smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3[C@@H](C)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000538608 210250175 /nfs/dbraw/zinc/25/01/75/210250175.db2.gz JGZZOTUMEGZYFB-PFFQYFBYSA-N 0 0 358.522 5.086 40 30 FKEBRN CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000677606 209373966 /nfs/dbraw/zinc/37/39/66/209373966.db2.gz GIVZHNSYSDUPLR-VWLOTQADSA-N 0 0 369.464 5.912 40 30 FKEBRN CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000677607 209374283 /nfs/dbraw/zinc/37/42/83/209374283.db2.gz GIVZHNSYSDUPLR-RUZDIDTESA-N 0 0 369.464 5.912 40 30 FKEBRN COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SC)n2)cc1 ZINC000000679118 219312416 /nfs/dbraw/zinc/31/24/16/219312416.db2.gz AVWAKXIETZGPLH-UHFFFAOYSA-N 0 0 366.873 5.671 40 30 FKEBRN CCOc1cccc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000000779704 219320183 /nfs/dbraw/zinc/32/01/83/219320183.db2.gz GWDKXVCOGWAEQR-ZVHZXABRSA-N 0 0 372.424 5.658 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(Br)cc2)cc1Br ZINC000000779821 219320767 /nfs/dbraw/zinc/32/07/67/219320767.db2.gz HHQGATULSNFLHT-RQZCQDPDSA-N 0 0 353.057 5.271 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000000792077 209376436 /nfs/dbraw/zinc/37/64/36/209376436.db2.gz GWCPBGBMRHUHIY-HKNSOBRKSA-N 0 0 374.937 5.402 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000000792080 219321522 /nfs/dbraw/zinc/32/15/22/219321522.db2.gz GWCPBGBMRHUHIY-HJQVIKLGSA-N 0 0 374.937 5.402 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000000793459 570762097 /nfs/dbraw/zinc/76/20/97/570762097.db2.gz VEMXKHSCFBAAHP-SRZZPIQSSA-N 0 0 354.793 5.876 40 30 FKEBRN COc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2C)c1O ZINC000000793503 219321902 /nfs/dbraw/zinc/32/19/02/219321902.db2.gz YBFZKTRJXLAVMG-ZMOGYAJESA-N 0 0 372.424 5.576 40 30 FKEBRN Cc1ccc2oc(-c3cccc(/N=C/c4ccc(O)cc4O)c3C)nc2c1 ZINC000000793655 570456526 /nfs/dbraw/zinc/45/65/26/570456526.db2.gz KGQBRWGMDPBDJN-FSJBWODESA-N 0 0 358.397 5.273 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3cccc([N+](=O)[O-])c3)o1)CCC2 ZINC000000793806 209375566 /nfs/dbraw/zinc/37/55/66/209375566.db2.gz CSZRJTODGPUULV-SRZZPIQSSA-N 0 0 363.398 5.027 40 30 FKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000000799762 219322861 /nfs/dbraw/zinc/32/28/61/219322861.db2.gz LWVFXPXVEWJYMB-ZVHZXABRSA-N 0 0 370.412 5.301 40 30 FKEBRN Oc1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(O)c1 ZINC000000802262 219323185 /nfs/dbraw/zinc/32/31/85/219323185.db2.gz XDCOZWUXZNESBT-SSDVNMTOSA-N 0 0 364.788 5.310 40 30 FKEBRN COc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000000802270 219323222 /nfs/dbraw/zinc/32/32/22/219323222.db2.gz SZHQYEKKLKQAFE-FSJBWODESA-N 0 0 362.360 5.099 40 30 FKEBRN COc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000000808991 206134808 /nfs/dbraw/zinc/13/48/08/206134808.db2.gz SKFRGOZDAZSDSS-UDWIEESQSA-N 0 0 356.219 5.468 40 30 FKEBRN CCOc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000000811430 219324823 /nfs/dbraw/zinc/32/48/23/219324823.db2.gz NYHKZRXJLJJDRP-FYJGNVAPSA-N 0 0 370.246 5.858 40 30 FKEBRN CCOc1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O ZINC000000821767 219327019 /nfs/dbraw/zinc/32/70/19/219327019.db2.gz RAZRVDMRKVUDID-ZVHZXABRSA-N 0 0 372.424 5.658 40 30 FKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)c(C)c3)nc2c1 ZINC000000824724 206134776 /nfs/dbraw/zinc/13/47/76/206134776.db2.gz BULSZARTUDTKGF-YDZHTSKRSA-N 0 0 371.396 5.770 40 30 FKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3ccc4cccc5ccc2c3c45)cc1 ZINC000000825444 209377045 /nfs/dbraw/zinc/37/70/45/209377045.db2.gz NOOASOLYHTZBJR-ZVHZXABRSA-N 0 0 350.377 6.243 40 30 FKEBRN CC(C)(C)c1ccc(O)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000000826556 219327683 /nfs/dbraw/zinc/32/76/83/219327683.db2.gz XDAHBLZGDOQIJQ-LPYMAVHISA-N 0 0 364.401 5.609 40 30 FKEBRN COc1ccccc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000828705 206133871 /nfs/dbraw/zinc/13/38/71/206133871.db2.gz KFPUWWZTHYEXFL-DEOSSOPVSA-N 0 0 355.437 5.522 40 30 FKEBRN COc1ccccc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000000828706 209376712 /nfs/dbraw/zinc/37/67/12/209376712.db2.gz KFPUWWZTHYEXFL-XMMPIXPASA-N 0 0 355.437 5.522 40 30 FKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccc(Br)cc1 ZINC000000829440 219328223 /nfs/dbraw/zinc/32/82/23/219328223.db2.gz KRTGAMWSPVKIET-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000000829508 206134619 /nfs/dbraw/zinc/13/46/19/206134619.db2.gz GDOSLNASCAUITE-OEAKJJBVSA-N 0 0 370.364 5.119 40 30 FKEBRN CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000833875 206134945 /nfs/dbraw/zinc/13/49/45/206134945.db2.gz FUXSVTREVQVZDE-VWLOTQADSA-N 0 0 368.480 5.579 40 30 FKEBRN CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2CCCC3=O)cc1 ZINC000000833877 209377964 /nfs/dbraw/zinc/37/79/64/209377964.db2.gz FUXSVTREVQVZDE-RUZDIDTESA-N 0 0 368.480 5.579 40 30 FKEBRN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)cc1 ZINC000000833879 206134397 /nfs/dbraw/zinc/13/43/97/206134397.db2.gz OUNMATVLBNNOMA-HSZRJFAPSA-N 0 0 359.856 6.167 40 30 FKEBRN O=C1CCCC2=C1c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)cc1 ZINC000000833881 209377928 /nfs/dbraw/zinc/37/79/28/209377928.db2.gz OUNMATVLBNNOMA-QHCPKHFHSA-N 0 0 359.856 6.167 40 30 FKEBRN N#Cc1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000843500 206135523 /nfs/dbraw/zinc/13/55/23/206135523.db2.gz HTLBTPGUZSSSTE-UHFFFAOYSA-N 0 0 364.404 5.738 40 30 FKEBRN COc1ccc(Cl)cc1-c1ccc(/C=C2/Sc3ccccc3C2=O)o1 ZINC000000843766 219329861 /nfs/dbraw/zinc/32/98/61/219329861.db2.gz VLTUBRVAAQIEEE-YBFXNURJSA-N 0 0 368.841 5.938 40 30 FKEBRN COc1ccc(-c2cc(-c3ccc(C)cc3)nc3sc(C#N)c(N)c32)cc1 ZINC000000849504 209379034 /nfs/dbraw/zinc/37/90/34/209379034.db2.gz XZCKSQIBBHRLIH-UHFFFAOYSA-N 0 0 371.465 5.401 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1cccc(O)c1 ZINC000000850325 210280724 /nfs/dbraw/zinc/28/07/24/210280724.db2.gz VBMJFGJBJSYXEK-HSZRJFAPSA-N 0 0 370.452 5.250 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1cccc(O)c1 ZINC000000850326 571293242 /nfs/dbraw/zinc/29/32/42/571293242.db2.gz VBMJFGJBJSYXEK-QHCPKHFHSA-N 0 0 370.452 5.250 40 30 FKEBRN COc1cccc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000000859581 209379049 /nfs/dbraw/zinc/37/90/49/209379049.db2.gz GPOKBHPZCYEIID-YDZHTSKRSA-N 0 0 358.397 5.268 40 30 FKEBRN COc1cccc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O ZINC000000864769 209378543 /nfs/dbraw/zinc/37/85/43/209378543.db2.gz WJNZDGGTKSQWHG-YDZHTSKRSA-N 0 0 358.397 5.268 40 30 FKEBRN COc1cccc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000000864775 219333590 /nfs/dbraw/zinc/33/35/90/219333590.db2.gz QYBRPZQOBKCKBN-YDZHTSKRSA-N 0 0 358.397 5.268 40 30 FKEBRN CCOc1cccc(/C=N/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1O ZINC000000865402 209378972 /nfs/dbraw/zinc/37/89/72/209378972.db2.gz JSPFQZCPEPKNBG-HYARGMPZSA-N 0 0 362.385 5.117 40 30 FKEBRN CC(C)(C)c1cc(Br)cc(/C=N/c2ccccc2C#N)c1O ZINC000000865480 206136604 /nfs/dbraw/zinc/13/66/04/206136604.db2.gz GFEYDMUHQSVHQR-SRZZPIQSSA-N 0 0 357.251 5.074 40 30 FKEBRN C[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)cc3)sc2C1 ZINC000000873330 219334547 /nfs/dbraw/zinc/33/45/47/219334547.db2.gz HYQGHDMXUYVPHG-KKBVUKDESA-N 0 0 359.292 5.258 40 30 FKEBRN C[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)cc3)sc2C1 ZINC000000873332 209380523 /nfs/dbraw/zinc/38/05/23/209380523.db2.gz HYQGHDMXUYVPHG-JZOCJUILSA-N 0 0 359.292 5.258 40 30 FKEBRN Cc1cc(C)c(C#N)c(SCC(=O)N(c2ccccc2)c2ccccc2)n1 ZINC000000888420 219336691 /nfs/dbraw/zinc/33/66/91/219336691.db2.gz YIMWIEKUTVKWGT-UHFFFAOYSA-N 0 0 373.481 5.027 40 30 FKEBRN Cc1ccc2cc(C#N)c(SCC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000000906828 209381517 /nfs/dbraw/zinc/38/15/17/209381517.db2.gz RNWYNQCILXQSDP-UHFFFAOYSA-N 0 0 352.846 5.043 40 30 FKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001020958 219354298 /nfs/dbraw/zinc/35/42/98/219354298.db2.gz VXIHVRQCXPENBG-LPYMAVHISA-N 0 0 357.369 5.462 40 30 FKEBRN CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(N(C)C)c1 ZINC000001021880 203972635 /nfs/dbraw/zinc/97/26/35/203972635.db2.gz NBEBQGBBQNYMJV-UHFFFAOYSA-N 0 0 369.472 5.040 40 30 FKEBRN Cc1ccc(C(=O)/C=C/Sc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001041922 570475442 /nfs/dbraw/zinc/47/54/42/570475442.db2.gz RTGDIBXWYLITMK-VOTSOKGWSA-N 0 0 357.784 5.551 40 30 FKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 ZINC000001050880 219359864 /nfs/dbraw/zinc/35/98/64/219359864.db2.gz KPABHBXUSARNKJ-DHLKQENFSA-N 0 0 359.513 5.598 40 30 FKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2 ZINC000001050881 219359658 /nfs/dbraw/zinc/35/96/58/219359658.db2.gz KPABHBXUSARNKJ-RCZVLFRGSA-N 0 0 359.513 5.598 40 30 FKEBRN N#Cc1c(SCc2cccs2)nc(-c2ccccn2)c2c1CCCC2 ZINC000001070239 203979985 /nfs/dbraw/zinc/97/99/85/203979985.db2.gz KTXAMSCHLHMRLH-UHFFFAOYSA-N 0 0 363.511 5.248 40 30 FKEBRN Cc1ccc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001080624 132303703 /nfs/dbraw/zinc/30/37/03/132303703.db2.gz MERYMFYEUXWOLK-KRWDZBQOSA-N 0 0 365.498 5.220 40 30 FKEBRN Cc1ccc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000001080625 132303733 /nfs/dbraw/zinc/30/37/33/132303733.db2.gz MERYMFYEUXWOLK-QGZVFWFLSA-N 0 0 365.498 5.220 40 30 FKEBRN O=C(/C=C/c1ccccc1)C(C(=O)c1ccccc1)=C1SCCCS1 ZINC000001083777 219366311 /nfs/dbraw/zinc/36/63/11/219366311.db2.gz HQXLGULPGWKFPZ-OUKQBFOZSA-N 0 0 366.507 5.234 40 30 FKEBRN O=C(/C=C/C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 ZINC000001086636 132380138 /nfs/dbraw/zinc/38/01/38/132380138.db2.gz ZAEHIFFECNFNIP-CCEZHUSRSA-N 0 0 357.434 5.255 40 30 FKEBRN CCC[C@@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000001088028 571145924 /nfs/dbraw/zinc/14/59/24/571145924.db2.gz QNIYKKYOYLLYEY-LLVKDONJSA-N 0 0 354.397 5.821 40 30 FKEBRN CCC[C@H](C)Sc1nc(-c2ccc(C)o2)cc(C(F)(F)F)c1C#N ZINC000001088029 210314586 /nfs/dbraw/zinc/31/45/86/210314586.db2.gz QNIYKKYOYLLYEY-NSHDSACASA-N 0 0 354.397 5.821 40 30 FKEBRN COc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1Cl ZINC000001088489 571145892 /nfs/dbraw/zinc/14/58/92/571145892.db2.gz ZZLQPMXFTDXNQQ-UHFFFAOYSA-N 0 0 362.820 5.073 40 30 FKEBRN COc1cc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O ZINC000001093439 570764596 /nfs/dbraw/zinc/76/45/96/570764596.db2.gz BUKSWCNDDUNPLJ-DHRITJCHSA-N 0 0 372.468 5.288 40 30 FKEBRN Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Br)cc1 ZINC000001093681 568238841 /nfs/dbraw/zinc/23/88/41/568238841.db2.gz YCMGIKXQYOLNDT-UDWIEESQSA-N 0 0 354.251 5.002 40 30 FKEBRN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000001105307 210316614 /nfs/dbraw/zinc/31/66/14/210316614.db2.gz BPFPYSNNJCEBLS-WQRHYEAKSA-N 0 0 372.367 6.295 40 30 FKEBRN Cc1ccc(O)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000001107660 571310175 /nfs/dbraw/zinc/31/01/75/571310175.db2.gz AHGUBYTXFZGAIO-FSJBWODESA-N 0 0 358.353 5.436 40 30 FKEBRN C=CCc1cc(C=O)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000001177028 219385134 /nfs/dbraw/zinc/38/51/34/219385134.db2.gz AEPMTPFDECQSGD-UHFFFAOYSA-N 0 0 351.229 5.122 40 30 FKEBRN Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)c(C#N)cc2c1 ZINC000001222327 571172517 /nfs/dbraw/zinc/17/25/17/571172517.db2.gz KRCUHXBIFHJHTF-UHFFFAOYSA-N 0 0 352.846 5.043 40 30 FKEBRN Cc1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000001225536 206145809 /nfs/dbraw/zinc/14/58/09/206145809.db2.gz HYMYHVWDCAAIKH-MFKUBSTISA-N 0 0 355.416 5.737 40 30 FKEBRN Clc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000001231164 570764152 /nfs/dbraw/zinc/76/41/52/570764152.db2.gz IEQAFQSBIJLYMG-OEAKJJBVSA-N 0 0 359.816 5.808 40 30 FKEBRN Oc1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn21 ZINC000001231416 219390969 /nfs/dbraw/zinc/39/09/69/219390969.db2.gz AOMHYVJDMBHEJK-UFFVCSGVSA-N 0 0 372.211 5.357 40 30 FKEBRN Brc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001233791 219391713 /nfs/dbraw/zinc/39/17/13/219391713.db2.gz HNXPEXYNYOJXEU-KGENOOAVSA-N 0 0 352.231 5.992 40 30 FKEBRN Brc1ccc(-c2csc(N=NC3CCCCC3)n2)cc1 ZINC000001261840 210075076 /nfs/dbraw/zinc/07/50/76/210075076.db2.gz KPUQBDCDOIKXJK-UHFFFAOYSA-N 0 0 350.285 5.305 40 30 FKEBRN Cc1cc2nc(-c3ccc(SCc4ccc(C#N)cc4)nc3)[nH]c2cc1C ZINC000001329607 209386958 /nfs/dbraw/zinc/38/69/58/209386958.db2.gz YANBHHBLZHYGLA-UHFFFAOYSA-N 0 0 370.481 5.406 40 30 aggregator FKEBRN Cc1cc2nc(-c3ccc(SCc4ccccc4C#N)nc3)[nH]c2cc1C ZINC000001329786 219395675 /nfs/dbraw/zinc/39/56/75/219395675.db2.gz GJBUWOBBKMDOGW-UHFFFAOYSA-N 0 0 370.481 5.406 40 30 aggregator FKEBRN N#Cc1c2c(sc1/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)CCC2 ZINC000001424131 571073442 /nfs/dbraw/zinc/07/34/42/571073442.db2.gz NXNABDJAJLZKOM-FBCYGCLPSA-N 0 0 366.229 5.074 40 30 FKEBRN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000001430949 206882346 /nfs/dbraw/zinc/88/23/46/206882346.db2.gz GPCRNDTWOFHUAA-OEAKJJBVSA-N 0 0 356.381 5.032 40 30 FKEBRN O=C(Oc1ccc(/C=N/c2ccc(O)cc2)cc1)c1ccccc1Cl ZINC000001431115 526438643 /nfs/dbraw/zinc/43/86/43/526438643.db2.gz KISNODSOWWCOSA-LPYMAVHISA-N 0 0 351.789 5.015 40 30 FKEBRN O=[N+]([O-])c1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000001433477 571064609 /nfs/dbraw/zinc/06/46/09/571064609.db2.gz POPIMYCJUFLBSH-LPYMAVHISA-N 0 0 350.349 5.064 40 30 FKEBRN Oc1c(F)cccc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000001434415 570499492 /nfs/dbraw/zinc/49/94/92/570499492.db2.gz QTIMFNYUMINJIE-FOKLQQMPSA-N 0 0 366.779 5.744 40 30 FKEBRN COC(=O)c1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000001435008 571064748 /nfs/dbraw/zinc/06/47/48/571064748.db2.gz QOUTULSUUKSZAY-OEAKJJBVSA-N 0 0 356.381 5.032 40 30 FKEBRN COC(=O)c1ccc(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)cc1 ZINC000001435262 210352706 /nfs/dbraw/zinc/35/27/06/210352706.db2.gz VPRXBADWYGYBFS-ZVHZXABRSA-N 0 0 370.408 5.340 40 30 FKEBRN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001435479 206882051 /nfs/dbraw/zinc/88/20/51/206882051.db2.gz RLLLCBZQRMLDMF-OEAKJJBVSA-N 0 0 370.364 5.119 40 30 FKEBRN Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000001436307 570499965 /nfs/dbraw/zinc/49/99/65/570499965.db2.gz 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519948570 /nfs/dbraw/zinc/94/85/70/519948570.db2.gz SQTQTVBHUBEHGX-NTCAYCPXSA-N 0 0 356.893 6.472 40 30 FKEBRN CCCCCCC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000001572426 519948646 /nfs/dbraw/zinc/94/86/46/519948646.db2.gz WBAONCHOBJOYPA-NTCAYCPXSA-N 0 0 367.445 5.727 40 30 FKEBRN CCCCC[C@@H](CSCC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001573417 520291241 /nfs/dbraw/zinc/29/12/41/520291241.db2.gz JUSWCYBUGDBLAE-GDXASINISA-N 0 0 359.362 6.525 40 30 FKEBRN CCCCC[C@H](CSCC)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001573419 520313439 /nfs/dbraw/zinc/31/34/39/520313439.db2.gz JUSWCYBUGDBLAE-SLZMIMFISA-N 0 0 359.362 6.525 40 30 FKEBRN CCCCc1ccc(NC(=O)On2c3ccccc3c3ccccc32)cc1 ZINC000001574622 521281753 /nfs/dbraw/zinc/28/17/53/521281753.db2.gz ADTURJBNPGLBDV-UHFFFAOYSA-N 0 0 358.441 5.798 40 30 FKEBRN CCCCCCC(=O)/C=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000001575867 519948416 /nfs/dbraw/zinc/94/84/16/519948416.db2.gz URKLWGCRHYRYMK-BUHFOSPRSA-N 0 0 356.893 6.472 40 30 FKEBRN 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367.489 6.277 40 30 FKEBRN CCCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001599490 570502621 /nfs/dbraw/zinc/50/26/21/570502621.db2.gz JSYXGTQDOYHOPZ-UHFFFAOYSA-N 0 0 352.474 5.830 40 30 FKEBRN N#CCC(CC#N)C(c1cccc2ccccc21)c1cccc2ccccc21 ZINC000001600045 570502657 /nfs/dbraw/zinc/50/26/57/570502657.db2.gz AONXIOAGUPVPNZ-UHFFFAOYSA-N 0 0 360.460 6.568 40 30 FKEBRN CCCCCCCCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001602599 520045198 /nfs/dbraw/zinc/04/51/98/520045198.db2.gz NTZLWRSKJZIJEH-UHFFFAOYSA-N 0 0 373.562 5.379 40 30 FKEBRN c1csc(/C(=N\N=C(/c2cccs2)c2ccccc2)c2ccccc2)c1 ZINC000001603872 204013061 /nfs/dbraw/zinc/01/30/61/204013061.db2.gz RYRZNIKWTXINJZ-SXAUZNKPSA-N 0 0 372.518 6.100 40 30 FKEBRN CCCCc1ccc(C2=CC(=O)C(c3ccc(CCCC)cc3)=CC2=O)cc1 ZINC000001610683 521271084 /nfs/dbraw/zinc/27/10/84/521271084.db2.gz AJQVMIVEYHNFSR-UHFFFAOYSA-N 0 0 372.508 5.991 40 30 FKEBRN ClC(Cl)(Cl)C(N=Nc1ccccc1)C(Cl)(Cl)Cl ZINC000001610955 204013244 /nfs/dbraw/zinc/01/32/44/204013244.db2.gz 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132382342 /nfs/dbraw/zinc/38/23/42/132382342.db2.gz YMJVDQPVOFGMSI-UHFFFAOYSA-N 0 0 369.464 5.578 40 30 FKEBRN O=C1/C(=C\c2ccc(Cl)cc2)CSC/C1=C\c1ccc(Cl)cc1 ZINC000001643659 204015389 /nfs/dbraw/zinc/01/53/89/204015389.db2.gz NUUZUMOYGRIQFX-CKOAPEAFSA-N 0 0 361.293 5.776 40 30 FKEBRN C[C@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)Oc1ccccc1 ZINC000001647927 525138061 /nfs/dbraw/zinc/13/80/61/525138061.db2.gz FUWLTBFRTDYGSY-DEOSSOPVSA-N 0 0 370.452 5.169 40 30 FKEBRN CC[C@@](C#N)(c1ccccc1)N(CCc1ccccc1)C(=O)c1ccccc1 ZINC000001647929 210364673 /nfs/dbraw/zinc/36/46/73/210364673.db2.gz AHWYAIGADCNSTP-RUZDIDTESA-N 0 0 368.480 5.201 40 30 FKEBRN O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000001649610 210363311 /nfs/dbraw/zinc/36/33/11/210363311.db2.gz IMLOAMSUXFEQKT-AXOLISODSA-N 0 0 359.252 5.919 40 30 FKEBRN CCCCCCCCCCNc1nc(N)nc(Nc2ccc(C)cc2)n1 ZINC000001653047 520020033 /nfs/dbraw/zinc/02/00/33/520020033.db2.gz XJZBUZGUQSOSJK-UHFFFAOYSA-N 0 0 356.518 5.058 40 30 FKEBRN 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372.295 6.385 40 30 FKEBRN C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000004975171 206189124 /nfs/dbraw/zinc/18/91/24/206189124.db2.gz ZFIQRFCKNBMEDW-LRDNONRASA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccccc1[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004975172 570676132 /nfs/dbraw/zinc/67/61/32/570676132.db2.gz ZFIQRFCKNBMEDW-YRVVQQKDSA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000004975173 206187763 /nfs/dbraw/zinc/18/77/63/206187763.db2.gz ZFIQRFCKNBMEDW-PJSUUKDQSA-N 0 0 372.295 6.385 40 30 FKEBRN N#CCOc1ccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004975186 209433260 /nfs/dbraw/zinc/43/32/60/209433260.db2.gz ACERGHXZQNGUCY-QMTMVMCOSA-N 0 0 371.267 5.722 40 30 FKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004975188 570676102 /nfs/dbraw/zinc/67/61/02/570676102.db2.gz ACERGHXZQNGUCY-KHYOSLBOSA-N 0 0 371.267 5.722 40 30 FKEBRN 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ZINC000005007358 570675137 /nfs/dbraw/zinc/67/51/37/570675137.db2.gz YPYPGKUSPAJHTM-UHFFFAOYSA-N 0 0 362.502 5.156 40 30 FKEBRN COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccc(F)cc1 ZINC000005007381 263338049 /nfs/dbraw/zinc/33/80/49/263338049.db2.gz BZHLMTRMEIEVLC-NTUHNPAUSA-N 0 0 362.400 5.309 40 30 FKEBRN COc1ccc(/C=C/C(=O)c2ccccc2)cc1COc1ccccc1F ZINC000005007382 263337919 /nfs/dbraw/zinc/33/79/19/263337919.db2.gz KXRDJMHKPJFNEN-ACCUITESSA-N 0 0 362.400 5.309 40 30 aggregator FKEBRN CCN(CC)c1ccc(/C=C\C(=O)c2ccc(N(CC)CC)cc2)cc1 ZINC000005012002 219639465 /nfs/dbraw/zinc/63/94/65/219639465.db2.gz FJLAFBORFDOARE-WQRHYEAKSA-N 0 0 350.506 5.275 40 30 FKEBRN CCCC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 ZINC000005017844 570676956 /nfs/dbraw/zinc/67/69/56/570676956.db2.gz NKGBHYNTIDDQHG-XSFVSMFZSA-N 0 0 361.923 6.141 40 30 FKEBRN N#C[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005028400 207073536 /nfs/dbraw/zinc/07/35/36/207073536.db2.gz VHRUTNANODBVQT-AREMUKBSSA-N 0 0 359.472 6.328 40 30 FKEBRN CC(=CC[C@@H]1C(C)=CCCC1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005029159 570618810 /nfs/dbraw/zinc/61/88/10/570618810.db2.gz HVECIOWVJFWABA-ABOMCFJFSA-N 0 0 372.425 5.230 40 30 FKEBRN COc1ccc2nc(-c3ccccc3)cc(C(=O)/C=C\c3ccccc3)c2c1 ZINC000005030169 570618820 /nfs/dbraw/zinc/61/88/20/570618820.db2.gz MDRMHMMMACKXIB-QINSGFPZSA-N 0 0 365.432 5.807 40 30 FKEBRN C(=N\N(c1ccccc1)c1ccccc1)\C(c1ccccc1)c1ccccc1 ZINC000005030510 219642241 /nfs/dbraw/zinc/64/22/41/219642241.db2.gz QAWQNQLKQKULMZ-MEFGMAGPSA-N 0 0 362.476 6.643 40 30 FKEBRN O=[N+]([O-])c1ccc(Cl)cc1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000005031747 204186476 /nfs/dbraw/zinc/18/64/76/204186476.db2.gz MAAVYRFWYFYVNJ-UUYOSTAYSA-N 0 0 361.788 5.100 40 30 FKEBRN Clc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1Cl ZINC000005031756 207073508 /nfs/dbraw/zinc/07/35/08/207073508.db2.gz MHIBUFAKGGNVRG-FMCGGJTJSA-N 0 0 351.236 5.845 40 30 FKEBRN O=[N+]([O-])c1cc(/C=N\N=C2c3ccccc3-c3ccccc32)ccc1Cl ZINC000005031763 204186558 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/nfs/dbraw/zinc/33/76/21/204337621.db2.gz YSTDIKUIUMSQMQ-VZWFNZPKSA-N 0 0 374.267 6.164 40 30 FKEBRN Clc1ccccc1CN/N=C/c1ccccc1OCc1ccccc1 ZINC000008811280 571302146 /nfs/dbraw/zinc/30/21/46/571302146.db2.gz SDCPKBICFIXHMU-BUVRLJJBSA-N 0 0 350.849 5.043 40 30 FKEBRN Clc1ccccc1CN/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000008811315 571302113 /nfs/dbraw/zinc/30/21/13/571302113.db2.gz UGWXPAUZLGZTJB-OEAKJJBVSA-N 0 0 350.849 5.043 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 ZINC000008811324 571302109 /nfs/dbraw/zinc/30/21/09/571302109.db2.gz YIZNLPZFAPNFLG-ZVHZXABRSA-N 0 0 364.876 5.351 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1Cl ZINC000008811478 570787068 /nfs/dbraw/zinc/78/70/68/570787068.db2.gz JJBUEFQIPQVSPX-FSJBWODESA-N 0 0 359.256 5.686 40 30 FKEBRN CC(C)Oc1ccc(/C=N/NCc2ccccc2Cl)c(OC(C)C)c1 ZINC000008811520 570786675 /nfs/dbraw/zinc/78/66/75/570786675.db2.gz WFKJDROOYFRPJR-YDZHTSKRSA-N 0 0 360.885 5.038 40 30 FKEBRN Clc1ccccc1CN/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000008811549 571302131 /nfs/dbraw/zinc/30/21/31/571302131.db2.gz RWQBVNSRFATQOM-CVKSISIWSA-N 0 0 373.887 5.467 40 30 FKEBRN CCCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl ZINC000008811583 570789947 /nfs/dbraw/zinc/78/99/47/570789947.db2.gz DZUZUPDGJZCXCV-BUVRLJJBSA-N 0 0 352.865 5.406 40 30 FKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl ZINC000008811585 570789976 /nfs/dbraw/zinc/78/99/76/570789976.db2.gz IMPISEDPRCFAKO-ZVHZXABRSA-N 0 0 352.865 5.404 40 30 FKEBRN Clc1ccccc1CN/N=C/c1cccc(OCc2ccccc2)c1 ZINC000008811595 570790008 /nfs/dbraw/zinc/79/00/08/570790008.db2.gz FAYDAHPLKHWVQA-OEAKJJBVSA-N 0 0 350.849 5.043 40 30 FKEBRN Cc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 ZINC000008811608 571302151 /nfs/dbraw/zinc/30/21/51/571302151.db2.gz JNMKMMBBBYYIOP-ZVHZXABRSA-N 0 0 364.876 5.351 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1C ZINC000008811663 571302149 /nfs/dbraw/zinc/30/21/49/571302149.db2.gz SZPKIKUOIUIFPO-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(C)c1 ZINC000008811664 571302112 /nfs/dbraw/zinc/30/21/12/571302112.db2.gz DYZIDRDZDJTIHK-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(C)cc1 ZINC000008811666 571302155 /nfs/dbraw/zinc/30/21/55/571302155.db2.gz UZQFEHYKXFDWOG-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000008811668 571302128 /nfs/dbraw/zinc/30/21/28/571302128.db2.gz PSHMDUFBNVNFKD-ZMOGYAJESA-N 0 0 355.844 5.010 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccccc1Cl ZINC000008811669 570790003 /nfs/dbraw/zinc/79/00/03/570790003.db2.gz CKXWZNOMGZFWTI-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 ZINC000008811670 570790512 /nfs/dbraw/zinc/79/05/12/570790512.db2.gz ZLYMUWZOELLQIF-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000008811672 570790950 /nfs/dbraw/zinc/79/09/50/570790950.db2.gz NVZWTZUFFPPFMW-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Fc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811751 571302150 /nfs/dbraw/zinc/30/21/50/571302150.db2.gz HEWNKGRDFOXUFK-AFUMVMLFSA-N 0 0 368.839 5.182 40 30 FKEBRN Cc1ccc(COc2ccccc2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811755 571302137 /nfs/dbraw/zinc/30/21/37/571302137.db2.gz OWBHTEIGGWNXOH-MFKUBSTISA-N 0 0 364.876 5.351 40 30 FKEBRN Fc1ccc(COc2ccc(/C=N/NCc3ccccc3Cl)cc2)cc1 ZINC000008811816 571302157 /nfs/dbraw/zinc/30/21/57/571302157.db2.gz IPSIDWYWJFXEPS-ZMOGYAJESA-N 0 0 368.839 5.182 40 30 FKEBRN Fc1ccc(COc2cccc(/C=N/NCc3ccccc3Cl)c2)cc1 ZINC000008811834 571302143 /nfs/dbraw/zinc/30/21/43/571302143.db2.gz QLQMCAASPQLCBJ-ZMOGYAJESA-N 0 0 368.839 5.182 40 30 FKEBRN C=CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl ZINC000008811978 571302117 /nfs/dbraw/zinc/30/21/17/571302117.db2.gz JSVAJRLJIJLGCD-BUVRLJJBSA-N 0 0 350.849 5.182 40 30 FKEBRN CCCCCCCCCCCCCCCCOC[C@@H](CO)OC(C)=O ZINC000008860484 570689283 /nfs/dbraw/zinc/68/92/83/570689283.db2.gz QTEHGUUSIIWOOW-OAQYLSRUSA-N 0 0 358.563 5.408 40 30 FKEBRN CCCCCCCCCCCCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000008860504 519987807 /nfs/dbraw/zinc/98/78/07/519987807.db2.gz YLAZEWZHIRBZDA-REWPJTCUSA-N 0 0 361.570 5.926 40 30 FKEBRN C=CCOc1cccc(NC(=O)c2ccccc2OCc2ccccc2)c1 ZINC000008904985 206731244 /nfs/dbraw/zinc/73/12/44/206731244.db2.gz QVJZLKOXCPSJNL-UHFFFAOYSA-N 0 0 359.425 5.083 40 30 FKEBRN Cc1sc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000009142091 263360356 /nfs/dbraw/zinc/36/03/56/263360356.db2.gz SWOHTRUBXBIHLU-UHFFFAOYSA-N 0 0 356.834 5.402 40 30 FKEBRN Cc1sc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C ZINC000009142106 263359990 /nfs/dbraw/zinc/35/99/90/263359990.db2.gz KMPRHHSANFLSQP-UHFFFAOYSA-N 0 0 356.834 5.402 40 30 FKEBRN N#Cc1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 ZINC000009142110 263360121 /nfs/dbraw/zinc/36/01/21/263360121.db2.gz VJMGVUTXODVMFN-UHFFFAOYSA-N 0 0 352.846 5.167 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009194959 207261686 /nfs/dbraw/zinc/26/16/86/207261686.db2.gz MEAKUVDMEWTQNE-AWQFTUOYSA-N 0 0 357.668 5.169 40 30 FKEBRN Fc1ccc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)cc1 ZINC000009195596 207261392 /nfs/dbraw/zinc/26/13/92/207261392.db2.gz ZAXZXDNIGQQCFT-LSHDLFTRSA-N 0 0 363.219 5.516 40 30 FKEBRN N#Cc1ccccc1-c1ccc(/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009195600 263360217 /nfs/dbraw/zinc/36/02/17/263360217.db2.gz BWEQAUAXQLZDAL-FOKLQQMPSA-N 0 0 370.239 5.249 40 30 FKEBRN Cc1ccc(/C=N/NCc2c(Cl)cccc2Cl)cc1Br ZINC000009195917 204358434 /nfs/dbraw/zinc/35/84/34/204358434.db2.gz OIWURZSRODZJIC-UFWORHAWSA-N 0 0 372.093 5.188 40 30 FKEBRN CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009195981 204358169 /nfs/dbraw/zinc/35/81/69/204358169.db2.gz UCCLUPGQNGDEOT-SSDVNMTOSA-N 0 0 360.288 5.400 40 30 FKEBRN C=CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009196000 263360087 /nfs/dbraw/zinc/36/00/87/263360087.db2.gz LDCQAZDFCDWBRG-SSDVNMTOSA-N 0 0 358.272 5.258 40 30 FKEBRN C=CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009196014 263359761 /nfs/dbraw/zinc/35/97/61/263359761.db2.gz PVZHOOBPXCZYSK-FSJBWODESA-N 0 0 372.299 5.566 40 30 FKEBRN C#CCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009196022 207261375 /nfs/dbraw/zinc/26/13/75/207261375.db2.gz URESWAWPLBCOIK-FSJBWODESA-N 0 0 370.283 5.013 40 30 FKEBRN COc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196104 570692609 /nfs/dbraw/zinc/69/26/09/570692609.db2.gz IFRSZFJONVMFAT-SSDVNMTOSA-N 0 0 359.256 5.279 40 30 FKEBRN CCOc1ccc2ccccc2c1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196110 570692579 /nfs/dbraw/zinc/69/25/79/570692579.db2.gz UQCRJWCQWBVOMM-FSJBWODESA-N 0 0 373.283 5.669 40 30 FKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1 ZINC000009196411 570692615 /nfs/dbraw/zinc/69/26/15/570692615.db2.gz ZOQBDIJAKCFYAB-FSJBWODESA-N 0 0 372.299 5.525 40 30 FKEBRN CCCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196794 263360054 /nfs/dbraw/zinc/36/00/54/263360054.db2.gz OGBLKJPKRYYEPY-UFFVCSGVSA-N 0 0 371.695 5.559 40 30 FKEBRN CC(C)Oc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196801 204358188 /nfs/dbraw/zinc/35/81/88/204358188.db2.gz SYWGFJOAPOUJHU-ZVBGSRNCSA-N 0 0 371.695 5.558 40 30 FKEBRN C=CCOc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196806 570692635 /nfs/dbraw/zinc/69/26/35/570692635.db2.gz WJTZGBFZXIZOLP-UFFVCSGVSA-N 0 0 369.679 5.335 40 30 FKEBRN CCCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009197709 263360010 /nfs/dbraw/zinc/36/00/10/263360010.db2.gz WDCVJHOVUCCBAY-SSDVNMTOSA-N 0 0 360.288 5.482 40 30 FKEBRN CC(C)n1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009197715 570692664 /nfs/dbraw/zinc/69/26/64/570692664.db2.gz RZZPMDVNLBUHNC-LSHDLFTRSA-N 0 0 360.288 5.653 40 30 FKEBRN CCCn1c(C)c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009197854 263360321 /nfs/dbraw/zinc/36/03/21/263360321.db2.gz ZQDMPNSKTSHDRF-FSJBWODESA-N 0 0 374.315 5.790 40 30 FKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1C(C)C ZINC000009197860 570692641 /nfs/dbraw/zinc/69/26/41/570692641.db2.gz CYRZCWGDYYURDX-FOKLQQMPSA-N 0 0 374.315 5.961 40 30 FKEBRN Clc1ccc(CN/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000010118681 571302816 /nfs/dbraw/zinc/30/28/16/571302816.db2.gz CBGRPVOQGVURHX-BUVRLJJBSA-N 0 0 350.849 5.043 40 30 FKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000010118704 571302789 /nfs/dbraw/zinc/30/27/89/571302789.db2.gz YFZXKRCSVJUVLT-BUVRLJJBSA-N 0 0 350.849 5.043 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 ZINC000010118712 571302841 /nfs/dbraw/zinc/30/28/41/571302841.db2.gz NOZFTXQJHFJYSS-MFKUBSTISA-N 0 0 364.876 5.351 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)cc1Cl ZINC000010118819 570813378 /nfs/dbraw/zinc/81/33/78/570813378.db2.gz SXTBTXLUZLPEMH-FSJBWODESA-N 0 0 359.256 5.686 40 30 FKEBRN CC(C)Oc1ccc(/C=N/NCc2ccc(Cl)cc2)c(OC(C)C)c1 ZINC000010118851 570813376 /nfs/dbraw/zinc/81/33/76/570813376.db2.gz CWHJOWISLCRPEE-YDZHTSKRSA-N 0 0 360.885 5.038 40 30 FKEBRN Clc1ccc(CN/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000010118870 571302770 /nfs/dbraw/zinc/30/27/70/571302770.db2.gz BUBNXCSDZHYYEV-CVKSISIWSA-N 0 0 373.887 5.467 40 30 FKEBRN CCCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 ZINC000010118885 570813898 /nfs/dbraw/zinc/81/38/98/570813898.db2.gz UBQJNQCEFOEHQW-BUVRLJJBSA-N 0 0 352.865 5.406 40 30 FKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 ZINC000010118886 570814286 /nfs/dbraw/zinc/81/42/86/570814286.db2.gz YWBCQDILKVFRKV-ZVHZXABRSA-N 0 0 352.865 5.404 40 30 FKEBRN Clc1ccc(CN/N=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000010118890 571302827 /nfs/dbraw/zinc/30/28/27/571302827.db2.gz XQQSXJLNXSPCOX-BUVRLJJBSA-N 0 0 350.849 5.043 40 30 FKEBRN Cc1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 ZINC000010118897 571302803 /nfs/dbraw/zinc/30/28/03/571302803.db2.gz NQMRDIPOROQGEY-MFKUBSTISA-N 0 0 364.876 5.351 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1C ZINC000010118934 571302780 /nfs/dbraw/zinc/30/27/80/571302780.db2.gz NMOSBJFLPNNSOX-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(C)c1 ZINC000010118935 571302825 /nfs/dbraw/zinc/30/28/25/571302825.db2.gz YDIGEIJCQRTDOY-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(C)cc1 ZINC000010118936 571302785 /nfs/dbraw/zinc/30/27/85/571302785.db2.gz AAGWKLCBPAAFJW-ZVHZXABRSA-N 0 0 351.881 5.180 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 ZINC000010118938 571302784 /nfs/dbraw/zinc/30/27/84/571302784.db2.gz PBGJTKUODPRZFM-ZMOGYAJESA-N 0 0 355.844 5.010 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl ZINC000010118939 570814424 /nfs/dbraw/zinc/81/44/24/570814424.db2.gz REHFJCQWIVDVFM-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000010118940 570814250 /nfs/dbraw/zinc/81/42/50/570814250.db2.gz OCJHOSPDIFCQAV-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Cc1cc(/C=N/NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000010118941 570814220 /nfs/dbraw/zinc/81/42/20/570814220.db2.gz GIOPEXUJTVPKGE-ZMOGYAJESA-N 0 0 372.299 5.525 40 30 FKEBRN Fc1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010118989 571302812 /nfs/dbraw/zinc/30/28/12/571302812.db2.gz VFWNUCGMCQUTEB-AFUMVMLFSA-N 0 0 368.839 5.182 40 30 FKEBRN Cc1ccc(COc2ccccc2/C=N/NCc2ccc(Cl)cc2)cc1 ZINC000010118991 571302854 /nfs/dbraw/zinc/30/28/54/571302854.db2.gz OASKATQYTHLOEX-MFKUBSTISA-N 0 0 364.876 5.351 40 30 FKEBRN Fc1ccc(COc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)cc1 ZINC000010119023 571302782 /nfs/dbraw/zinc/30/27/82/571302782.db2.gz ASMKBHZDOZCQQD-AFUMVMLFSA-N 0 0 368.839 5.182 40 30 FKEBRN Fc1ccc(COc2cccc(/C=N/NCc3ccc(Cl)cc3)c2)cc1 ZINC000010119034 571302811 /nfs/dbraw/zinc/30/28/11/571302811.db2.gz UYJLVJJAHOIGMR-AFUMVMLFSA-N 0 0 368.839 5.182 40 30 FKEBRN C=CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 ZINC000010119134 571302809 /nfs/dbraw/zinc/30/28/09/571302809.db2.gz RNZQJBZTSGTTPE-BUVRLJJBSA-N 0 0 350.849 5.182 40 30 FKEBRN N#CCc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 ZINC000010363958 571303155 /nfs/dbraw/zinc/30/31/55/571303155.db2.gz XTIWVESOUPWIAJ-UHFFFAOYSA-N 0 0 358.466 5.297 40 30 FKEBRN C=CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000010472905 571115434 /nfs/dbraw/zinc/11/54/34/571115434.db2.gz MXLCKXSWGJNUBR-UHFFFAOYSA-N 0 0 359.425 5.083 40 30 FKEBRN C=CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000010472947 210136794 /nfs/dbraw/zinc/13/67/94/210136794.db2.gz VYCPXOOEYOSNOQ-UHFFFAOYSA-N 0 0 359.425 5.083 40 30 FKEBRN CC(N=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1 ZINC000011566379 570805636 /nfs/dbraw/zinc/80/56/36/570805636.db2.gz POTOWSRTENORGV-KOEQRZSOSA-N 0 0 369.493 6.313 40 30 FKEBRN COc1cc(C#N)cc(Br)c1OCc1cccc2ccccc21 ZINC000011833816 210101394 /nfs/dbraw/zinc/10/13/94/210101394.db2.gz JQABANUWFCDKJU-UHFFFAOYSA-N 0 0 368.230 5.062 40 30 FKEBRN CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011864643 570710448 /nfs/dbraw/zinc/71/04/48/570710448.db2.gz UCDFVJIWJUKOQD-DNTJNYDQSA-N 0 0 374.651 5.433 40 30 FKEBRN COc1cc(/C=N/O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011946786 570807802 /nfs/dbraw/zinc/80/78/02/570807802.db2.gz MISLRQQIELEHRC-FBCYGCLPSA-N 0 0 360.624 5.043 40 30 FKEBRN CCCCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000011991757 571310541 /nfs/dbraw/zinc/31/05/41/571310541.db2.gz YJCREHSQVXHCIL-HYARGMPZSA-N 0 0 365.502 5.165 40 30 FKEBRN Cc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)cc1 ZINC000011991930 571310509 /nfs/dbraw/zinc/31/05/09/571310509.db2.gz VUZCBRIHGNSPFV-VXLYETTFSA-N 0 0 372.291 5.327 40 30 FKEBRN COc1ccc2ccccc2c1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000011991988 263369314 /nfs/dbraw/zinc/36/93/14/263369314.db2.gz OJJZCQMQCKAYGV-YDZHTSKRSA-N 0 0 373.481 5.148 40 30 FKEBRN CCCCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000011992230 263369240 /nfs/dbraw/zinc/36/92/40/263369240.db2.gz SEJFORKKOJIGMS-HYARGMPZSA-N 0 0 365.502 5.165 40 30 FKEBRN CCCCCOc1ccccc1CN=Nc1nc(-c2ccccc2)cs1 ZINC000011992240 263369516 /nfs/dbraw/zinc/36/95/16/263369516.db2.gz PCLIQHZKGXZVFG-PXLXIMEGSA-N 0 0 365.502 5.825 40 30 FKEBRN N#Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000011994135 210101761 /nfs/dbraw/zinc/10/17/61/210101761.db2.gz KNBAGUYPPFNABQ-UHFFFAOYSA-N 0 0 357.034 5.207 40 30 FKEBRN CCOc1ccc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1 ZINC000012032567 570714893 /nfs/dbraw/zinc/71/48/93/570714893.db2.gz MBJQCVRMLRNCOX-ZHZULCJRSA-N 0 0 374.465 5.130 40 30 FKEBRN COc1ccc(C(=O)C=C(CC(=O)c2ccc(F)cc2)c2ccccc2)cc1 ZINC000012339461 570738257 /nfs/dbraw/zinc/73/82/57/570738257.db2.gz CJEZJTZTUREGTA-CAPFRKAQSA-N 0 0 374.411 5.374 40 30 FKEBRN Brc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000012403693 210951752 /nfs/dbraw/zinc/95/17/52/210951752.db2.gz PIVATZDYQKKODX-BZROTZBESA-N 0 0 364.246 6.615 40 30 FKEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1 ZINC000012466426 571322481 /nfs/dbraw/zinc/32/24/81/571322481.db2.gz GWCRIJXFHJDDAE-DOVHKXGHSA-N 0 0 362.502 5.079 40 30 FKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1cccc(C(F)(F)F)c1 ZINC000012524936 204470258 /nfs/dbraw/zinc/47/02/58/204470258.db2.gz VJBATVBQGPKNGV-BHGWPJFGSA-N 0 0 363.770 5.743 40 30 FKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1ccccc1OC(F)F ZINC000012525021 204469954 /nfs/dbraw/zinc/46/99/54/204469954.db2.gz BZRXDWARMLTJJP-FOKLQQMPSA-N 0 0 361.779 5.326 40 30 FKEBRN CCCCOc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000012525038 520855500 /nfs/dbraw/zinc/85/55/00/520855500.db2.gz QRKMBJCWOKKGLX-OEAKJJBVSA-N 0 0 353.853 5.513 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 ZINC000012561954 571118449 /nfs/dbraw/zinc/11/84/49/571118449.db2.gz OWHCXHQIYPMICR-UZYVYHOESA-N 0 0 361.297 5.942 40 30 FKEBRN COc1ccc2ccccc2c1C=NNc1ccnc2cc(Cl)ccc21 ZINC000012562656 220007832 /nfs/dbraw/zinc/00/78/32/220007832.db2.gz LXQYHTGCRFDWNE-ZMOGYAJESA-N 0 0 361.832 5.496 40 30 FKEBRN Cc1cc(C)cc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(Cl)cc2)c1 ZINC000012599999 210976279 /nfs/dbraw/zinc/97/62/79/210976279.db2.gz ATBYRPVEQVCFNG-YYDJUVGSSA-N 0 0 374.871 5.564 40 30 FKEBRN S=c1[nH]c(-c2ccccc2)cn1N=Cc1cccc(Oc2ccccc2)c1 ZINC000012652539 571322602 /nfs/dbraw/zinc/32/26/02/571322602.db2.gz SQLZDDFTIBRJDY-HZHRSRAPSA-N 0 0 371.465 5.887 40 30 FKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012656805 570815124 /nfs/dbraw/zinc/81/51/24/570815124.db2.gz RXZQACCASWKYSX-PDFGRASLSA-N 0 0 373.537 5.347 40 30 FKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012656809 570815227 /nfs/dbraw/zinc/81/52/27/570815227.db2.gz RXZQACCASWKYSX-CLXFOYLPSA-N 0 0 373.537 5.347 40 30 FKEBRN CC1(C)OC(c2ccccc2)=C/C(=C/C=N\c2ccc3ncccc3c2)O1 ZINC000012970906 209576125 /nfs/dbraw/zinc/57/61/25/209576125.db2.gz DZLWXAMRMLIEHI-KENDQIABSA-N 0 0 356.425 5.645 40 30 FKEBRN C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2ccccn2)o1 ZINC000013208233 518378440 /nfs/dbraw/zinc/37/84/40/518378440.db2.gz DVWVYPMTSKYKRQ-ZVHZXABRSA-N 0 0 370.433 6.476 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000013230307 570824870 /nfs/dbraw/zinc/82/48/70/570824870.db2.gz IGYCILOUXGUCMY-MFKUBSTISA-N 0 0 363.420 5.839 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\NC(=S)Nc3ccccc3)o2)cc1 ZINC000013286042 525671142 /nfs/dbraw/zinc/67/11/42/525671142.db2.gz MZZVCSFUVJXTKL-MOSHPQCFSA-N 0 0 367.499 5.060 40 30 FKEBRN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccc(Cl)cc1 ZINC000013301043 571119356 /nfs/dbraw/zinc/11/93/56/571119356.db2.gz LLMZALSRBZIVTI-VZCXRCSSSA-N 0 0 356.878 5.297 40 30 FKEBRN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3cccc([N+](=O)[O-])c3)cs1)C2 ZINC000013301749 571323159 /nfs/dbraw/zinc/32/31/59/571323159.db2.gz PNSLDFSWGWJLPV-JSHBZVNWSA-N 0 0 370.478 5.332 40 30 FKEBRN O=C(Nc1ccc(Cl)cc1)N1CCCCC/C1=N\c1ccc(F)cc1 ZINC000013302109 571323190 /nfs/dbraw/zinc/32/31/90/571323190.db2.gz LILKRNXZBOZZOR-RELWKKBWSA-N 0 0 359.832 5.617 40 30 FKEBRN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc(Cl)cc1 ZINC000013305986 570776182 /nfs/dbraw/zinc/77/61/82/570776182.db2.gz PMSOXBWCLFLCHJ-JJFYIABZSA-N 0 0 356.882 5.060 40 30 FKEBRN O=[N+]([O-])c1ccc(Br)c2cccc(/C=N/c3ccccc3)c21 ZINC000013402756 570777496 /nfs/dbraw/zinc/77/74/96/570777496.db2.gz YTROOTGTGLIWOO-YBFXNURJSA-N 0 0 355.191 5.261 40 30 FKEBRN Clc1ccc(/N=C2/c3ccccc3CN2c2ccc(Cl)cc2)cc1 ZINC000013467958 211034360 /nfs/dbraw/zinc/03/43/60/211034360.db2.gz UDXLICZFPRSKOW-ATJXCDBQSA-N 0 0 353.252 6.092 40 30 FKEBRN O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013548869 206304274 /nfs/dbraw/zinc/30/42/74/206304274.db2.gz QMGSAILPIPRCLC-OCIPIQTLSA-N 0 0 372.449 5.201 40 30 FKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Br)cc1 ZINC000013586051 570779939 /nfs/dbraw/zinc/77/99/39/570779939.db2.gz KWRPKJFVOPXKBR-KEBDBYFISA-N 0 0 372.093 5.270 40 30 FKEBRN Cc1cc(/C=N\c2cccc3cnccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000013633464 570838146 /nfs/dbraw/zinc/83/81/46/570838146.db2.gz KJDRVXMAWOKJAQ-QFEZKATASA-N 0 0 359.860 6.046 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl ZINC000013640000 220080476 /nfs/dbraw/zinc/08/04/76/220080476.db2.gz IEGBMBHBBRZNOT-GOSISDBHSA-N 0 0 372.255 5.221 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl ZINC000013640002 206305193 /nfs/dbraw/zinc/30/51/93/206305193.db2.gz IEGBMBHBBRZNOT-SFHVURJKSA-N 0 0 372.255 5.221 40 30 FKEBRN C=CCc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000013669366 571119981 /nfs/dbraw/zinc/11/99/81/571119981.db2.gz GZYYLFUJOSRTRN-INIZCTEOSA-N 0 0 351.490 5.212 40 30 FKEBRN C=CCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1OC ZINC000013669367 571120083 /nfs/dbraw/zinc/12/00/83/571120083.db2.gz GZYYLFUJOSRTRN-MRXNPFEDSA-N 0 0 351.490 5.212 40 30 FKEBRN C=CCOc1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000013688399 220085301 /nfs/dbraw/zinc/08/53/01/220085301.db2.gz SQVUDYHBZBZARW-UHFFFAOYSA-N 0 0 357.453 5.289 40 30 FKEBRN C=CCOc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1 ZINC000013688401 210143673 /nfs/dbraw/zinc/14/36/73/210143673.db2.gz OHZXYFAKBPRDGB-UHFFFAOYSA-N 0 0 357.453 5.289 40 30 FKEBRN C=CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013717047 220089491 /nfs/dbraw/zinc/08/94/91/220089491.db2.gz DRMAREAUJAVOMY-UHFFFAOYSA-N 0 0 357.453 5.412 40 30 FKEBRN C=CCOc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000013717049 571120267 /nfs/dbraw/zinc/12/02/67/571120267.db2.gz CFQOEYWNBNLANX-UHFFFAOYSA-N 0 0 357.453 5.412 40 30 FKEBRN N#CCc1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000013717132 570786036 /nfs/dbraw/zinc/78/60/36/570786036.db2.gz LHAPIMMWNZQLEM-UHFFFAOYSA-N 0 0 357.438 5.587 40 30 FKEBRN C=CCOc1cccc(NC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000013717247 132306765 /nfs/dbraw/zinc/30/67/65/132306765.db2.gz GHXFFFHYUPMRIK-UHFFFAOYSA-N 0 0 374.465 6.086 40 30 FKEBRN CC1(C)OC(c2ccccc2)=C/C(=C\C=N/c2ccc3ncccc3c2)O1 ZINC000013756961 220093185 /nfs/dbraw/zinc/09/31/85/220093185.db2.gz DZLWXAMRMLIEHI-QUAINLHDSA-N 0 0 356.425 5.645 40 30 FKEBRN CC(N=Nc1ncnc2sc3c(c21)CCCC3)c1ccc2ccccc2c1 ZINC000013923920 211063541 /nfs/dbraw/zinc/06/35/41/211063541.db2.gz LXKMBZDYNHLGHB-QFEZKATASA-N 0 0 372.497 5.559 40 30 FKEBRN C=CCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1 ZINC000014091438 570843577 /nfs/dbraw/zinc/84/35/77/570843577.db2.gz OUQJMALPBKUFIK-UHFFFAOYSA-N 0 0 355.894 5.001 40 30 FKEBRN C=CCn1c(Cc2ccccc2)nnc1SCc1ccccc1Cl ZINC000014091440 570843541 /nfs/dbraw/zinc/84/35/41/570843541.db2.gz QWDMFPSPAWTONY-UHFFFAOYSA-N 0 0 355.894 5.001 40 30 FKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000014165808 220112371 /nfs/dbraw/zinc/11/23/71/220112371.db2.gz ACERGHXZQNGUCY-VCBZYWHSSA-N 0 0 371.267 5.722 40 30 FKEBRN Cc1sc(NC(=O)c2ccc(OCc3ccccc3)cc2)c(C#N)c1C ZINC000014258575 570846909 /nfs/dbraw/zinc/84/69/09/570846909.db2.gz ZNTIPPUBIJKXIE-UHFFFAOYSA-N 0 0 362.454 5.068 40 30 FKEBRN Cc1sc(NC(=O)c2cccc(OCc3ccccc3)c2)c(C#N)c1C ZINC000014258576 570522953 /nfs/dbraw/zinc/52/29/53/570522953.db2.gz YQEGHPCSLNGHHT-UHFFFAOYSA-N 0 0 362.454 5.068 40 30 FKEBRN COc1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC ZINC000014359852 521999357 /nfs/dbraw/zinc/99/93/57/521999357.db2.gz ZUAWERVYKIJHTC-DNTJNYDQSA-N 0 0 374.651 5.215 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC ZINC000014396798 570848402 /nfs/dbraw/zinc/84/84/02/570848402.db2.gz HYYRLRMGEZBVRB-UHFFFAOYSA-N 0 0 369.770 5.348 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000014396857 570848361 /nfs/dbraw/zinc/84/83/61/570848361.db2.gz NXZDZHMVNRKVAH-UHFFFAOYSA-N 0 0 359.425 5.468 40 30 FKEBRN C=CCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC ZINC000014397364 570848812 /nfs/dbraw/zinc/84/88/12/570848812.db2.gz NKNDMZFCXKBMEN-UHFFFAOYSA-N 0 0 370.663 5.636 40 30 FKEBRN C=CCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC ZINC000014397597 570848874 /nfs/dbraw/zinc/84/88/74/570848874.db2.gz XXSBBFIYIXWSGT-UHFFFAOYSA-N 0 0 371.480 5.266 40 30 FKEBRN C=CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC ZINC000014400507 570854889 /nfs/dbraw/zinc/85/48/89/570854889.db2.gz TUMQCKDAJHDGLI-UHFFFAOYSA-N 0 0 369.770 5.348 40 30 FKEBRN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000014671677 570856026 /nfs/dbraw/zinc/85/60/26/570856026.db2.gz CYLGIHLARICFQP-PKNBQFBNSA-N 0 0 352.817 5.813 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1Cl ZINC000014671940 570856188 /nfs/dbraw/zinc/85/61/88/570856188.db2.gz FIPHIFFMXLQWDJ-HXUWFJFHSA-N 0 0 369.917 6.242 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1Cl ZINC000014671941 570856143 /nfs/dbraw/zinc/85/61/43/570856143.db2.gz FIPHIFFMXLQWDJ-FQEVSTJZSA-N 0 0 369.917 6.242 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(F)cc1 ZINC000014671944 570856165 /nfs/dbraw/zinc/85/61/65/570856165.db2.gz JHOFVKMDIHKCSI-HXUWFJFHSA-N 0 0 353.462 5.728 40 30 FKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(F)cc1 ZINC000014671945 570856083 /nfs/dbraw/zinc/85/60/83/570856083.db2.gz JHOFVKMDIHKCSI-FQEVSTJZSA-N 0 0 353.462 5.728 40 30 FKEBRN CSc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000014671946 570856038 /nfs/dbraw/zinc/85/60/38/570856038.db2.gz HFOYFHRPXLIMJK-FQEVSTJZSA-N 0 0 353.512 5.675 40 30 FKEBRN CSc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000014671947 570856067 /nfs/dbraw/zinc/85/60/67/570856067.db2.gz HFOYFHRPXLIMJK-HXUWFJFHSA-N 0 0 353.512 5.675 40 30 FKEBRN CCCCCCCCCCCCCCCCOC(=O)CCCCCCC ZINC000014880345 570825428 /nfs/dbraw/zinc/82/54/28/570825428.db2.gz DWMMZQMXUWUJME-UHFFFAOYSA-N 0 0 368.646 8.371 40 30 in-vivo FKEBRN N#C[C@H](c1ccc(F)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000015022943 204599745 /nfs/dbraw/zinc/59/97/45/204599745.db2.gz JEFJOTSDPTYHAQ-DHIUTWEWSA-N 0 0 355.416 5.242 40 30 FKEBRN N#Cc1c(C#N)c(N2CCCCC2)nc2c1CCCCCCCCCC2 ZINC000015109751 136150010 /nfs/dbraw/zinc/15/00/10/136150010.db2.gz AMJZVOHQALSNMC-UHFFFAOYSA-N 0 0 350.510 5.035 40 30 FKEBRN O=C1C=CC(=[NH+][N-]c2nonc2-c2ccccc2)C=C1C=Nc1ccccc1 ZINC000015134023 220148244 /nfs/dbraw/zinc/14/82/44/220148244.db2.gz GUWQIBFZRPWQSF-DPWROJBVSA-N 0 0 369.384 5.608 40 30 FKEBRN O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015220933 570862091 /nfs/dbraw/zinc/86/20/91/570862091.db2.gz TVDLTIPJVXSQBV-BLFRMDKKSA-N 0 0 372.449 5.201 40 30 FKEBRN Clc1cccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c1Cl ZINC000015223455 220149405 /nfs/dbraw/zinc/14/94/05/220149405.db2.gz MKSKIIJTDVTUKI-FBHDLOMBSA-N 0 0 371.227 5.576 40 30 FKEBRN c1coc(Cn2c(-c3ccccc3)cs/c2=N\N=C2CCCCC2)c1 ZINC000015227868 570835965 /nfs/dbraw/zinc/83/59/65/570835965.db2.gz ZPXVMSAWHDHLTP-XDOYNYLZSA-N 0 0 351.475 5.079 40 30 FKEBRN FC(F)(F)c1ccccc1/N=C/c1nc(-c2ccccc2)n2ccccc12 ZINC000015441603 207555111 /nfs/dbraw/zinc/55/51/11/207555111.db2.gz ZAMQYRIXOOXPAF-AFUMVMLFSA-N 0 0 365.358 5.771 40 30 FKEBRN Cc1ccc(C(=O)/C=C/S/C(=N\C#N)SCc2ccccc2)cc1 ZINC000015441960 526015132 /nfs/dbraw/zinc/01/51/32/526015132.db2.gz MEVRJHXOIPKYQG-XPZWEZJCSA-N 0 0 352.484 5.195 40 30 FKEBRN CC(C)S/C(=N\C#N)SCCCOc1ccc(Cl)cc1Cl ZINC000015443957 519787209 /nfs/dbraw/zinc/78/72/09/519787209.db2.gz IOGNNVHSUNVQSM-JXAWBTAJSA-N 0 0 363.335 5.474 40 30 FKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=C(C)C[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000015657763 220158379 /nfs/dbraw/zinc/15/83/79/220158379.db2.gz FIFCOJHNNZMPQU-BQGSHDAWSA-N 0 0 370.533 5.396 40 30 FKEBRN O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1/N=C/c1ccccc1 ZINC000015769769 207565425 /nfs/dbraw/zinc/56/54/25/207565425.db2.gz UPFYKBWFAKMLPV-XIEYBQDHSA-N 0 0 350.421 5.065 40 30 FKEBRN Clc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000015989528 220174255 /nfs/dbraw/zinc/17/42/55/220174255.db2.gz ADVHHOLZVGQHSJ-LFVJCYFKSA-N 0 0 357.844 5.943 40 30 FKEBRN C/C(=N\OC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 ZINC000016044406 518470953 /nfs/dbraw/zinc/47/09/53/518470953.db2.gz VZNVWQACUJCSNL-WSDLNYQXSA-N 0 0 374.223 5.834 40 30 FKEBRN CCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCC ZINC000016052461 211154410 /nfs/dbraw/zinc/15/44/10/211154410.db2.gz SADUZRTZUBZVBK-UHFFFAOYSA-N 0 0 370.574 6.354 40 30 FKEBRN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000016123909 220178335 /nfs/dbraw/zinc/17/83/35/220178335.db2.gz MXALKBADWPNLKQ-FPYGCLRLSA-N 0 0 356.046 5.652 40 30 FKEBRN CC(=NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000016136671 211156011 /nfs/dbraw/zinc/15/60/11/211156011.db2.gz RYALUQSCFGTTSH-FMCGGJTJSA-N 0 0 373.239 6.119 40 30 FKEBRN CC(N=Nc1nc(-c2cccnc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000016137273 518466333 /nfs/dbraw/zinc/46/63/33/518466333.db2.gz CQFOLHFVQCNKBL-UFFVCSGVSA-N 0 0 363.273 5.348 40 30 FKEBRN CCc1ccc(-c2nn(-c3ccccc3)cc2/C=N\c2ccc(C)cc2)cc1 ZINC000016162062 220179542 /nfs/dbraw/zinc/17/95/42/220179542.db2.gz FZRCSWFJBOLKNH-ONUIUJJFSA-N 0 0 365.480 6.161 40 30 FKEBRN CC1=NN(c2ccccc2)C(=S)C1C(=Nc1ccccc1)c1ccccc1 ZINC000016249401 570852985 /nfs/dbraw/zinc/85/29/85/570852985.db2.gz VFFRUBYEEYJFAU-ZNTNEXAZSA-N 0 0 369.493 5.639 40 30 FKEBRN Cc1cc(O/C=C/C(=O)c2ccc(Br)cc2)cc(C)c1Cl ZINC000016269373 570853857 /nfs/dbraw/zinc/85/38/57/570853857.db2.gz QVIWJQRTDGYLLU-BQYQJAHWSA-N 0 0 365.654 5.495 40 30 FKEBRN Cc1cc(Cl)cc(Cl)c1O/C=C/C(=O)c1cccc2ccccc21 ZINC000016269640 220180726 /nfs/dbraw/zinc/18/07/26/220180726.db2.gz OAYSVCUFDLGPTA-MDZDMXLPSA-N 0 0 357.236 6.230 40 30 FKEBRN Cc1cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)ccc1Cl ZINC000016282342 220181095 /nfs/dbraw/zinc/18/10/95/220181095.db2.gz PWZDUYUNYYBOHU-UHFFFAOYSA-N 0 0 365.864 5.564 40 30 FKEBRN Cc1ccc(C)c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])c(Cl)c3)o2)c1 ZINC000016284631 211158341 /nfs/dbraw/zinc/15/83/41/211158341.db2.gz LIZNHKHISIFFTL-SRZZPIQSSA-N 0 0 354.793 5.876 40 30 FKEBRN Cc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(C)cc2)cc1 ZINC000016291450 211159682 /nfs/dbraw/zinc/15/96/82/211159682.db2.gz TUWVIQKGXDUDNE-ZGWMJANWSA-N 0 0 357.284 6.220 40 30 FKEBRN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(C(C#N)C#N)n2)cc1 ZINC000016311075 570866169 /nfs/dbraw/zinc/86/61/69/570866169.db2.gz PUWNBGIUUFMNMZ-UHFFFAOYSA-N 0 0 368.827 5.380 40 30 FKEBRN CN(C)c1ccc(C=C2C(=O)[C@@H](C(C)(C)C)C[C@@H](C(C)(C)C)C2=O)cc1 ZINC000016322960 570854777 /nfs/dbraw/zinc/85/47/77/570854777.db2.gz PBYDKAORTOPEMY-KDURUIRLSA-N 0 0 355.522 5.003 40 30 FKEBRN CC(C)(C)c1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000016323045 570854897 /nfs/dbraw/zinc/85/48/97/570854897.db2.gz KUYVWVYUJNKCLI-ATVHPVEESA-N 0 0 354.450 5.015 40 30 FKEBRN Cc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1Cl ZINC000016346869 207583946 /nfs/dbraw/zinc/58/39/46/207583946.db2.gz BHUOPXOVUCHRBX-NHDPSOOVSA-N 0 0 367.861 5.964 40 30 FKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)o1 ZINC000016348053 211159366 /nfs/dbraw/zinc/15/93/66/211159366.db2.gz OGIWIQJMNAPDTC-XKZIYDEJSA-N 0 0 364.470 5.531 40 30 FKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)sc2c1 ZINC000016348767 220184175 /nfs/dbraw/zinc/18/41/75/220184175.db2.gz CMZGBNUOFPDUHE-YDZHTSKRSA-N 0 0 358.466 6.036 40 30 FKEBRN Cc1cccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2cccc(C)c2)c1 ZINC000016348914 211158791 /nfs/dbraw/zinc/15/87/91/211158791.db2.gz QBXKSJAFDKGHCY-RDKXOKGESA-N 0 0 357.284 6.220 40 30 FKEBRN COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cccc(C)c1O ZINC000016362332 570855124 /nfs/dbraw/zinc/85/51/24/570855124.db2.gz FXUOQMPNSXJWCI-YDZHTSKRSA-N 0 0 358.397 5.268 40 30 FKEBRN Cc1cc(C=[NH+][N-]c2nc3ccccc3s2)c(C)n1-c1c(C)cccc1C ZINC000016362425 220183467 /nfs/dbraw/zinc/18/34/67/220183467.db2.gz MTYGTMPCVPVLAY-QRVIBDJDSA-N 0 0 374.513 5.767 40 30 FKEBRN N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCC2 ZINC000016385121 211161347 /nfs/dbraw/zinc/16/13/47/211161347.db2.gz ISAMZUMYVFCXGZ-UHFFFAOYSA-N 0 0 356.256 5.255 40 30 FKEBRN N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCCC2 ZINC000016385124 571177341 /nfs/dbraw/zinc/17/73/41/571177341.db2.gz CUBDGHBIJFJAKX-UHFFFAOYSA-N 0 0 370.283 5.645 40 30 FKEBRN Fc1ccc(/C(Cl)=C/C=N/N=C/C=C(\Cl)c2ccc(F)cc2)cc1 ZINC000016400074 570855743 /nfs/dbraw/zinc/85/57/43/570855743.db2.gz RYIIJLOBKPNTAE-WVNBFDEUSA-N 0 0 365.210 5.881 40 30 FKEBRN Fc1ccc(N=CC=C(Nc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 ZINC000016400094 211160567 /nfs/dbraw/zinc/16/05/67/211160567.db2.gz ULLSWQNZMZLLLQ-BPODSWHHSA-N 0 0 368.814 6.474 40 30 FKEBRN O=C(/C=C/Oc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000016400583 570855702 /nfs/dbraw/zinc/85/57/02/570855702.db2.gz JMEGZHWPFKSELD-BQYQJAHWSA-N 0 0 355.590 5.017 40 30 FKEBRN N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCCCCC2)cc1C#N ZINC000016429081 571188572 /nfs/dbraw/zinc/18/85/72/571188572.db2.gz AWBDJVYYBOMVFA-UHFFFAOYSA-N 0 0 351.837 5.256 40 30 FKEBRN Oc1ccccc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000016449076 211161726 /nfs/dbraw/zinc/16/17/26/211161726.db2.gz ZMTSWVJBPCMIMD-WSDLNYQXSA-N 0 0 364.857 6.073 40 30 FKEBRN N#Cc1ccccc1OCc1nc2ccccc2nc1-c1ccc(Cl)cc1 ZINC000016449173 211160261 /nfs/dbraw/zinc/16/02/61/211160261.db2.gz RHISFKGZIALGAZ-UHFFFAOYSA-N 0 0 371.827 5.401 40 30 FKEBRN Oc1c(Cl)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc(F)cc1 ZINC000016450152 220184891 /nfs/dbraw/zinc/18/48/91/220184891.db2.gz VUSKSNANYYGYLZ-WYMPLXKRSA-N 0 0 374.242 6.180 40 30 FKEBRN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Cl)cc1 ZINC000016450180 220185848 /nfs/dbraw/zinc/18/58/48/220185848.db2.gz ZANIDUKZLRTMIJ-YDZHTSKRSA-N 0 0 356.252 6.040 40 30 FKEBRN O=C(C=C(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000016450686 527593167 /nfs/dbraw/zinc/59/31/67/527593167.db2.gz YGKPBNUXWNUZNA-HMMYKYKNSA-N 0 0 371.392 5.134 40 30 FKEBRN O=[N+]([O-])c1ccc(NN=C(c2ccccc2)c2ccccc2Cl)cc1 ZINC000016450751 211162051 /nfs/dbraw/zinc/16/20/51/211162051.db2.gz ZNQMOWMODJEGLB-ZBJSNUHESA-N 0 0 351.793 5.113 40 30 FKEBRN O=C(C=CNc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000016477036 220185354 /nfs/dbraw/zinc/18/53/54/220185354.db2.gz MWCPYHVQYVDJSM-PFONDFGASA-N 0 0 361.828 5.380 40 30 FKEBRN N#C/N=C(/S/C=C/C(=O)c1ccccc1F)SCc1ccccc1 ZINC000016480834 526428247 /nfs/dbraw/zinc/42/82/47/526428247.db2.gz YQMOGCLFWCQCQP-SDMMKSMRSA-N 0 0 356.447 5.026 40 30 FKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccco2)sc2c1CCCC2 ZINC000016489717 211163513 /nfs/dbraw/zinc/16/35/13/211163513.db2.gz BATSLUBIDMWZSJ-BKUYFWCQSA-N 0 0 350.443 5.223 40 30 FKEBRN Nc1nc(/C(=N\c2ccccc2)c2ccccc2)c(-c2ccccc2)s1 ZINC000016491974 211162517 /nfs/dbraw/zinc/16/25/17/211162517.db2.gz MVARZTNDHXRNMG-CLCOLTQESA-N 0 0 355.466 5.561 40 30 FKEBRN N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCCCCCCCCC2 ZINC000016492381 571197137 /nfs/dbraw/zinc/19/71/37/571197137.db2.gz PQDKEYUZDLBFIN-UHFFFAOYSA-N 0 0 357.501 5.899 40 30 FKEBRN O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000016493356 527652297 /nfs/dbraw/zinc/65/22/97/527652297.db2.gz DRUKVTMVAFEBFE-KHPPLWFESA-N 0 0 357.887 5.952 40 30 FKEBRN C(=NN=c1[nH]c2ccccc2s1)c1c2ccccc2cc2ccccc21 ZINC000016525773 570857653 /nfs/dbraw/zinc/85/76/53/570857653.db2.gz LKDLXBLDRRNSKU-UCQKPKSFSA-N 0 0 353.450 6.049 40 30 FKEBRN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1cccc2ccccc21 ZINC000016526197 527652768 /nfs/dbraw/zinc/65/27/68/527652768.db2.gz NSCMAUPZFNLHBJ-SEYXRHQNSA-N 0 0 357.331 5.547 40 30 FKEBRN O=C(/C=C/Oc1cccc2ccccc21)c1ccc(Br)cc1 ZINC000016545051 570858158 /nfs/dbraw/zinc/85/81/58/570858158.db2.gz FUPQBGMDXWICJU-OUKQBFOZSA-N 0 0 353.215 5.378 40 30 FKEBRN O=C(/C=C\Sc1nc2ccccc2o1)c1cccc(Br)c1 ZINC000016545271 527653303 /nfs/dbraw/zinc/65/33/03/527653303.db2.gz RKBMUGZBUGFBDU-HJWRWDBZSA-N 0 0 360.232 5.079 40 30 FKEBRN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000016545405 220186455 /nfs/dbraw/zinc/18/64/55/220186455.db2.gz ZPCQKHOMMQGCKE-JAIQZWGSSA-N 0 0 353.834 5.656 40 30 FKEBRN O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000016545738 527652717 /nfs/dbraw/zinc/65/27/17/527652717.db2.gz IGVJFEKTMYUEJP-QXMHVHEDSA-N 0 0 357.331 5.547 40 30 FKEBRN O=C(/C=C/Oc1ccc2ccccc2c1)c1ccc(Br)cc1 ZINC000016545855 204637399 /nfs/dbraw/zinc/63/73/99/204637399.db2.gz LHESRRCSJQOCND-VAWYXSNFSA-N 0 0 353.215 5.378 40 30 FKEBRN CCC(C(=O)c1ccccc1)=C(CC(=O)c1ccccc1)c1ccccc1 ZINC000016577036 520179712 /nfs/dbraw/zinc/17/97/12/520179712.db2.gz SXTXGIRECPDWJG-FCQUAONHSA-N 0 0 354.449 6.006 40 30 FKEBRN CC1=Cc2c(C#N)c(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C(C)(C)C1 ZINC000016607289 571203749 /nfs/dbraw/zinc/20/37/49/571203749.db2.gz GHCCCNWASMJBNT-UHFFFAOYSA-N 0 0 355.485 5.887 40 30 FKEBRN C[C@@H]1CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000016608522 211164527 /nfs/dbraw/zinc/16/45/27/211164527.db2.gz IYLMRCDHXHHVKN-MKJBLZNBSA-N 0 0 372.390 5.459 40 30 FKEBRN C[C@H]1CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000016608524 211164282 /nfs/dbraw/zinc/16/42/82/211164282.db2.gz IYLMRCDHXHHVKN-BMVOZTTMSA-N 0 0 372.390 5.459 40 30 FKEBRN CCC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)cc1 ZINC000016610028 211165152 /nfs/dbraw/zinc/16/51/52/211165152.db2.gz TTWYDJGHYMNLIF-UHFFFAOYSA-N 0 0 373.456 5.195 40 30 FKEBRN CC[C@@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 ZINC000016636858 211164972 /nfs/dbraw/zinc/16/49/72/211164972.db2.gz NQKMPWCUVMNGNF-LLVKDONJSA-N 0 0 370.283 5.501 40 30 FKEBRN CC[C@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(Cl)cc3Cl)c2C1 ZINC000016636861 571204807 /nfs/dbraw/zinc/20/48/07/571204807.db2.gz NQKMPWCUVMNGNF-NSHDSACASA-N 0 0 370.283 5.501 40 30 FKEBRN CCCC(=O)Nc1cc(Cl)c([C@@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000016636992 570859242 /nfs/dbraw/zinc/85/92/42/570859242.db2.gz YDMXFAHSBVBQHU-INIZCTEOSA-N 0 0 361.272 5.696 40 30 FKEBRN CCCC(=O)Nc1cc(Cl)c([C@H](C#N)c2ccc(Cl)cc2)cc1C ZINC000016636994 570858980 /nfs/dbraw/zinc/85/89/80/570858980.db2.gz YDMXFAHSBVBQHU-MRXNPFEDSA-N 0 0 361.272 5.696 40 30 FKEBRN CCCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000016637186 570858954 /nfs/dbraw/zinc/85/89/54/570858954.db2.gz YZAVUESMEIOVLT-KOEQRZSOSA-N 0 0 372.468 5.755 40 30 FKEBRN Oc1ccc(Br)cc1/C=N\c1ccc(Cl)c2cccnc12 ZINC000016662108 570859960 /nfs/dbraw/zinc/85/99/60/570859960.db2.gz HFPZHIOMOQVMTB-UKWGHVSLSA-N 0 0 361.626 5.107 40 30 FKEBRN Cc1ccc(/C=N\c2sc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000016663363 211166610 /nfs/dbraw/zinc/16/66/10/211166610.db2.gz JCHLWXFBTYQRHO-MYYYXRDXSA-N 0 0 368.461 6.606 40 30 FKEBRN N#Cc1c(/N=C\c2cccs2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000016675994 570860084 /nfs/dbraw/zinc/86/00/84/570860084.db2.gz QELVXJVSYDVOKV-IWIPYMOSSA-N 0 0 370.502 6.766 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(-c2cn3ccccc3n2)cc1 ZINC000016676156 570860007 /nfs/dbraw/zinc/86/00/07/570860007.db2.gz QCNGURAQQCHBDL-MFKUBSTISA-N 0 0 363.420 5.611 40 30 FKEBRN CC(C)Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000016676457 570867509 /nfs/dbraw/zinc/86/75/09/570867509.db2.gz JMCIJUFTRRXCFZ-SRZZPIQSSA-N 0 0 371.893 5.697 40 30 FKEBRN CCOc1cc(Br)cc(/C=N/c2ccc3ccccc3c2)c1O ZINC000016688217 570860548 /nfs/dbraw/zinc/86/05/48/570860548.db2.gz CTKWDKWBRMJARY-CIAFOILYSA-N 0 0 370.246 5.457 40 30 FKEBRN Cc1nc(N=NCc2cccc(OCc3ccc(Cl)cc3)c2)sc1C ZINC000016696180 571310462 /nfs/dbraw/zinc/31/04/62/571310462.db2.gz JSOPRHBBPHDOMF-SRZZPIQSSA-N 0 0 371.893 5.438 40 30 FKEBRN Cc1nc(N=NCc2cccc(OCc3ccccc3Cl)c2)sc1C ZINC000016696190 571310532 /nfs/dbraw/zinc/31/05/32/571310532.db2.gz MBVCGAXKSQLFGC-SRZZPIQSSA-N 0 0 371.893 5.438 40 30 FKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(Br)c1 ZINC000016711376 571122739 /nfs/dbraw/zinc/12/27/39/571122739.db2.gz OPIKJMFWZJSRHS-ZZEZOPTASA-N 0 0 371.303 5.398 40 30 FKEBRN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1ccccc1Cl ZINC000016711397 571122707 /nfs/dbraw/zinc/12/27/07/571122707.db2.gz LGARJZUGBNIMJH-VZCXRCSSSA-N 0 0 356.878 5.297 40 30 FKEBRN C/C(=N\N=c1/scc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 ZINC000016711422 211168418 /nfs/dbraw/zinc/16/84/18/211168418.db2.gz PNJANUXZLMFABD-XRAPFCFLSA-N 0 0 373.481 5.183 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C(C)=O)cc1 ZINC000016711479 210146473 /nfs/dbraw/zinc/14/64/73/210146473.db2.gz KFEPSKUVZHJOGD-XDOYNYLZSA-N 0 0 368.889 5.491 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(OCC)cc1 ZINC000016711483 210145362 /nfs/dbraw/zinc/14/53/62/210145362.db2.gz DBVYNMDHRAKEEU-XDOYNYLZSA-N 0 0 370.905 5.687 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000016711485 220192703 /nfs/dbraw/zinc/19/27/03/220192703.db2.gz AEOVWQPGBUCYTK-LNVKXUELSA-N 0 0 368.933 6.214 40 30 FKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000016711492 571122794 /nfs/dbraw/zinc/12/27/94/571122794.db2.gz NJAUZLRHXDPNLC-NKFKGCMQSA-N 0 0 360.404 5.654 40 30 FKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000016711502 203858939 /nfs/dbraw/zinc/85/89/39/203858939.db2.gz TVYFGKIFTHUNBE-CLCOLTQESA-N 0 0 374.431 5.962 40 30 FKEBRN C=CCn1c(-c2ccc(OC)cc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000016711519 220192438 /nfs/dbraw/zinc/19/24/38/220192438.db2.gz VVBDFZAPAYIGMR-FCQUAONHSA-N 0 0 364.514 5.569 40 30 FKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(-c2ccccc2)cc1 ZINC000016711538 210146245 /nfs/dbraw/zinc/14/62/45/210146245.db2.gz BDVMMIHPPMTFPS-IZHYLOQSSA-N 0 0 368.505 6.302 40 30 FKEBRN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(C)c(C)c1 ZINC000016756297 570861927 /nfs/dbraw/zinc/86/19/27/570861927.db2.gz BGFMNXFIFXNRIU-NJNXFGOHSA-N 0 0 374.484 5.365 40 30 FKEBRN CC1=CC(C)(C)N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3cccc1c32 ZINC000016776760 570861763 /nfs/dbraw/zinc/86/17/63/570861763.db2.gz JEZQOTOCIMVZKD-KOEQRZSOSA-N 0 0 370.374 5.368 40 30 FKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000016780786 527359351 /nfs/dbraw/zinc/35/93/51/527359351.db2.gz BHMXRKCNHHZHRI-OEAKJJBVSA-N 0 0 370.412 5.044 40 30 FKEBRN C=CCn1c(SCc2c(F)cccc2F)nnc1-c1ccc(C)cc1 ZINC000016788748 519237783 /nfs/dbraw/zinc/23/77/83/519237783.db2.gz UAJRPKGZZKXVBS-UHFFFAOYSA-N 0 0 357.429 5.010 40 30 FKEBRN C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(C)cc(C)c1 ZINC000016805972 220194059 /nfs/dbraw/zinc/19/40/59/220194059.db2.gz NVZVYPCIIMDYOX-UHFFFAOYSA-N 0 0 366.468 5.757 40 30 FKEBRN CC(C[C@@H]1C=CCCC1(C)C)=C(C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016911506 220196545 /nfs/dbraw/zinc/19/65/45/220196545.db2.gz YORFVAYQXZSQLJ-WUJHERPSSA-N 0 0 372.425 5.230 40 30 FKEBRN CC(=CC[C@@H]1C(C)=CCCC1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016917203 519349737 /nfs/dbraw/zinc/34/97/37/519349737.db2.gz HVECIOWVJFWABA-UCTDAWJDSA-N 0 0 372.425 5.230 40 30 FKEBRN CC(=CC[C@@H]1C(C)=CCCC1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016917209 519346129 /nfs/dbraw/zinc/34/61/29/519346129.db2.gz HVECIOWVJFWABA-YGZGTCOOSA-N 0 0 372.425 5.230 40 30 FKEBRN CC(=CC[C@@H]1C(C)=CCCC1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016917214 519345993 /nfs/dbraw/zinc/34/59/93/519345993.db2.gz HVECIOWVJFWABA-KZOYSFSASA-N 0 0 372.425 5.230 40 30 FKEBRN COc1ccc2nc(-c3ccccc3)cc(C(=O)/C=C/c3ccccc3)c2c1 ZINC000016918914 570863268 /nfs/dbraw/zinc/86/32/68/570863268.db2.gz MDRMHMMMACKXIB-NTCAYCPXSA-N 0 0 365.432 5.807 40 30 FKEBRN CCOc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1OCC ZINC000016920947 570863297 /nfs/dbraw/zinc/86/32/97/570863297.db2.gz SCZNWZDWYFMCSM-XYGWBWBKSA-N 0 0 370.452 5.336 40 30 FKEBRN Fc1c(F)c(F)c(/C=N\N=C2c3ccccc3-c3ccccc32)c(F)c1F ZINC000016920963 570863216 /nfs/dbraw/zinc/86/32/16/570863216.db2.gz NOQRIWHCKUUTMO-WMDMUMDLSA-N 0 0 372.296 5.234 40 30 FKEBRN O=[N+]([O-])c1ccc(Cl)cc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000016921043 570863299 /nfs/dbraw/zinc/86/32/99/570863299.db2.gz MAAVYRFWYFYVNJ-WSDLNYQXSA-N 0 0 361.788 5.100 40 30 FKEBRN Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1Cl ZINC000016921079 570863225 /nfs/dbraw/zinc/86/32/25/570863225.db2.gz MHIBUFAKGGNVRG-FSJBWODESA-N 0 0 351.236 5.845 40 30 FKEBRN CN(C)c1ccc(/C=C\C=N/N=C2c3ccccc3-c3ccccc32)cc1 ZINC000016921099 570863229 /nfs/dbraw/zinc/86/32/29/570863229.db2.gz KBBXQLBCPISXLD-FXZQEFSOSA-N 0 0 351.453 5.270 40 30 FKEBRN Clc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)c(Cl)c1 ZINC000016921113 211172006 /nfs/dbraw/zinc/17/20/06/211172006.db2.gz GJXDHAHGAFVFJA-FMCGGJTJSA-N 0 0 351.236 5.845 40 30 FKEBRN CCN(CC)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1 ZINC000016921117 211171377 /nfs/dbraw/zinc/17/13/77/211171377.db2.gz RMEOHNRKUVNLAN-UQQQWYQISA-N 0 0 353.469 5.385 40 30 FKEBRN O=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)ccc1Cl ZINC000016921126 570863320 /nfs/dbraw/zinc/86/33/20/570863320.db2.gz YTNQSBFMJJGHGY-WSDLNYQXSA-N 0 0 361.788 5.100 40 30 FKEBRN CN(C)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)c(Cl)c1 ZINC000016921132 220197576 /nfs/dbraw/zinc/19/75/76/220197576.db2.gz YJHBMEDOZMZMLL-OYKKKHCWSA-N 0 0 359.860 5.258 40 30 FKEBRN COc1ccc(/C=C\C(=N/N=C\c2ccccc2O)c2ccc(F)cc2)cc1 ZINC000016922745 523429108 /nfs/dbraw/zinc/42/91/08/523429108.db2.gz GFTFCQRPCUHCEL-DFTUQWSRSA-N 0 0 374.415 5.077 40 30 FKEBRN O=C1c2ccccc2-c2ccccc2/C1=C/c1ccc(Br)cc1 ZINC000016928500 204644288 /nfs/dbraw/zinc/64/42/88/204644288.db2.gz FUCLOWMKPUKLFD-MOSHPQCFSA-N 0 0 361.238 5.853 40 30 FKEBRN O=[N+]([O-])c1ccc(C(=NNc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000016951714 570863766 /nfs/dbraw/zinc/86/37/66/570863766.db2.gz RVADDMIWYPTPGI-ZBJSNUHESA-N 0 0 351.793 5.113 40 30 FKEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1CCC(C(C)(C)C)CC1 ZINC000016951804 211173713 /nfs/dbraw/zinc/17/37/13/211173713.db2.gz XJSHJNBGPFREKI-BXUJETTOSA-N 0 0 360.414 5.063 40 30 FKEBRN O=C(/C=C/c1c2ccccc2[nH]c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000016952490 570863586 /nfs/dbraw/zinc/86/35/86/570863586.db2.gz VDNQZBHCHGNCCL-CCEZHUSRSA-N 0 0 368.392 5.639 40 30 FKEBRN O=C(/C=C/c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000016952492 211173243 /nfs/dbraw/zinc/17/32/43/211173243.db2.gz SRZIWBALUGPBHT-CCEZHUSRSA-N 0 0 368.392 5.639 40 30 FKEBRN O=C(/C=C/c1c2ccccc2[nH]c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000016952494 527602027 /nfs/dbraw/zinc/60/20/27/527602027.db2.gz QJKLAKFYCQIUPE-BUHFOSPRSA-N 0 0 368.392 5.639 40 30 FKEBRN C(=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000016954051 211173719 /nfs/dbraw/zinc/17/37/19/211173719.db2.gz XALKZBRZSFSNIM-SZXQPVLSSA-N 0 0 363.460 6.029 40 30 FKEBRN Cc1sccc1C(=S)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1 ZINC000016958647 220198258 /nfs/dbraw/zinc/19/82/58/220198258.db2.gz CUAFAPWAOHPDIJ-VXLYETTFSA-N 0 0 366.939 5.647 40 30 FKEBRN O=C1/C(=C\c2ccc(Cl)cc2)CSC/C1=C/c1ccc(Cl)cc1 ZINC000016958665 211173355 /nfs/dbraw/zinc/17/33/55/211173355.db2.gz NUUZUMOYGRIQFX-VULZFCBJSA-N 0 0 361.293 5.776 40 30 FKEBRN O=C1/C(=C\c2ccc(O)cc2)CCC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000016958906 207603035 /nfs/dbraw/zinc/60/30/35/207603035.db2.gz IMLOAMSUXFEQKT-XCMCHEKJSA-N 0 0 359.252 5.919 40 30 FKEBRN O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000016958951 527634206 /nfs/dbraw/zinc/63/42/06/527634206.db2.gz XQZXRYFHQGNJJS-JYFOCSDGSA-N 0 0 354.405 5.202 40 30 FKEBRN C[C@@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000016958972 211172859 /nfs/dbraw/zinc/17/28/59/211172859.db2.gz OMLHTHDNMOEJMF-CNKCWCKNSA-N 0 0 357.280 6.459 40 30 FKEBRN O=[N+]([O-])c1ccccc1N=NC(Cc1ccccc1)N=Nc1ccccc1 ZINC000016979431 527397744 /nfs/dbraw/zinc/39/77/44/527397744.db2.gz ANLKBRPGHYSLRU-JVVTXYFXSA-N 0 0 359.389 5.347 40 30 FKEBRN O=[N+]([O-])c1ccccc1N=NC(Cc1ccccc1)N=Nc1ccccc1 ZINC000016979437 527397187 /nfs/dbraw/zinc/39/71/87/527397187.db2.gz ANLKBRPGHYSLRU-FWOYJBNGSA-N 0 0 359.389 5.347 40 30 FKEBRN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)N=Nc2ccccc2)cc1 ZINC000016979445 527345417 /nfs/dbraw/zinc/34/54/17/527345417.db2.gz IIWSYCPYQWJAEC-FWOYJBNGSA-N 0 0 359.389 5.347 40 30 FKEBRN Cc1cc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)ccc1Cl ZINC000017004643 526196810 /nfs/dbraw/zinc/19/68/10/526196810.db2.gz KUYWXRYNHMGPBH-HKWRFOASSA-N 0 0 360.840 5.798 40 30 FKEBRN C(=N/c1oc(-c2ccccc2)nc1Sc1ccccc1)\c1ccccc1 ZINC000017005485 570864967 /nfs/dbraw/zinc/86/49/67/570864967.db2.gz JFSQCDMTAQXXFV-XQNSMLJCSA-N 0 0 356.450 6.243 40 30 FKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017023318 527654964 /nfs/dbraw/zinc/65/49/64/527654964.db2.gz PEIXSRCYWCYQCA-IOBHVTPZSA-N 0 0 372.078 6.596 40 30 FKEBRN Brc1ccc(/C(=N\Nc2ccccc2)Oc2ccccc2)cc1 ZINC000017047374 570865684 /nfs/dbraw/zinc/86/56/84/570865684.db2.gz YFZMAKMOTMGVGT-ZBJSNUHESA-N 0 0 367.246 5.302 40 30 FKEBRN C(=N/c1ccccc1-c1ccccc1/N=C\c1ccccc1)\c1ccccc1 ZINC000017061513 570865411 /nfs/dbraw/zinc/86/54/11/570865411.db2.gz VPKMOHKPMZAAAJ-RIRMOVKSSA-N 0 0 360.460 6.855 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\Sc1ccc(Br)cc1 ZINC000017062374 570865486 /nfs/dbraw/zinc/86/54/86/570865486.db2.gz VZRQUKIHINCHGV-ODLFYWEKSA-N 0 0 358.260 5.434 40 30 FKEBRN COc1ccc(C)cc1/N=C/c1ccc(/C=N\c2cc(C)ccc2OC)cc1 ZINC000017063337 523799577 /nfs/dbraw/zinc/79/95/77/523799577.db2.gz VOFQSHZKHYFHRT-WFOJNGAISA-N 0 0 372.468 5.822 40 30 FKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000017063472 519949048 /nfs/dbraw/zinc/94/90/48/519949048.db2.gz MFAJMFUIWIMWLG-AUWJEWJLSA-N 0 0 370.876 6.112 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000017073730 206321908 /nfs/dbraw/zinc/32/19/08/206321908.db2.gz FYDBHUAMKZMRKN-MNVZFQSXSA-N 0 0 356.878 5.354 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000017073731 220203320 /nfs/dbraw/zinc/20/33/20/220203320.db2.gz GZBRHIHYJLXKGG-MNVZFQSXSA-N 0 0 356.878 5.354 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C)cc1 ZINC000017075294 220204282 /nfs/dbraw/zinc/20/42/82/220204282.db2.gz SIUPQTLWAXZFAG-KIOXBDSISA-N 0 0 366.486 5.018 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(C)c2)S/C1=N\c1ccccc1 ZINC000017075295 570870119 /nfs/dbraw/zinc/87/01/19/570870119.db2.gz OOZYHIDNZNLPLQ-KLPPEWMLSA-N 0 0 366.486 5.018 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccc(C)cc1 ZINC000017076033 571310525 /nfs/dbraw/zinc/31/05/25/571310525.db2.gz XWHXPYQCXSTRNM-PVTBXJRFSA-N 0 0 370.905 5.662 40 30 FKEBRN Clc1ccc(-c2csc(N=NC=CCc3ccccc3)n2)c(Cl)c1 ZINC000017086108 526934199 /nfs/dbraw/zinc/93/41/99/526934199.db2.gz CXAUDWXPQUTXPV-XREZVLSMSA-N 0 0 374.296 6.228 40 30 FKEBRN COc1ccccc1/C=C\C1=C(C)C(=O)C[C@@H](c2ccccc2OC)[C@@H]1C ZINC000017104713 211178800 /nfs/dbraw/zinc/17/88/00/211178800.db2.gz MMBWSOJWZHGXOX-SYCLGQATSA-N 0 0 362.469 5.426 40 30 FKEBRN CCCCCCC(=O)/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 ZINC000017105360 519948331 /nfs/dbraw/zinc/94/83/31/519948331.db2.gz FKXGZFMOJZHDLK-DTQAZKPQSA-N 0 0 370.876 6.112 40 30 FKEBRN CCCCCCC(=O)/C=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000017105367 519948063 /nfs/dbraw/zinc/94/80/63/519948063.db2.gz AGAGOSQRYHBTIQ-QINSGFPZSA-N 0 0 372.486 5.007 40 30 FKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(C)cc2)cc1 ZINC000017106684 519948531 /nfs/dbraw/zinc/94/85/31/519948531.db2.gz UMRMMOLWURYTSL-GDNBJRDFSA-N 0 0 350.458 5.767 40 30 FKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1 ZINC000017106686 519948815 /nfs/dbraw/zinc/94/88/15/519948815.db2.gz FGNUVRAWNVULJY-JYRVWZFOSA-N 0 0 366.457 5.467 40 30 FKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccc(C#N)cc2)cc1 ZINC000017106688 519948515 /nfs/dbraw/zinc/94/85/15/519948515.db2.gz MWZAEVGEFBTLHG-ZROIWOOFSA-N 0 0 361.441 5.330 40 30 FKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3c4c(cccc42)-c2ccccc2-3)cc1 ZINC000017108465 570868667 /nfs/dbraw/zinc/86/86/67/570868667.db2.gz KJTGAJIINMQFBV-ZVHZXABRSA-N 0 0 350.377 6.146 40 30 FKEBRN Clc1ccc(/N=C(\c2ccncc2)c2cc(Cl)ccc2Cl)cc1 ZINC000017109577 570868743 /nfs/dbraw/zinc/86/87/43/570868743.db2.gz ZOZAKIFZZRADNL-PTGBLXJZSA-N 0 0 361.659 6.211 40 30 FKEBRN CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(N)=S ZINC000017109926 519949297 /nfs/dbraw/zinc/94/92/97/519949297.db2.gz YRHMFELWQFBOTP-QFVJZTAWSA-N 0 0 358.338 5.166 40 30 FKEBRN CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(N)=S ZINC000017109929 519946831 /nfs/dbraw/zinc/94/68/31/519946831.db2.gz YRHMFELWQFBOTP-JERDJRHPSA-N 0 0 358.338 5.166 40 30 FKEBRN CCCCCCC(=O)/C=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000017123716 519949582 /nfs/dbraw/zinc/94/95/82/519949582.db2.gz SQTQTVBHUBEHGX-QINSGFPZSA-N 0 0 356.893 6.472 40 30 FKEBRN CCCCCCC(=O)/C=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000017123720 519949397 /nfs/dbraw/zinc/94/93/97/519949397.db2.gz WBAONCHOBJOYPA-QINSGFPZSA-N 0 0 367.445 5.727 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000017124104 220207957 /nfs/dbraw/zinc/20/79/57/220207957.db2.gz FTDFYTKHBGAUKZ-OVCLIPMQSA-N 0 0 359.381 5.070 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000017124108 220207732 /nfs/dbraw/zinc/20/77/32/220207732.db2.gz SFBDKOZKTGOCMV-SDNWHVSQSA-N 0 0 359.381 5.070 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000017124111 527617799 /nfs/dbraw/zinc/61/77/99/527617799.db2.gz TVDFEWYLKFJOHF-NTCAYCPXSA-N 0 0 359.381 5.070 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F ZINC000017124133 211181473 /nfs/dbraw/zinc/18/14/73/211181473.db2.gz HVHROOIVCVTTKV-SDNWHVSQSA-N 0 0 350.364 5.440 40 30 FKEBRN CCCCC[C@@H](CSCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017125318 520292751 /nfs/dbraw/zinc/29/27/51/520292751.db2.gz JUSWCYBUGDBLAE-KLQCNHIUSA-N 0 0 359.362 6.525 40 30 FKEBRN CCCCC[C@H](CSCC)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017125321 520313256 /nfs/dbraw/zinc/31/32/56/520313256.db2.gz JUSWCYBUGDBLAE-ZHUYAKLQSA-N 0 0 359.362 6.525 40 30 FKEBRN Oc1ccccc1/C=N/c1ccc2nc(SC3CCCC3)sc2c1 ZINC000017125650 220207772 /nfs/dbraw/zinc/20/77/72/220207772.db2.gz SXLSRNLUMQZPMQ-UDWIEESQSA-N 0 0 354.500 5.787 40 30 FKEBRN CCCCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125653 211181490 /nfs/dbraw/zinc/18/14/90/211181490.db2.gz AIFIUKHBQFRURN-KGENOOAVSA-N 0 0 370.543 6.425 40 30 FKEBRN COc1ccc(C=NNc2cc(C)nc3ccc(F)cc32)c2ccccc12 ZINC000017127111 570869219 /nfs/dbraw/zinc/86/92/19/570869219.db2.gz ZYTXJKDPCSHKCV-ZMOGYAJESA-N 0 0 359.404 5.290 40 30 FKEBRN Cc1ccc2[nH]c(=NN=C(c3ccccc3)c3ccccn3)cc(C)c2c1 ZINC000017127491 570869438 /nfs/dbraw/zinc/86/94/38/570869438.db2.gz BBBPWTGXWGELKG-SLEBQGDGSA-N 0 0 352.441 5.111 40 30 FKEBRN CCCCCCC(=O)/C=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000017127540 519949427 /nfs/dbraw/zinc/94/94/27/519949427.db2.gz URKLWGCRHYRYMK-YPKPFQOOSA-N 0 0 356.893 6.472 40 30 FKEBRN CC(=O)c1ccc(N=C2c3ccccc3CN2c2ccc(C(C)=O)cc2)cc1 ZINC000017128158 220207864 /nfs/dbraw/zinc/20/78/64/220207864.db2.gz BITDAUFPEKDVLP-OCOZRVBESA-N 0 0 368.436 5.190 40 30 FKEBRN O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc3ccccc3c1)c1ccccc1-2 ZINC000017146330 204650240 /nfs/dbraw/zinc/65/02/40/204650240.db2.gz RRKNEVSCOFLPHQ-WCWDXBQESA-N 0 0 350.377 5.898 40 30 FKEBRN C=CCc1cc([C@H](CC)[C@H](CC)c2ccc(O)c(CC=C)c2)ccc1O ZINC000017146477 210154359 /nfs/dbraw/zinc/15/43/59/210154359.db2.gz LEQXJAGLXSFBMP-SZPZYZBQSA-N 0 0 350.502 6.242 40 30 FKEBRN CCC(CC)C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1CCCCC1 ZINC000017148991 211180495 /nfs/dbraw/zinc/18/04/95/211180495.db2.gz KPTYUAAXGJOWGH-ZZEZOPTASA-N 0 0 360.414 5.208 40 30 FKEBRN c1ccc(/N=C(C(=N\c2ccccc2)/c2ccccc2)\c2ccccc2)cc1 ZINC000017160187 220206382 /nfs/dbraw/zinc/20/63/82/220206382.db2.gz YBGSMMQIEMVNHB-ZQZMJUSDSA-N 0 0 360.460 6.628 40 30 FKEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=C1CCC(C(C)(C)C)CC1 ZINC000017161824 211182010 /nfs/dbraw/zinc/18/20/10/211182010.db2.gz XJSHJNBGPFREKI-ONDHQXCVSA-N 0 0 360.414 5.063 40 30 FKEBRN CCCCN(CCC#N)c1ccc(/C=C\c2ccnc3ccccc23)cc1 ZINC000017162421 220206817 /nfs/dbraw/zinc/20/68/17/220206817.db2.gz VZCTZXOBCIIQFH-XFXZXTDPSA-N 0 0 355.485 5.925 40 30 FKEBRN CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000017167398 206321538 /nfs/dbraw/zinc/32/15/38/206321538.db2.gz AOLQCHMPTZPIDA-DNLCFCFBSA-N 0 0 361.470 5.182 40 30 FKEBRN C(c1ccccc1)=C1CCCC(Cc2ccccc2)=C1N=Nc1ccccc1 ZINC000017196988 570870340 /nfs/dbraw/zinc/87/03/40/570870340.db2.gz QQRAQEBHQRSEGT-BLVCXSLXSA-N 0 0 364.492 6.806 40 30 FKEBRN O=C(/C(=C\c1ccc(Br)cc1)c1ccccc1)c1ccccc1 ZINC000017197438 570870182 /nfs/dbraw/zinc/87/01/82/570870182.db2.gz WQNNOPQBZXKJGU-HKWRFOASSA-N 0 0 363.254 5.873 40 30 FKEBRN C/C(=N\O)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C ZINC000017210608 211182647 /nfs/dbraw/zinc/18/26/47/211182647.db2.gz CCYPCFLUAOOJCH-BUVRLJJBSA-N 0 0 374.469 5.169 40 30 FKEBRN Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 ZINC000017213453 526816789 /nfs/dbraw/zinc/81/67/89/526816789.db2.gz PLGIIOKXCKDKEU-GRSHGNNSSA-N 0 0 350.871 5.178 40 30 FKEBRN Cc1ccsc1C(=S)Nc1ccc(Cl)c(/C=N\OC(C)(C)C)c1 ZINC000017213668 220211843 /nfs/dbraw/zinc/21/18/43/220211843.db2.gz SQQWWYVPSWFCLQ-GRSHGNNSSA-N 0 0 366.939 5.647 40 30 FKEBRN CC(C)(C)/N=C1/CC(C)(C)c2ccccc2/C(=N\c2ccccc2)S1 ZINC000017213909 220211393 /nfs/dbraw/zinc/21/13/93/220211393.db2.gz RSNMJUIJZLBDNQ-SKZWKZHWSA-N 0 0 350.531 6.376 40 30 FKEBRN Cc1occc1C(=S)Nc1ccc(Cl)c(/C=N\OC2CCCC2)c1 ZINC000017217031 570870836 /nfs/dbraw/zinc/87/08/36/570870836.db2.gz BQUDVOCALIHNLE-JAIQZWGSSA-N 0 0 362.882 5.322 40 30 FKEBRN O=C(/C=C\c1cccs1)c1ccc(C(=O)/C=C\c2cccs2)cc1 ZINC000017222029 527659026 /nfs/dbraw/zinc/65/90/26/527659026.db2.gz AWFKHBXZPFZQCK-HWAYABPNSA-N 0 0 350.464 5.602 40 30 FKEBRN O=C(/C=C/c1cccs1)c1ccc(C(=O)/C=C\c2cccs2)cc1 ZINC000017222035 527642512 /nfs/dbraw/zinc/64/25/12/527642512.db2.gz AWFKHBXZPFZQCK-DSOJMZEYSA-N 0 0 350.464 5.602 40 30 FKEBRN O=C1/C(=C/c2ccc(Cl)cc2)CSC/C1=C\c1ccc(Cl)cc1 ZINC000017254526 220211645 /nfs/dbraw/zinc/21/16/45/220211645.db2.gz NUUZUMOYGRIQFX-KAVGSWPWSA-N 0 0 361.293 5.776 40 30 FKEBRN Cc1ccc(O)c(-c2cc(-c3ccccc3)nc(/N=C\c3ccccc3)n2)c1 ZINC000017261205 525333199 /nfs/dbraw/zinc/33/31/99/525333199.db2.gz URHOGTCCBLCWCS-XYGWBWBKSA-N 0 0 365.436 5.575 40 30 FKEBRN O=C(O/C(=N/c1ccccc1)c1nccc2ccccc21)c1ccccc1 ZINC000017285483 570871796 /nfs/dbraw/zinc/87/17/96/570871796.db2.gz VEWWOBCZAALYKW-YYDJUVGSSA-N 0 0 352.393 5.170 40 30 FKEBRN CCOc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1C(C)(C)C ZINC000017288815 520855914 /nfs/dbraw/zinc/85/59/14/520855914.db2.gz DGMPZXYPCNKBNO-OYKKKHCWSA-N 0 0 353.506 6.271 40 30 FKEBRN O=C(/C(=C/c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000017288970 211183772 /nfs/dbraw/zinc/18/37/72/211183772.db2.gz HADJEVHTUPMYGT-HMMYKYKNSA-N 0 0 363.254 5.873 40 30 FKEBRN CCCC[C@@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C\C(C)C ZINC000017289675 570871869 /nfs/dbraw/zinc/87/18/69/570871869.db2.gz XAVZCHZOMKLYST-XIVBZFBUSA-N 0 0 368.602 6.560 40 30 FKEBRN CCCC[C@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C/C(C)C ZINC000017289677 207617418 /nfs/dbraw/zinc/61/74/18/207617418.db2.gz XAVZCHZOMKLYST-KUOZIZRBSA-N 0 0 368.602 6.560 40 30 FKEBRN O=C(/C=C/c1ccccc1)c1ccc(-c2cccc(-c3ccccc3)c2)cc1 ZINC000017302086 570871730 /nfs/dbraw/zinc/87/17/30/570871730.db2.gz CQHBOHCMFCABTE-XMHGGMMESA-N 0 0 360.456 6.917 40 30 FKEBRN N#CC1(c2ccccc2)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000017310905 570871852 /nfs/dbraw/zinc/87/18/52/570871852.db2.gz HUFNWVLCSKBRCC-XMGLRAKGSA-N 0 0 351.449 5.378 40 30 FKEBRN Cl/C(=N\c1cccc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000017311003 570871833 /nfs/dbraw/zinc/87/18/33/570871833.db2.gz XWFIEOIMMLRDEE-WJTDDFOZSA-N 0 0 356.856 6.904 40 30 in-vitro FKEBRN O=C1c2cc(Cl)ccc2-c2ccc(/N=C\c3ccccc3Cl)cc21 ZINC000017325277 570872175 /nfs/dbraw/zinc/87/21/75/570872175.db2.gz OMEKUCJMNAZLBG-KSEXSDGBSA-N 0 0 352.220 5.955 40 30 FKEBRN c1csc(/C(=N/N=C(/c2cccs2)c2ccccc2)c2ccccc2)c1 ZINC000017377381 220215673 /nfs/dbraw/zinc/21/56/73/220215673.db2.gz RYRZNIKWTXINJZ-MBALSZOMSA-N 0 0 372.518 6.100 40 30 FKEBRN CN(C)c1ccc(/C=N/c2ccc(/C=C3/C=Cc4ccccc43)cc2)cc1 ZINC000017418492 211186729 /nfs/dbraw/zinc/18/67/29/211186729.db2.gz NQHDJIZJAGLCSP-CGGYNTGBSA-N 0 0 350.465 6.071 40 30 FKEBRN O=C(/C(=C\c1ccc(Cl)c(Cl)c1)c1ccccc1)c1ccc(O)cc1 ZINC000017421652 220215631 /nfs/dbraw/zinc/21/56/31/220215631.db2.gz ADTDTVFNQISXTE-PDGQHHTCSA-N 0 0 369.247 6.123 40 30 FKEBRN CC(C=C(N=Nc1nc2ccccc2s1)c1ccccc1)c1ccccc1 ZINC000017422473 518416077 /nfs/dbraw/zinc/41/60/77/518416077.db2.gz OXSZEXILERCPLU-YDCHNGLQSA-N 0 0 369.493 6.216 40 30 FKEBRN O=[N+]([O-])c1ccc(/N=C(\Cl)N(c2ccccc2)c2ccccc2)cc1 ZINC000017424478 204655378 /nfs/dbraw/zinc/65/53/78/204655378.db2.gz CYLPQCPAFCRLLK-XUTLUUPISA-N 0 0 351.793 5.659 40 30 FKEBRN O=C1c2ccccc2-c2cc(Cl)c(/N=C/c3ccc4c(c3)OCO4)cc21 ZINC000017862013 570873628 /nfs/dbraw/zinc/87/36/28/570873628.db2.gz HZXOBSUIHMKFDF-AUEPDCJTSA-N 0 0 361.784 5.031 40 30 FKEBRN C(=N/c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3)ccc1-2)\c1ccccc1 ZINC000017888370 220218691 /nfs/dbraw/zinc/21/86/91/220218691.db2.gz 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O=[N+]([O-])c1ccc(N=NC2CCCCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000018038494 220221870 /nfs/dbraw/zinc/22/18/70/220221870.db2.gz IHRPWSXWLYWEMJ-TXCMAPRMSA-N 0 0 368.393 5.019 40 30 FKEBRN O=C(Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccccc1 ZINC000018042570 570874814 /nfs/dbraw/zinc/87/48/14/570874814.db2.gz IVGJESFDFFSJIN-KGENOOAVSA-N 0 0 374.827 5.137 40 30 FKEBRN Cc1cc(N(CCC#N)CCC#N)ccc1/N=N/c1cccc(Cl)c1 ZINC000018046786 525031435 /nfs/dbraw/zinc/03/14/35/525031435.db2.gz NZFAGPFREPVQQW-WCWDXBQESA-N 0 0 351.841 5.698 40 30 FKEBRN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)N=Nc2ccccc2)cc1 ZINC000018066225 527346338 /nfs/dbraw/zinc/34/63/38/527346338.db2.gz IIWSYCPYQWJAEC-JVVTXYFXSA-N 0 0 359.389 5.347 40 30 FKEBRN c1csc(/C(=N/N=C(\c2cccs2)c2ccccc2)c2ccccc2)c1 ZINC000018066468 526577833 /nfs/dbraw/zinc/57/78/33/526577833.db2.gz RYRZNIKWTXINJZ-MMUCEYJRSA-N 0 0 372.518 6.100 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1 ZINC000018067861 521999329 /nfs/dbraw/zinc/99/93/29/521999329.db2.gz 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S=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000018193556 263373432 /nfs/dbraw/zinc/37/34/32/263373432.db2.gz NZMXBTYRQWCQMS-IKJQKJQYSA-N 0 0 373.506 5.985 40 30 FKEBRN C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1 ZINC000018252301 570877944 /nfs/dbraw/zinc/87/79/44/570877944.db2.gz NMTVOLGEUFUEOW-GGUAGVTFSA-N 0 0 374.487 7.349 40 30 in-vivo FKEBRN Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1 ZINC000018252303 570877755 /nfs/dbraw/zinc/87/77/55/570877755.db2.gz WCKYYJKBGZSGCJ-CKDLINKZSA-N 0 0 360.071 6.628 40 30 FKEBRN CC(N=Nc1nc2ccccc2s1)N=Nc1ccc(Br)cc1 ZINC000019228448 220241398 /nfs/dbraw/zinc/24/13/98/220241398.db2.gz KAVKMSCEAWQLNE-MNJINHJASA-N 0 0 374.267 5.010 40 30 FKEBRN Cc1ccsc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000019418924 570888783 /nfs/dbraw/zinc/88/87/83/570888783.db2.gz OOVGLUUYLDUVNR-UHFFFAOYSA-N 0 0 369.530 5.030 40 30 FKEBRN CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccc(OC)cc1 ZINC000019832450 220301837 /nfs/dbraw/zinc/30/18/37/220301837.db2.gz 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COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)c(OC)c1 ZINC000020242149 571305090 /nfs/dbraw/zinc/30/50/90/571305090.db2.gz MZICIMRVHUEZRD-HZHRSRAPSA-N 0 0 363.482 5.747 40 30 FKEBRN C(=N/c1ccc(CSc2ccccc2)cc1)\c1cccc2ccccc12 ZINC000020242154 571305078 /nfs/dbraw/zinc/30/50/78/571305078.db2.gz PDJXBMNRUWGHKT-KOEQRZSOSA-N 0 0 353.490 6.883 40 30 FKEBRN COC(=O)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242155 571305125 /nfs/dbraw/zinc/30/51/25/571305125.db2.gz WNWBPEUDBATQSV-HZHRSRAPSA-N 0 0 361.466 5.516 40 30 FKEBRN CCOc1cc(/C=N/c2ccc(CSc3ccccc3)cc2)ccc1O ZINC000020242159 571305127 /nfs/dbraw/zinc/30/51/27/571305127.db2.gz ZFJZRTJCIMEKRL-HZHRSRAPSA-N 0 0 363.482 5.834 40 30 FKEBRN COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1OC ZINC000020242161 571305054 /nfs/dbraw/zinc/30/50/54/571305054.db2.gz ATUQFCNDIQALDS-HZHRSRAPSA-N 0 0 363.482 5.747 40 30 FKEBRN CC(=O)Oc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242166 571305071 /nfs/dbraw/zinc/30/50/71/571305071.db2.gz PNFDFZKCQATJFO-HZHRSRAPSA-N 0 0 361.466 5.655 40 30 FKEBRN CC(=O)Oc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020242174 571305120 /nfs/dbraw/zinc/30/51/20/571305120.db2.gz VBMAKPQCVYSJST-WGOQTCKBSA-N 0 0 373.496 5.830 40 30 FKEBRN Clc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)c(Cl)c1 ZINC000020242178 571305141 /nfs/dbraw/zinc/30/51/41/571305141.db2.gz ZLADJOXFGZZYHG-YDZHTSKRSA-N 0 0 372.320 7.036 40 30 FKEBRN COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1OC ZINC000020242182 571305133 /nfs/dbraw/zinc/30/51/33/571305133.db2.gz JRYXYPFRPIBGMD-HZHRSRAPSA-N 0 0 363.482 5.747 40 30 FKEBRN COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1O ZINC000020242190 571305108 /nfs/dbraw/zinc/30/51/08/571305108.db2.gz SUOSYMZXCLSURC-MFKUBSTISA-N 0 0 361.485 5.619 40 30 FKEBRN CCN(CC)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242206 571305048 /nfs/dbraw/zinc/30/50/48/571305048.db2.gz KZAALUPYQXDGLH-XIEYBQDHSA-N 0 0 374.553 6.576 40 30 FKEBRN COc1ccc(OC)c(/C=N/c2ccc(CSc3ccccc3)cc2)c1 ZINC000020242208 571305083 /nfs/dbraw/zinc/30/50/83/571305083.db2.gz QASRBZZDECZLGP-HZHRSRAPSA-N 0 0 363.482 5.747 40 30 FKEBRN CN(C)c1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020242210 571305157 /nfs/dbraw/zinc/30/51/57/571305157.db2.gz UMLWMMAIJLHWPK-YZSQISJMSA-N 0 0 358.529 5.971 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242212 571305067 /nfs/dbraw/zinc/30/50/67/571305067.db2.gz MEPDEIUYFXUPRM-PCLIKHOPSA-N 0 0 369.489 6.588 40 30 FKEBRN Clc1cccc(Cl)c1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242222 570862547 /nfs/dbraw/zinc/86/25/47/570862547.db2.gz VJEQWRASVIPUKO-YDZHTSKRSA-N 0 0 372.320 7.036 40 30 FKEBRN Brc1ccc(CSC#CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000020437042 220326692 /nfs/dbraw/zinc/32/66/92/220326692.db2.gz OVIHUGFHSOKVAM-UHFFFAOYSA-N 0 0 361.348 5.860 40 30 FKEBRN CCN1C/C(=C\c2ccc(C)cc2C)C(=O)/C(=C/c2ccc(C)cc2C)C1 ZINC000020470056 571329662 /nfs/dbraw/zinc/32/96/62/571329662.db2.gz HMCYISRLZDBXPO-RNIAWFEPSA-N 0 0 359.513 5.292 40 30 FKEBRN O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 ZINC000020509901 570919315 /nfs/dbraw/zinc/91/93/15/570919315.db2.gz IRSSRBJGHBHGMI-WAIKUNEKSA-N 0 0 356.425 5.259 40 30 FKEBRN O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000020509904 207742974 /nfs/dbraw/zinc/74/29/74/207742974.db2.gz IRSSRBJGHBHGMI-MWTRTKDXSA-N 0 0 356.425 5.259 40 30 FKEBRN O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccccc1)Nc1ccccc1N2 ZINC000020509907 207741864 /nfs/dbraw/zinc/74/18/64/207741864.db2.gz IRSSRBJGHBHGMI-QMHKHESXSA-N 0 0 356.425 5.259 40 30 FKEBRN O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccccc1)Nc1ccccc1N2 ZINC000020509910 211285526 /nfs/dbraw/zinc/28/55/26/211285526.db2.gz IRSSRBJGHBHGMI-HJPURHCSSA-N 0 0 356.425 5.259 40 30 FKEBRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 ZINC000020572637 263381934 /nfs/dbraw/zinc/38/19/34/263381934.db2.gz UVQJZCDBSITYNI-FEKVWQKISA-N 0 0 372.512 5.723 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000020672621 570923001 /nfs/dbraw/zinc/92/30/01/570923001.db2.gz HTKHCKCFVRXUSI-GOSISDBHSA-N 0 0 372.255 5.221 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000020672624 570922981 /nfs/dbraw/zinc/92/29/81/570922981.db2.gz HTKHCKCFVRXUSI-SFHVURJKSA-N 0 0 372.255 5.221 40 30 FKEBRN N#Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000020759820 263381677 /nfs/dbraw/zinc/38/16/77/263381677.db2.gz MRHOCLYMXBNPOY-UHFFFAOYSA-N 0 0 362.241 5.207 40 30 FKEBRN N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000020759842 263381486 /nfs/dbraw/zinc/38/14/86/263381486.db2.gz AYDCECSYNGCSTH-UHFFFAOYSA-N 0 0 362.241 5.207 40 30 FKEBRN N#Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 ZINC000020759854 263381822 /nfs/dbraw/zinc/38/18/22/263381822.db2.gz NJQIJXSJJQKLSA-UHFFFAOYSA-N 0 0 362.241 5.207 40 30 FKEBRN COc1ccccc1CN/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000020761761 263381809 /nfs/dbraw/zinc/38/18/09/263381809.db2.gz IEIPYPPLGVGNCC-DHRITJCHSA-N 0 0 374.362 5.098 40 30 FKEBRN COc1ccccc1CN/N=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020761878 263383133 /nfs/dbraw/zinc/38/31/33/263383133.db2.gz FUEUUZCDDHMQTR-YDZHTSKRSA-N 0 0 354.837 5.041 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000020797127 220341872 /nfs/dbraw/zinc/34/18/72/220341872.db2.gz YELVRXVMAKSKGQ-JOCHJYFZSA-N 0 0 353.425 5.067 40 30 FKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000020797131 211294848 /nfs/dbraw/zinc/29/48/48/211294848.db2.gz YELVRXVMAKSKGQ-QFIPXVFZSA-N 0 0 353.425 5.067 40 30 FKEBRN CC[C@@H]1CSC(=Nc2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 ZINC000021541292 523519790 /nfs/dbraw/zinc/51/97/90/523519790.db2.gz XDNDHKWIWKTDFZ-VLZBMTSBSA-N 0 0 366.530 5.310 40 30 FKEBRN CC[C@H]1CSC(=Nc2ccc(C)cc2C)N1CC(=O)c1ccc(C)cc1 ZINC000021541294 523353244 /nfs/dbraw/zinc/35/32/44/523353244.db2.gz XDNDHKWIWKTDFZ-ZABCRHKISA-N 0 0 366.530 5.310 40 30 FKEBRN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1 ZINC000021722398 220365025 /nfs/dbraw/zinc/36/50/25/220365025.db2.gz FJUOMZBLLGHOPS-QHCPKHFHSA-N 0 0 374.484 5.158 40 30 FKEBRN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1 ZINC000021722400 220364225 /nfs/dbraw/zinc/36/42/25/220364225.db2.gz FJUOMZBLLGHOPS-HSZRJFAPSA-N 0 0 374.484 5.158 40 30 FKEBRN N#Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258139 211344684 /nfs/dbraw/zinc/34/46/84/211344684.db2.gz ZOROEWYSAAPQRQ-UHFFFAOYSA-N 0 0 362.816 5.043 40 30 FKEBRN N#Cc1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000022258143 571336523 /nfs/dbraw/zinc/33/65/23/571336523.db2.gz YQEKCWZUQMDJGC-UHFFFAOYSA-N 0 0 362.816 5.043 40 30 FKEBRN N#Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258148 571336515 /nfs/dbraw/zinc/33/65/15/571336515.db2.gz BOCFEHCTALHAFF-UHFFFAOYSA-N 0 0 362.816 5.043 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c1 ZINC000022534937 220389726 /nfs/dbraw/zinc/38/97/26/220389726.db2.gz LMONQMDEQYPKMG-GOSISDBHSA-N 0 0 361.894 5.414 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c1 ZINC000022534943 571145086 /nfs/dbraw/zinc/14/50/86/571145086.db2.gz LMONQMDEQYPKMG-SFHVURJKSA-N 0 0 361.894 5.414 40 30 FKEBRN N#Cc1cc(Sc2ccc(Cl)cc2)c(N2CCCCCC2)cc1C#N ZINC000024522924 210162111 /nfs/dbraw/zinc/16/21/11/210162111.db2.gz BZPQXDBMCXYNMX-UHFFFAOYSA-N 0 0 367.905 5.615 40 30 FKEBRN CC(C)(C)c1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000025390464 519013335 /nfs/dbraw/zinc/01/33/35/519013335.db2.gz XZPFUIMJGVMFGP-JFNQZVQLSA-N 0 0 368.480 5.690 40 30 FKEBRN S=C(N/N=C\c1c2ccccc2cc2ccccc21)Nc1ccccc1 ZINC000025693435 568583942 /nfs/dbraw/zinc/58/39/42/568583942.db2.gz IOXANBGTOKHNTB-HAHDFKILSA-N 0 0 355.466 5.314 40 30 FKEBRN Oc1ccc(Cl)cc1/C=N\c1cccc2c(-c3ccccc3)ccnc12 ZINC000025693701 570999308 /nfs/dbraw/zinc/99/93/08/570999308.db2.gz KPLLIUPNPRJSKQ-QFEZKATASA-N 0 0 358.828 6.011 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C)c1C ZINC000026570109 571149345 /nfs/dbraw/zinc/14/93/45/571149345.db2.gz VVDPELJRYRZYGT-UHFFFAOYSA-O 0 0 355.914 5.902 40 30 FKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000026570132 210161822 /nfs/dbraw/zinc/16/18/22/210161822.db2.gz NJAUZLRHXDPNLC-UHFFFAOYSA-O 0 0 361.412 5.651 40 30 FKEBRN CN(C)c1ccc(/C=C2/CCC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 ZINC000026570987 571006775 /nfs/dbraw/zinc/00/67/75/571006775.db2.gz XRJCFZUOXQVWGF-ISPAOBMBSA-N 0 0 360.501 5.039 40 30 FKEBRN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@@H](C)CCCc2ccccc2)c1 ZINC000026780278 518647558 /nfs/dbraw/zinc/64/75/58/518647558.db2.gz IUJIUKQDBDBSPG-IBGZPJMESA-N 0 0 364.533 5.665 40 30 FKEBRN C=C(C)c1cccc(C(C)(C)NC(=O)N[C@H](C)CCCc2ccccc2)c1 ZINC000026780280 518647431 /nfs/dbraw/zinc/64/74/31/518647431.db2.gz IUJIUKQDBDBSPG-LJQANCHMSA-N 0 0 364.533 5.665 40 30 FKEBRN CC(C)(C)C1=CC(=NSc2ccc(Cl)cc2)C=C(C(C)(C)C)C1=O ZINC000026787376 204855638 /nfs/dbraw/zinc/85/56/38/204855638.db2.gz MBKQCBFELPAVEQ-UHFFFAOYSA-N 0 0 361.938 6.316 40 30 FKEBRN CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(C)cc2)S1 ZINC000026896820 207923457 /nfs/dbraw/zinc/92/34/57/207923457.db2.gz FNSPAUJKJDTNRG-SFHVURJKSA-N 0 0 368.523 5.590 40 30 FKEBRN CCSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(C)cc2)S1 ZINC000026896822 571202863 /nfs/dbraw/zinc/20/28/63/571202863.db2.gz FNSPAUJKJDTNRG-GOSISDBHSA-N 0 0 368.523 5.590 40 30 FKEBRN CSC1=C(C(=O)c2ccccc2)C(=O)C[C@@H](c2ccc(Cl)cc2)S1 ZINC000026896844 571202990 /nfs/dbraw/zinc/20/29/90/571202990.db2.gz UVPZUWPGBCNCAX-INIZCTEOSA-N 0 0 374.914 5.545 40 30 FKEBRN CSC1=C(C(=O)c2ccccc2)C(=O)C[C@H](c2ccc(Cl)cc2)S1 ZINC000026896845 211456442 /nfs/dbraw/zinc/45/64/42/211456442.db2.gz UVPZUWPGBCNCAX-MRXNPFEDSA-N 0 0 374.914 5.545 40 30 FKEBRN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(Cl)cc1 ZINC000027586218 210163386 /nfs/dbraw/zinc/16/33/86/210163386.db2.gz XMUPUHBKWHGLCX-UHFFFAOYSA-N 0 0 374.875 5.830 40 30 FKEBRN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(OC)cc1 ZINC000027586220 571149986 /nfs/dbraw/zinc/14/99/86/571149986.db2.gz LMHXMUVEJAVLOF-UHFFFAOYSA-N 0 0 370.456 5.185 40 30 FKEBRN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1cccc(C)c1 ZINC000027586226 210163795 /nfs/dbraw/zinc/16/37/95/210163795.db2.gz ARGCTRRPZCUFGP-UHFFFAOYSA-N 0 0 354.457 5.485 40 30 FKEBRN C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1Nc1ccc(F)cc1 ZINC000027586237 571149990 /nfs/dbraw/zinc/14/99/90/571149990.db2.gz XQSFDBYHFAWALP-UHFFFAOYSA-N 0 0 358.420 5.316 40 30 FKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCC(=O)OC ZINC000027644519 571016580 /nfs/dbraw/zinc/01/65/80/571016580.db2.gz WBYKJDXNMZXEMM-GGMSBKLZSA-N 0 0 358.522 5.849 40 30 in-vitro FKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1CCC(=O)OC ZINC000027644526 571016773 /nfs/dbraw/zinc/01/67/73/571016773.db2.gz WBYKJDXNMZXEMM-WAZQTNMISA-N 0 0 358.522 5.849 40 30 in-vitro FKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1CCC(=O)OC ZINC000027644533 571016433 /nfs/dbraw/zinc/01/64/33/571016433.db2.gz WBYKJDXNMZXEMM-ROZQCSHQSA-N 0 0 358.522 5.849 40 30 in-vitro FKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCC(=O)OC ZINC000027644538 571016458 /nfs/dbraw/zinc/01/64/58/571016458.db2.gz WBYKJDXNMZXEMM-AGCIBMADSA-N 0 0 358.522 5.849 40 30 in-vitro FKEBRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H]1CO1 ZINC000027647125 571319360 /nfs/dbraw/zinc/31/93/60/571319360.db2.gz ACYNJBAUKQMZDF-HUDVFFLJSA-N 0 0 360.538 6.074 40 30 in-vitro FKEBRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1CO1 ZINC000027647131 220541908 /nfs/dbraw/zinc/54/19/08/220541908.db2.gz ACYNJBAUKQMZDF-NZRYSPDRSA-N 0 0 360.538 6.074 40 30 in-vitro FKEBRN CCCCCC/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027750710 210164351 /nfs/dbraw/zinc/16/43/51/210164351.db2.gz KXYYSIOPIKBULU-LFVJCYFKSA-N 0 0 365.908 6.192 40 30 FKEBRN C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(C(=O)OCC)cc1 ZINC000027751886 210163370 /nfs/dbraw/zinc/16/33/70/210163370.db2.gz AIUKRDSWVCBGJH-UHFFFAOYSA-N 0 0 373.456 5.101 40 30 FKEBRN Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1=Cc1ccc(F)cc1 ZINC000028294957 220572194 /nfs/dbraw/zinc/57/21/94/220572194.db2.gz PRCBYAGGCLXXOY-NVMNQCDNSA-N 0 0 370.449 5.491 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc([N+](=O)[O-])c1 ZINC000028295606 571150280 /nfs/dbraw/zinc/15/02/80/571150280.db2.gz NGWWHSQPOWINBO-UHFFFAOYSA-O 0 0 372.857 5.194 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1Cl ZINC000028295608 571150200 /nfs/dbraw/zinc/15/02/00/571150200.db2.gz QFDADRMACCWFJZ-UHFFFAOYSA-O 0 0 362.305 5.939 40 30 FKEBRN CCCCCCCCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O ZINC000028536893 519990238 /nfs/dbraw/zinc/99/02/38/519990238.db2.gz LLHUGCSADCEHKM-UHFFFAOYSA-N 0 0 364.526 5.962 40 30 FKEBRN O=C1C[C@@H](c2ccccc2)S[C@@H](c2ccccc2)/C1=C/c1ccccc1 ZINC000028617235 571340093 /nfs/dbraw/zinc/34/00/93/571340093.db2.gz APOLUKMMVZLGCM-MOVXLXCVSA-N 0 0 356.490 6.259 40 30 FKEBRN O=C1C[C@H](c2ccccc2)S[C@@H](c2ccccc2)/C1=C/c1ccccc1 ZINC000028617237 571340066 /nfs/dbraw/zinc/34/00/66/571340066.db2.gz APOLUKMMVZLGCM-KBKNDNMYSA-N 0 0 356.490 6.259 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1C ZINC000028627943 519148108 /nfs/dbraw/zinc/14/81/08/519148108.db2.gz UJKNTUVBTGSYMT-XDOYNYLZSA-N 0 0 354.906 5.905 40 30 FKEBRN C=CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccccc1 ZINC000028627947 518833605 /nfs/dbraw/zinc/83/36/05/518833605.db2.gz YLCCWBYOLBTXIC-ZFAMVZCKSA-N 0 0 354.862 5.130 40 30 FKEBRN Cc1cc(C)c2c(n1)sc1c2nc(N)c(C#N)c1-c1ccc(Cl)cc1 ZINC000028632589 571340241 /nfs/dbraw/zinc/34/02/41/571340241.db2.gz KLQAKHJYKRZIMK-UHFFFAOYSA-N 0 0 364.861 5.236 40 30 FKEBRN C[C@@H](/C=N/O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000030728954 571049179 /nfs/dbraw/zinc/04/91/79/571049179.db2.gz LPFFRMGUWCHBIL-YMTOYBDESA-N 0 0 358.526 5.492 40 30 in-vitro FKEBRN CCCCCCCCC[C@@](C)(O)C#C[C@@](C)(O)CCCCCCCCC ZINC000030729234 208004370 /nfs/dbraw/zinc/00/43/70/208004370.db2.gz SVJREAUWQPERAY-PSWAGMNNSA-N 0 0 366.630 6.773 40 30 in-vitro FKEBRN CCCCCCCCC[C@](C)(O)C#C[C@@](C)(O)CCCCCCCCC ZINC000030729238 571049191 /nfs/dbraw/zinc/04/91/91/571049191.db2.gz SVJREAUWQPERAY-ZEQRLZLVSA-N 0 0 366.630 6.773 40 30 in-vitro FKEBRN CCCCCCCCC[C@@](C)(O)C#C[C@](C)(O)CCCCCCCCC ZINC000030729242 571049220 /nfs/dbraw/zinc/04/92/20/571049220.db2.gz SVJREAUWQPERAY-DNQXCXABSA-N 0 0 366.630 6.773 40 30 in-vitro FKEBRN C=CCc1cc(C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1OC ZINC000030851210 263391262 /nfs/dbraw/zinc/39/12/62/263391262.db2.gz PSMXEAMWWQLVEA-DEOSSOPVSA-N 0 0 371.480 5.252 40 30 FKEBRN C=CCc1cc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1OC ZINC000030851216 263391036 /nfs/dbraw/zinc/39/10/36/263391036.db2.gz PSMXEAMWWQLVEA-XMMPIXPASA-N 0 0 371.480 5.252 40 30 FKEBRN [N-]=[N+]=Nc1ccc(C=C2CCCC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 ZINC000031319878 571054092 /nfs/dbraw/zinc/05/40/92/571054092.db2.gz UZNOMHUYXSAUPB-RFTYBOQRSA-N 0 0 356.389 6.790 40 30 FKEBRN [N-]=[N+]=Nc1ccc(C=C2CCCC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 ZINC000031319882 211530699 /nfs/dbraw/zinc/53/06/99/211530699.db2.gz UZNOMHUYXSAUPB-UNZYHPAISA-N 0 0 356.389 6.790 40 30 FKEBRN [N-]=[N+]=Nc1ccc(C=C2CCCC(=Cc3ccc(N=[N+]=[N-])cc3)C2=O)cc1 ZINC000031319885 220636927 /nfs/dbraw/zinc/63/69/27/220636927.db2.gz UZNOMHUYXSAUPB-MCOFMCJXSA-N 0 0 356.389 6.790 40 30 FKEBRN COc1ccc2c(C)cc(NN=Cc3ccc(OC)c4ccccc34)nc2c1 ZINC000031769284 571055672 /nfs/dbraw/zinc/05/56/72/571055672.db2.gz UXTPIEAVVBFYIV-OYKKKHCWSA-N 0 0 371.440 5.160 40 30 FKEBRN CCCCN(CCCC)[C@@]1(c2ccccc2)OC(c2ccccc2)=CC1=O ZINC000031772955 571055429 /nfs/dbraw/zinc/05/54/29/571055429.db2.gz QPWLRILOMZGPPY-DEOSSOPVSA-N 0 0 363.501 5.382 40 30 FKEBRN CCCCN(CCCC)[C@]1(c2ccccc2)OC(c2ccccc2)=CC1=O ZINC000031772957 571055677 /nfs/dbraw/zinc/05/56/77/571055677.db2.gz QPWLRILOMZGPPY-XMMPIXPASA-N 0 0 363.501 5.382 40 30 FKEBRN C(c1ccccc1)=C1CCCC(Cc2ccccc2)=C1N=Nc1ccccc1 ZINC000031830005 571055997 /nfs/dbraw/zinc/05/59/97/571055997.db2.gz QQRAQEBHQRSEGT-SRPFLQSCSA-N 0 0 364.492 6.806 40 30 FKEBRN O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C/c1ccc(O)cc1 ZINC000031871349 204922142 /nfs/dbraw/zinc/92/21/42/204922142.db2.gz IMLOAMSUXFEQKT-MBKDJOQRSA-N 0 0 359.252 5.919 40 30 FKEBRN O=C1/C(=C/c2ccc(O)cc2)CCC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000031871350 571055983 /nfs/dbraw/zinc/05/59/83/571055983.db2.gz IMLOAMSUXFEQKT-RWPWKDLBSA-N 0 0 359.252 5.919 40 30 FKEBRN O=C(/C=C/c1ccccc1)c1ccc(OC(=O)/C=C\c2ccccc2)cc1 ZINC000031872611 263392447 /nfs/dbraw/zinc/39/24/47/263392447.db2.gz XQZXRYFHQGNJJS-HMQSQOOHSA-N 0 0 354.405 5.202 40 30 FKEBRN O=C(/C=C/c1ccccc1)Oc1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC000031872613 263392434 /nfs/dbraw/zinc/39/24/34/263392434.db2.gz XQZXRYFHQGNJJS-MJZABRMRSA-N 0 0 354.405 5.202 40 30 FKEBRN C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000031894582 208019228 /nfs/dbraw/zinc/01/92/28/208019228.db2.gz OMLHTHDNMOEJMF-QXVBGXPVSA-N 0 0 357.280 6.459 40 30 FKEBRN COc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000032100070 523536034 /nfs/dbraw/zinc/53/60/34/523536034.db2.gz BRGSSWUORSDFSG-VDNSQZRBSA-N 0 0 357.413 5.919 40 30 FKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000032100113 527596257 /nfs/dbraw/zinc/59/62/57/527596257.db2.gz SLPWDFZNCKAZLT-LXNJSCKXSA-N 0 0 361.832 6.564 40 30 FKEBRN O=C(C=CNc1ccc(Cl)cc1Br)c1ccc(Cl)cc1 ZINC000032100146 208025195 /nfs/dbraw/zinc/02/51/95/208025195.db2.gz IZYBQNTYVOEGQC-BQYQJAHWSA-N 0 0 371.061 5.564 40 30 FKEBRN O=C(C=CNc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000032100180 204925440 /nfs/dbraw/zinc/92/54/40/204925440.db2.gz QJUZZGXPBNRBSO-CMDGGOBGSA-N 0 0 371.061 5.564 40 30 FKEBRN CCOC(=O)c1cccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000032100199 521535564 /nfs/dbraw/zinc/53/55/64/521535564.db2.gz JCORBZFSRLKILX-FOCLMDBBSA-N 0 0 371.436 5.339 40 30 FKEBRN O=C(C=CNc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 ZINC000032100202 571056505 /nfs/dbraw/zinc/05/65/05/571056505.db2.gz RTESCDWWMWAHKV-CCEZHUSRSA-N 0 0 367.370 6.181 40 30 FKEBRN CCCOc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000032100211 520384044 /nfs/dbraw/zinc/38/40/44/520384044.db2.gz QIEHLRFQVHYIIV-WUKNDPDISA-N 0 0 357.453 5.951 40 30 FKEBRN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000032100244 211544910 /nfs/dbraw/zinc/54/49/10/211544910.db2.gz LBMXZOUYFFKPLM-ZHACJKMWSA-N 0 0 368.263 6.469 40 30 FKEBRN O=C(C=CNc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1 ZINC000032100247 208026048 /nfs/dbraw/zinc/02/60/48/208026048.db2.gz SYLPAYYHYMSRAC-BUHFOSPRSA-N 0 0 368.263 6.469 40 30 FKEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000032100249 571056575 /nfs/dbraw/zinc/05/65/75/571056575.db2.gz YNIGOAJGOGKOQW-OUKQBFOZSA-N 0 0 368.263 6.469 40 30 FKEBRN CC(=CC(=O)c1ccccc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032100289 571056408 /nfs/dbraw/zinc/05/64/08/571056408.db2.gz NFZSPMMGWVHTIE-YRNVUSSQSA-N 0 0 373.296 5.923 40 30 FKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000032100334 523536208 /nfs/dbraw/zinc/53/62/08/523536208.db2.gz CTODLMRTDCXVLV-WUKNDPDISA-N 0 0 359.425 5.686 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000032100422 571056489 /nfs/dbraw/zinc/05/64/89/571056489.db2.gz ZEKSVMYVICSEOR-FMIVXFBMSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Cl)cc1Br ZINC000032100439 571056326 /nfs/dbraw/zinc/05/63/26/571056326.db2.gz WDYJCEHXMJPGPU-FMIVXFBMSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Cl)c(Br)c1 ZINC000032100442 571056420 /nfs/dbraw/zinc/05/64/20/571056420.db2.gz MOAYZUVPLCCEPG-FMIVXFBMSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1Cl ZINC000032100469 571056485 /nfs/dbraw/zinc/05/64/85/571056485.db2.gz VQJDNSODNXUXLK-ZRDIBKRKSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(Cl)c1 ZINC000032100473 204926995 /nfs/dbraw/zinc/92/69/95/204926995.db2.gz RUJNTQPPRIIPLX-CSKARUKUSA-N 0 0 368.633 5.440 40 30 FKEBRN CCc1cccc(C)c1NC(C)=CC(=O)c1ccc(Br)cc1 ZINC000032100481 220657261 /nfs/dbraw/zinc/65/72/61/220657261.db2.gz QKZXHUHSYYXXAW-WYMLVPIESA-N 0 0 358.279 5.519 40 30 FKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1C(C)C ZINC000032100496 208026310 /nfs/dbraw/zinc/02/63/10/208026310.db2.gz VFVACLCUNNEKGU-WYMLVPIESA-N 0 0 358.279 5.771 40 30 FKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1C ZINC000032100518 571056371 /nfs/dbraw/zinc/05/63/71/571056371.db2.gz CQNOEMRAJGVHLH-ZHACJKMWSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(Br)c1 ZINC000032100526 571056394 /nfs/dbraw/zinc/05/63/94/571056394.db2.gz LUFKDNAKCRLKPV-PKNBQFBNSA-N 0 0 350.643 5.301 40 30 FKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032100544 518432040 /nfs/dbraw/zinc/43/20/40/518432040.db2.gz VCEFXTPXDZRFTD-FOCLMDBBSA-N 0 0 363.844 6.331 40 30 FKEBRN CC(=CC(=O)c1cccnc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032100635 208025239 /nfs/dbraw/zinc/02/52/39/208025239.db2.gz YLMXYPMRTYEQTB-BJMVGYQFSA-N 0 0 374.284 5.318 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Br)c(Cl)c1 ZINC000032101509 571056349 /nfs/dbraw/zinc/05/63/49/571056349.db2.gz IIEZSSLNBBFQHN-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Br ZINC000032101520 208026344 /nfs/dbraw/zinc/02/63/44/208026344.db2.gz AEIJLCQMRSSRSB-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Br)c1 ZINC000032101523 571056414 /nfs/dbraw/zinc/05/64/14/571056414.db2.gz ZCABAIVVKCTNNM-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12 ZINC000032101659 571056905 /nfs/dbraw/zinc/05/69/05/571056905.db2.gz WFZAUSVKPJSZIL-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N/c2ccc(Cl)cc2Br)ccc2ccccc12 ZINC000032101694 571056972 /nfs/dbraw/zinc/05/69/72/571056972.db2.gz BWIZWANOEHYZIH-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N/c2ccc(Cl)c(Br)c2)ccc2ccccc12 ZINC000032101697 208025294 /nfs/dbraw/zinc/02/52/94/208025294.db2.gz GYOMIQWMDLGDRK-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(C)cc(Cl)c2O)cc1OC ZINC000032114740 571056835 /nfs/dbraw/zinc/05/68/35/571056835.db2.gz GEMDAGQTYSAWIS-WSDLNYQXSA-N 0 0 374.868 5.242 40 30 FKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(C)c2O)cc1OC ZINC000032115269 208025013 /nfs/dbraw/zinc/02/50/13/208025013.db2.gz RQNIVSJIHPSURO-WSDLNYQXSA-N 0 0 374.868 5.242 40 30 FKEBRN O=C1/C(=C\c2cccnc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000032124792 571083255 /nfs/dbraw/zinc/08/32/55/571083255.db2.gz STTITXBGKXWPOC-QSAWGAGVSA-N 0 0 363.486 5.018 40 30 FKEBRN Cc1ccc(Sc2ccc(C=NNc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000032124827 525671071 /nfs/dbraw/zinc/67/10/71/525671071.db2.gz IEDOIEAJFQLLDV-STZFKDTASA-N 0 0 363.442 5.500 40 30 FKEBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)C(Cl)(Cl)Cl ZINC000032127571 571057375 /nfs/dbraw/zinc/05/73/75/571057375.db2.gz NTLJDVWLNIJQCL-UHFFFAOYSA-N 0 0 364.468 5.561 40 30 FKEBRN O=C(C=CNc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000032138867 204927033 /nfs/dbraw/zinc/92/70/33/204927033.db2.gz KLJDQRDVLORRRR-OUKQBFOZSA-N 0 0 368.263 6.469 40 30 FKEBRN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000032138868 521479336 /nfs/dbraw/zinc/47/93/36/521479336.db2.gz QZTKZBUEOGMERA-WUKNDPDISA-N 0 0 371.436 5.339 40 30 FKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cc(Cl)ccc1C ZINC000032138873 571057334 /nfs/dbraw/zinc/05/73/34/571057334.db2.gz JXEJECPYBKJHOF-FMIVXFBMSA-N 0 0 364.670 5.610 40 30 FKEBRN CC(=CC(=O)c1ccccc1)Nc1ccc(Br)cc1Cl ZINC000032194169 571057403 /nfs/dbraw/zinc/05/74/03/571057403.db2.gz KVUAXQXGGBNTIM-PKNBQFBNSA-N 0 0 350.643 5.301 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Br)cc1Cl ZINC000032194175 571057455 /nfs/dbraw/zinc/05/74/55/571057455.db2.gz WIUVEEBDFWVGGG-FMIVXFBMSA-N 0 0 364.670 5.610 40 30 FKEBRN Oc1c(/C=N\c2ccc(Br)cc2Cl)ccc2ccccc12 ZINC000032194198 571057412 /nfs/dbraw/zinc/05/74/12/571057412.db2.gz SOHCAKFFDPHBMU-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000032194221 523535329 /nfs/dbraw/zinc/53/53/29/523535329.db2.gz OECNJPNASSVPSM-BHSNZVRNSA-N 0 0 371.440 6.309 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000032194226 518431700 /nfs/dbraw/zinc/43/17/00/518431700.db2.gz PLHRSFVRMDPWFE-SLHUAAHYSA-N 0 0 355.441 6.609 40 30 FKEBRN Cc1ccc(N=C2NC(=O)SC2=Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000032597686 525968213 /nfs/dbraw/zinc/96/82/13/525968213.db2.gz RHOXWLKAMYTGRU-AQTBWJFISA-N 0 0 350.487 6.024 40 30 FKEBRN CCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1OC ZINC000032653945 520323023 /nfs/dbraw/zinc/32/30/23/520323023.db2.gz BCDDOFHGNUCBTA-BKUYFWCQSA-N 0 0 367.474 5.054 40 30 FKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(OCc2ccccc2)cc1 ZINC000033366126 571084777 /nfs/dbraw/zinc/08/47/77/571084777.db2.gz YQUJOCXTRSSULP-JLPGSUDCSA-N 0 0 373.481 5.711 40 30 FKEBRN N#Cc1ccc(C=Cc2ccccc2C=NNc2ccccc2)c([N+](=O)[O-])c1 ZINC000033368254 526585309 /nfs/dbraw/zinc/58/53/09/526585309.db2.gz CHYFQTBWBGACDI-ISMYTQSWSA-N 0 0 368.396 5.083 40 30 FKEBRN Brc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1 ZINC000033377350 571084765 /nfs/dbraw/zinc/08/47/65/571084765.db2.gz XZFVMCIFBSIIIC-VCHYOVAHSA-N 0 0 358.264 5.019 40 30 FKEBRN CC(=NNc1ccccc1Br)c1ccc(-c2ccccc2)cc1 ZINC000033387345 571064914 /nfs/dbraw/zinc/06/49/14/571064914.db2.gz MZFGWAGPZVFDRW-JCMHNJIXSA-N 0 0 365.274 5.952 40 30 FKEBRN CCn1c2ccccc2c2cc(C=NNc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000033388245 571084694 /nfs/dbraw/zinc/08/46/94/571084694.db2.gz YLUUSIHKUJQCAZ-HMAPJEAMSA-N 0 0 358.401 5.169 40 30 FKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000033394588 571084800 /nfs/dbraw/zinc/08/48/00/571084800.db2.gz IBAPMCJLYLGHRH-KOEQRZSOSA-N 0 0 369.493 6.313 40 30 FKEBRN C(=NN=c1[nH]c2ccccc2s1)c1cccc(OCc2ccccc2)c1 ZINC000033395724 571084679 /nfs/dbraw/zinc/08/46/79/571084679.db2.gz CAXUSBRFKNHHGJ-HMAPJEAMSA-N 0 0 359.454 5.321 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl ZINC000033405621 571084866 /nfs/dbraw/zinc/08/48/66/571084866.db2.gz BENNASCMHHJLCO-MTJSOVHGSA-N 0 0 368.824 5.102 40 30 FKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@@H]5[C@H]4CC[C@@H]3[C@@H]12 ZINC000033413581 571310523 /nfs/dbraw/zinc/31/05/23/571310523.db2.gz JUCXASFMDNFCEE-DOEJZVRKSA-N 0 0 368.561 5.606 40 30 FKEBRN Clc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c(Cl)c1 ZINC000033468246 571085193 /nfs/dbraw/zinc/08/51/93/571085193.db2.gz VFQWWPKBQICNLP-FBHDLOMBSA-N 0 0 371.227 5.576 40 30 FKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(Cl)c(Cl)c1 ZINC000033533813 571185563 /nfs/dbraw/zinc/18/55/63/571185563.db2.gz XSAKRLWJJWIKMQ-YVNNLAQVSA-N 0 0 364.663 6.031 40 30 FKEBRN N#Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000033579972 210168302 /nfs/dbraw/zinc/16/83/02/210168302.db2.gz UWYHEMKFJMZBTR-UHFFFAOYSA-N 0 0 357.034 5.207 40 30 FKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000033618467 571310583 /nfs/dbraw/zinc/31/05/83/571310583.db2.gz WLQUBGQFRGCHKC-YZSQISJMSA-N 0 0 373.475 6.229 40 30 FKEBRN C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC ZINC000033645785 571085055 /nfs/dbraw/zinc/08/50/55/571085055.db2.gz WACLCVBXYVXWJY-UHFFFAOYSA-N 0 0 366.244 5.209 40 30 FKEBRN C=CCOc1ccc(Br)cc1CNc1ccccc1Cl ZINC000033671442 571305749 /nfs/dbraw/zinc/30/57/49/571305749.db2.gz MYOLPAMQZMXSNR-UHFFFAOYSA-N 0 0 352.659 5.279 40 30 FKEBRN CCC(=O)O[C@@H]1CCC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000033679691 208096899 /nfs/dbraw/zinc/09/68/99/208096899.db2.gz VBXGBFDLNSIXQO-WFTGQSOZSA-N 0 0 358.522 5.230 40 30 FKEBRN CCC(=O)O[C@H]1CCC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000033679693 204973331 /nfs/dbraw/zinc/97/33/31/204973331.db2.gz VBXGBFDLNSIXQO-OBGHECQKSA-N 0 0 358.522 5.230 40 30 FKEBRN CCC(=O)O[C@@H]1CCC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000033679694 208095709 /nfs/dbraw/zinc/09/57/09/208095709.db2.gz VBXGBFDLNSIXQO-XPRTXTSQSA-N 0 0 358.522 5.230 40 30 FKEBRN CCC(=O)O[C@H]1CCC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000033679695 517531077 /nfs/dbraw/zinc/53/10/77/517531077.db2.gz VBXGBFDLNSIXQO-NGJIECEZSA-N 0 0 358.522 5.230 40 30 FKEBRN CC(CCc1ccccc1)N=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033733340 571185552 /nfs/dbraw/zinc/18/55/52/571185552.db2.gz SSGFRTULMVPRBB-MTJSOVHGSA-N 0 0 351.328 5.034 40 30 FKEBRN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000033733898 571185615 /nfs/dbraw/zinc/18/56/15/571185615.db2.gz ZHHAQBXSQDCTSB-UKWGHVSLSA-N 0 0 353.636 6.229 40 30 FKEBRN CC(C)Oc1ccc(C(=O)C=CNc2cccc(Cl)c2Cl)cc1 ZINC000033741328 571310643 /nfs/dbraw/zinc/31/06/43/571310643.db2.gz YBVNOFHZEUNNPB-ZHACJKMWSA-N 0 0 350.245 5.589 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 ZINC000033742551 571310632 /nfs/dbraw/zinc/31/06/32/571310632.db2.gz JGOJKNNVYDRHLR-ZMOGYAJESA-N 0 0 354.400 5.522 40 30 FKEBRN C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC ZINC000033743642 571305855 /nfs/dbraw/zinc/30/58/55/571305855.db2.gz JZYJLHLMFBDUNH-UHFFFAOYSA-N 0 0 366.244 5.209 40 30 FKEBRN CC(=NN=c1[nH]c2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1Cl ZINC000033757123 571185600 /nfs/dbraw/zinc/18/56/00/571185600.db2.gz MJRMYABQYPOCCE-WNFQYIGGSA-N 0 0 353.640 5.359 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OCC ZINC000033767585 571305968 /nfs/dbraw/zinc/30/59/68/571305968.db2.gz IMSBUYHVUBERGD-UHFFFAOYSA-N 0 0 352.261 5.569 40 30 FKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000033777736 571310658 /nfs/dbraw/zinc/31/06/58/571310658.db2.gz RLHHAWUSMWTRMM-YZSQISJMSA-N 0 0 358.460 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ZINC000033957406 571067390 /nfs/dbraw/zinc/06/73/90/571067390.db2.gz UVQJZCDBSITYNI-HOZJRGJNSA-N 0 0 372.512 5.723 40 30 FKEBRN CC(N=Nc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccncc1 ZINC000034254210 571185579 /nfs/dbraw/zinc/18/55/79/571185579.db2.gz WNAWWPQXMTWEPS-WGARJPEWSA-N 0 0 373.847 5.181 40 30 FKEBRN CCCOc1ccc(C#Cc2ccc(C3CCC(CCC)CC3)cc2)cc1 ZINC000034365136 520325786 /nfs/dbraw/zinc/32/57/86/520325786.db2.gz KPRYWLQZHXTLHW-UHFFFAOYSA-N 0 0 360.541 6.949 40 30 FKEBRN C=CCc1cc(CO)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000034772861 570438315 /nfs/dbraw/zinc/43/83/15/570438315.db2.gz BZXHFGSNTOERJW-UHFFFAOYSA-N 0 0 367.272 5.192 40 30 FKEBRN CC/C(=N/NC(=S)Nc1ccc(C(C)C)cc1)c1cccc(Cl)c1 ZINC000034853871 520176201 /nfs/dbraw/zinc/17/62/01/520176201.db2.gz DXLBPDJYGHPZMW-PYCFMQQDSA-N 0 0 359.926 5.564 40 30 FKEBRN Cc1nc(N)c(C#N)c(-c2cccc(Cl)c2Cl)c1-c1ccccc1 ZINC000034954188 570865450 /nfs/dbraw/zinc/86/54/50/570865450.db2.gz OFNIPNCBWIKELF-UHFFFAOYSA-N 0 0 354.240 5.485 40 30 FKEBRN 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QPIIRHXMDTZEKB-CIAFOILYSA-N 0 0 364.861 5.458 40 30 FKEBRN CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 ZINC000049878676 221028774 /nfs/dbraw/zinc/02/87/74/221028774.db2.gz BQWQGCZOPQEUIQ-UHFFFAOYSA-N 0 0 366.498 5.661 40 30 FKEBRN CCC(C)N=Nc1nc2c(cc(Br)cc2C(F)(F)F)s1 ZINC000057327439 571207392 /nfs/dbraw/zinc/20/73/92/571207392.db2.gz ZIFPQDMXHNVKGM-FXBPXSCXSA-N 0 0 366.206 5.275 40 30 FKEBRN CCC(C)N=Nc1nc2cc(C(F)(F)F)c(Br)cc2s1 ZINC000057327567 571207475 /nfs/dbraw/zinc/20/74/75/571207475.db2.gz OJLFVCJQQSITRP-FXBPXSCXSA-N 0 0 366.206 5.275 40 30 FKEBRN CCC(C)N=Nc1nc2c(cc(Cl)cc2[C@H](O)c2ccccc2)s1 ZINC000057327706 206783250 /nfs/dbraw/zinc/78/32/50/206783250.db2.gz ABMOZDBPJVQFTO-BYINCCNUSA-N 0 0 359.882 5.229 40 30 FKEBRN CCC(C)N=Nc1nc2c(cc(Cl)cc2[C@@H](O)c2ccccc2)s1 ZINC000057327710 571207450 /nfs/dbraw/zinc/20/74/50/571207450.db2.gz ABMOZDBPJVQFTO-QREGZJMFSA-N 0 0 359.882 5.229 40 30 FKEBRN CCC(C)N=Nc1nc2cc3nc(N=NC(C)CC)sc3cc2s1 ZINC000057327721 571207445 /nfs/dbraw/zinc/20/74/45/571207445.db2.gz OIIOSDAIGFCHAI-KFSYKRRRSA-N 0 0 360.512 5.302 40 30 FKEBRN CCC(C)N=Nc1nc2c(cc(C)c3nc(N=NC(C)CC)sc23)s1 ZINC000057327740 571207491 /nfs/dbraw/zinc/20/74/91/571207491.db2.gz RFWLWVRHWRVULA-JTMCVSSMSA-N 0 0 374.539 5.610 40 30 FKEBRN CC(C)N=Nc1nc2c(cc(Cl)c3nc(N=NC(C)C)sc23)s1 ZINC000057327748 203903446 /nfs/dbraw/zinc/90/34/46/203903446.db2.gz SXGVPCPDVFNDJG-UHFFFAOYSA-N 0 0 366.903 5.175 40 30 FKEBRN Cc1sc(NC(=O)CSc2ccc3ccccc3c2)c(C#N)c1C ZINC000058186545 571306588 /nfs/dbraw/zinc/30/65/88/571306588.db2.gz LDXHOQAJBVEDGT-UHFFFAOYSA-N 0 0 352.484 5.121 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccccc1 ZINC000058583525 519969055 /nfs/dbraw/zinc/96/90/55/519969055.db2.gz QHXGFOCPQQADIF-KTKRTIGZSA-N 0 0 371.609 7.340 40 30 biogenic,in-vitro FKEBRN C(=NNc1ccccc1)c1ccc(OCc2cccc3ccccc32)cc1 ZINC000058822684 571086605 /nfs/dbraw/zinc/08/66/05/571086605.db2.gz ZNHKJTSGNNAHFY-KOEQRZSOSA-N 0 0 352.437 5.865 40 30 FKEBRN C(=NNc1ccccc1)c1cccc(OCc2cccc3ccccc32)c1 ZINC000058822687 571086429 /nfs/dbraw/zinc/08/64/29/571086429.db2.gz ZHBUMDFDJJIYMK-KOEQRZSOSA-N 0 0 352.437 5.865 40 30 FKEBRN C(=NNc1ccccc1)c1ccccc1OCc1cccc2ccccc21 ZINC000058822691 263415394 /nfs/dbraw/zinc/41/53/94/263415394.db2.gz HOXPBPRSGRLNBM-KOEQRZSOSA-N 0 0 352.437 5.865 40 30 FKEBRN Clc1ccccc1Cn1cc(C=NNc2ccccc2)c2ccccc21 ZINC000058822755 206520423 /nfs/dbraw/zinc/52/04/23/206520423.db2.gz IEXPWJQLBOUSKL-ZVHZXABRSA-N 0 0 359.860 5.789 40 30 FKEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1Cl ZINC000058822832 571086643 /nfs/dbraw/zinc/08/66/43/571086643.db2.gz JUOLGOMGJIYPHB-OEAKJJBVSA-N 0 0 366.848 5.374 40 30 FKEBRN Clc1ccc(COc2ccc(C=NNc3ccccc3)cc2)c(Cl)c1 ZINC000058822851 221122897 /nfs/dbraw/zinc/12/28/97/221122897.db2.gz SNEFLKMCVZRCPG-YDZHTSKRSA-N 0 0 371.267 6.018 40 30 FKEBRN Clc1ccc(COc2cccc(C=NNc3ccccc3)c2)c(Cl)c1 ZINC000058822853 209864901 /nfs/dbraw/zinc/86/49/01/209864901.db2.gz VYJRMESNGJQALO-YDZHTSKRSA-N 0 0 371.267 6.018 40 30 FKEBRN Clc1ccc(COc2ccccc2C=NNc2ccccc2)c(Cl)c1 ZINC000058822855 571086407 /nfs/dbraw/zinc/08/64/07/571086407.db2.gz BZIJEVWHIYRQDO-YDZHTSKRSA-N 0 0 371.267 6.018 40 30 FKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)o1 ZINC000058826239 571086396 /nfs/dbraw/zinc/08/63/96/571086396.db2.gz USDIEKSDNACNQS-XKZIYDEJSA-N 0 0 370.518 5.341 40 30 FKEBRN CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000059059124 212015419 /nfs/dbraw/zinc/01/54/19/212015419.db2.gz WWTTXMMZHOBTAM-OAQYLSRUSA-N 0 0 372.590 5.534 40 30 FKEBRN CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000059059126 212015931 /nfs/dbraw/zinc/01/59/31/212015931.db2.gz WWTTXMMZHOBTAM-NRFANRHFSA-N 0 0 372.590 5.534 40 30 FKEBRN CCCCCCCCCCCCc1ccc(I)cc1 ZINC000059077579 520015474 /nfs/dbraw/zinc/01/54/74/520015474.db2.gz YGIPEPBPLKBCLA-UHFFFAOYSA-N 0 0 372.334 6.755 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2C(C)C)c1C ZINC000059104073 571087070 /nfs/dbraw/zinc/08/70/70/571087070.db2.gz AQAJIURHZUTKEP-WGOQTCKBSA-N 0 0 358.529 6.839 40 30 FKEBRN Cc1c(Br)c(/C=N/Cc2ccccc2)c(C)n1-c1ccccc1 ZINC000059104128 571087097 /nfs/dbraw/zinc/08/70/97/571087097.db2.gz DRMYFSOFQQYOFU-HYARGMPZSA-N 0 0 367.290 5.476 40 30 FKEBRN Cc1c(Br)c(/C=N/c2ccc(O)cc2)c(C)n1-c1ccccc1 ZINC000059104620 571087057 /nfs/dbraw/zinc/08/70/57/571087057.db2.gz MSEQIRKLZXRNFK-CIAFOILYSA-N 0 0 369.262 5.313 40 30 FKEBRN Cc1c(Br)c(/C=N/c2cccnc2)c(C)n1-c1ccccc1 ZINC000059104671 571086946 /nfs/dbraw/zinc/08/69/46/571086946.db2.gz MCGBWKBHBRVOBU-CIAFOILYSA-N 0 0 354.251 5.002 40 30 FKEBRN Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCC2)c(C)c1 ZINC000059104893 571086906 /nfs/dbraw/zinc/08/69/06/571086906.db2.gz CFYQFOSQKYJUSZ-FYJGNVAPSA-N 0 0 357.295 5.417 40 30 FKEBRN CC(C)c1ccccc1/N=C/c1cc(Br)c(Br)o1 ZINC000059104904 263416781 /nfs/dbraw/zinc/41/67/81/263416781.db2.gz MDXYZXTVVZCXLD-CAOOACKPSA-N 0 0 371.072 5.679 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(N3CCCC3)c(C)c2)c(Br)c1 ZINC000059105085 571086885 /nfs/dbraw/zinc/08/68/85/571086885.db2.gz PAVFOZBYOXZEED-FYJGNVAPSA-N 0 0 357.295 5.417 40 30 FKEBRN CCc1ccccc1/N=C/c1cc(Br)c(Br)o1 ZINC000059105159 263416575 /nfs/dbraw/zinc/41/65/75/263416575.db2.gz XNTRIKKDKOMBBY-LZYBPNLTSA-N 0 0 357.045 5.118 40 30 FKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000059105699 571087414 /nfs/dbraw/zinc/08/74/14/571087414.db2.gz XNBLNUJGPPOCSF-RIYZIHGNSA-N 0 0 367.232 5.024 40 30 FKEBRN CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000059109327 571089252 /nfs/dbraw/zinc/08/92/52/571089252.db2.gz DRAHSFSCJCPWGK-RGVLZGJSSA-N 0 0 362.267 5.224 40 30 FKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccc(N2CCCC2)o1 ZINC000059138159 263416740 /nfs/dbraw/zinc/41/67/40/263416740.db2.gz SRWZQOGYUZHMJA-YZSQISJMSA-N 0 0 374.528 6.098 40 30 FKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)o3)cc2)cc1 ZINC000059138166 571087610 /nfs/dbraw/zinc/08/76/10/571087610.db2.gz SHVRIGXLJACPBK-XQNSMLJCSA-N 0 0 362.429 5.431 40 30 FKEBRN Clc1cc(/N=C/c2ccc(N3CCCC3)o2)ccc1Br ZINC000059138701 571087477 /nfs/dbraw/zinc/08/74/77/571087477.db2.gz HTPMUBWQMLNDJC-VCHYOVAHSA-N 0 0 353.647 5.046 40 30 FKEBRN CCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)c(OCC)c1 ZINC000059193649 571087990 /nfs/dbraw/zinc/08/79/90/571087990.db2.gz GHCODKLQZFVKQI-FYJGNVAPSA-N 0 0 367.474 5.054 40 30 FKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000059193757 571088096 /nfs/dbraw/zinc/08/80/96/571088096.db2.gz JGVFXPYQJDHRJS-AWQFTUOYSA-N 0 0 362.285 5.871 40 30 FKEBRN Cc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000059193793 571087959 /nfs/dbraw/zinc/08/79/59/571087959.db2.gz CWMKPELWUWGQKO-KEBDBYFISA-N 0 0 362.285 5.871 40 30 FKEBRN Cc1sc(N=NCc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000059193795 571088034 /nfs/dbraw/zinc/08/80/34/571088034.db2.gz IFDPJJQHAZXLKG-KEBDBYFISA-N 0 0 362.285 5.293 40 30 FKEBRN CCCCOc1ccccc1CN=Nc1nc(-c2ccccc2)c(C)s1 ZINC000059193817 571088201 /nfs/dbraw/zinc/08/82/01/571088201.db2.gz XYZKHBZKKWUWNB-PXLXIMEGSA-N 0 0 365.502 5.165 40 30 FKEBRN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000059193819 571088076 /nfs/dbraw/zinc/08/80/76/571088076.db2.gz AHXIEFSAHMNRBG-PXLXIMEGSA-N 0 0 365.502 5.165 40 30 FKEBRN Cc1sc(N=NCc2ccccc2C(F)(F)F)nc1-c1ccccc1 ZINC000059193907 571087934 /nfs/dbraw/zinc/08/79/34/571087934.db2.gz AWWWXUKKFHPSNT-SSDVNMTOSA-N 0 0 361.392 5.005 40 30 FKEBRN Cc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000059194496 571088191 /nfs/dbraw/zinc/08/81/91/571088191.db2.gz DPVUOTFOBBHHCG-OEAKJJBVSA-N 0 0 373.481 5.630 40 30 FKEBRN Cc1ccccc1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059194509 571088114 /nfs/dbraw/zinc/08/81/14/571088114.db2.gz UCPTVHRHPVOTMQ-OEAKJJBVSA-N 0 0 373.481 5.630 40 30 FKEBRN Cc1cccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)c1 ZINC000059194511 571088166 /nfs/dbraw/zinc/08/81/66/571088166.db2.gz DZJGDQQYGXBNQV-OEAKJJBVSA-N 0 0 373.481 5.630 40 30 FKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccncc1)CCCC2 ZINC000059199001 571306488 /nfs/dbraw/zinc/30/64/88/571306488.db2.gz ICWHMGVMQKFMDK-OEAKJJBVSA-N 0 0 361.470 5.025 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000059224220 571088132 /nfs/dbraw/zinc/08/81/32/571088132.db2.gz VYEPJVZGDKQKCZ-NVNXTCNLSA-N 0 0 363.269 5.193 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2Cl)S1 ZINC000059224233 571088206 /nfs/dbraw/zinc/08/82/06/571088206.db2.gz JVARGNRQFOZQJL-NVNXTCNLSA-N 0 0 363.269 5.193 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000059224242 571088058 /nfs/dbraw/zinc/08/80/58/571088058.db2.gz KSVGMRNEQYOMFD-IUXPMGMMSA-N 0 0 367.861 5.021 40 30 FKEBRN CCCCCCCCOc1c(Br)cc(CO)cc1OCC ZINC000059245847 571088547 /nfs/dbraw/zinc/08/85/47/571088547.db2.gz DUIOTDJGKIATNC-UHFFFAOYSA-N 0 0 359.304 5.079 40 30 FKEBRN Clc1cc(/N=C/c2cccn2-c2ccccc2)ccc1Br ZINC000059247826 571088577 /nfs/dbraw/zinc/08/85/77/571088577.db2.gz TTZFFEBTNARZPK-UDWIEESQSA-N 0 0 359.654 5.644 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000059247904 571088561 /nfs/dbraw/zinc/08/85/61/571088561.db2.gz QDQWAIOSPXOGCR-XIEYBQDHSA-N 0 0 371.871 6.303 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OCC)c1O ZINC000059248004 571088494 /nfs/dbraw/zinc/08/84/94/571088494.db2.gz JVJLJOHGLCVRFY-KOEQRZSOSA-N 0 0 372.468 6.014 40 30 FKEBRN COC(=O)c1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1Cl ZINC000059248233 263417828 /nfs/dbraw/zinc/41/78/28/263417828.db2.gz DCSNOTHWKISHCB-WSDLNYQXSA-N 0 0 373.239 5.321 40 30 FKEBRN Cc1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1Br ZINC000059248512 571088526 /nfs/dbraw/zinc/08/85/26/571088526.db2.gz UPUNLHKBFJYZMA-CIAFOILYSA-N 0 0 373.681 5.952 40 30 FKEBRN Clc1cccc(/N=C/c2cc(Br)c(N3CCCC3)o2)c1 ZINC000059248692 263417959 /nfs/dbraw/zinc/41/79/59/263417959.db2.gz WFGLZRNEXPRBTG-VCHYOVAHSA-N 0 0 353.647 5.046 40 30 FKEBRN O=[N+]([O-])c1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1Cl ZINC000059248834 571088563 /nfs/dbraw/zinc/08/85/63/571088563.db2.gz GDTKXRGTODDEMJ-RGVLZGJSSA-N 0 0 360.200 5.443 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059248937 571088559 /nfs/dbraw/zinc/08/85/59/571088559.db2.gz BSPYIOVPQQYLKL-XQNSMLJCSA-N 0 0 351.881 5.728 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(Br)cc2)cc(OCC)c1O ZINC000059249187 571088536 /nfs/dbraw/zinc/08/85/36/571088536.db2.gz UBXJZGBFSRKUIP-UDWIEESQSA-N 0 0 360.251 5.033 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl ZINC000059249300 571088572 /nfs/dbraw/zinc/08/85/72/571088572.db2.gz GZEUKXOYHUATPU-VXLYETTFSA-N 0 0 367.674 5.355 40 30 FKEBRN CC(C)c1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 ZINC000059249340 571088530 /nfs/dbraw/zinc/08/85/30/571088530.db2.gz VNMMUYJJJKIJGP-UDWIEESQSA-N 0 0 361.283 5.516 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(Br)c(C)c2)cc(OCC)c1O ZINC000059249344 571088541 /nfs/dbraw/zinc/08/85/41/571088541.db2.gz PYIFHWCVIFCXLR-CIAFOILYSA-N 0 0 374.278 5.341 40 30 FKEBRN Brc1cc(/C=N/c2cccc3ccccc32)oc1N1CCCC1 ZINC000059249612 263417864 /nfs/dbraw/zinc/41/78/64/263417864.db2.gz OAGPOJKYZMBXMR-FYJGNVAPSA-N 0 0 369.262 5.546 40 30 FKEBRN Cc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1F ZINC000059249963 571088948 /nfs/dbraw/zinc/08/89/48/571088948.db2.gz SESFXJZROCQHAL-CIAFOILYSA-N 0 0 357.226 5.438 40 30 FKEBRN CC(C)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059250124 571088934 /nfs/dbraw/zinc/08/89/34/571088934.db2.gz LFGGQNKCDIBCQF-HYARGMPZSA-N 0 0 367.290 6.114 40 30 FKEBRN CSc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000059250162 571088923 /nfs/dbraw/zinc/08/89/23/571088923.db2.gz YWJCMNKHQDCMDS-DEDYPNTBSA-N 0 0 371.303 5.712 40 30 FKEBRN Fc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1Cl ZINC000059302145 571090109 /nfs/dbraw/zinc/09/01/09/571090109.db2.gz SJDZFNOLJZARLR-DJKKODMXSA-N 0 0 371.637 5.185 40 30 FKEBRN COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccccc3)cc2)cc1 ZINC000059302670 571090067 /nfs/dbraw/zinc/09/00/67/571090067.db2.gz SVXTUCZSIOIIFW-XIEYBQDHSA-N 0 0 368.436 6.029 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc(C3CCCCC3)cc2)cc1 ZINC000059302882 571089956 /nfs/dbraw/zinc/08/99/56/571089956.db2.gz IORAISFPEOCJFF-KOEQRZSOSA-N 0 0 362.904 6.929 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(N(CC)CC)cc2)cc(OCC)c1O ZINC000059303417 571089962 /nfs/dbraw/zinc/08/99/62/571089962.db2.gz AAVGFQXDXSVPIH-XQNSMLJCSA-N 0 0 352.478 5.116 40 30 FKEBRN CCCCCC/C=C\CCCCCCCCCc1cccc(OC)c1O ZINC000059364631 519946706 /nfs/dbraw/zinc/94/67/06/519946706.db2.gz IBEUJKXFTKVAMQ-HJWRWDBZSA-N 0 0 360.582 7.591 40 30 FKEBRN CCCCCC/C=C/CCCCCCCCCc1cccc(OC)c1O ZINC000059364632 519944241 /nfs/dbraw/zinc/94/42/41/519944241.db2.gz IBEUJKXFTKVAMQ-CMDGGOBGSA-N 0 0 360.582 7.591 40 30 FKEBRN Cc1ccc(-c2cc(/N=C/c3ccccc3Cl)n(-c3ccccc3)n2)cc1 ZINC000059385258 571089965 /nfs/dbraw/zinc/08/99/65/571089965.db2.gz SHXQQPVADZSAIX-PCLIKHOPSA-N 0 0 371.871 6.252 40 30 FKEBRN CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000059387333 571090440 /nfs/dbraw/zinc/09/04/40/571090440.db2.gz NAADOXDILHUJMG-KGENOOAVSA-N 0 0 351.475 5.435 40 30 FKEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000059399029 571090396 /nfs/dbraw/zinc/09/03/96/571090396.db2.gz ZAAXFZDWJFILTB-OEAKJJBVSA-N 0 0 366.848 5.374 40 30 FKEBRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)C(F)(F)F ZINC000059417212 571090458 /nfs/dbraw/zinc/09/04/58/571090458.db2.gz NZRHNVGYGOLAMF-UHFFFAOYSA-N 0 0 367.220 5.138 40 30 FKEBRN Oc1ccc(Cc2ccccc2)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000059417904 571090406 /nfs/dbraw/zinc/09/04/06/571090406.db2.gz HAQJFQHNXNFIOX-HYARGMPZSA-N 0 0 359.454 5.039 40 30 FKEBRN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000059426398 570868997 /nfs/dbraw/zinc/86/89/97/570868997.db2.gz KQNBWGMZEUARDP-MNVZFQSXSA-N 0 0 354.862 5.130 40 30 FKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000059426882 263419685 /nfs/dbraw/zinc/41/96/85/263419685.db2.gz JULUMSXHAHUEKQ-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000059426924 571090788 /nfs/dbraw/zinc/09/07/88/571090788.db2.gz SACMBFPADRTKMB-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN Cc1cc(/C=N\c2cccc3cccnc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426955 263419750 /nfs/dbraw/zinc/41/97/50/263419750.db2.gz FGFCUVPCDUACEC-YSMPRRRNSA-N 0 0 353.469 6.010 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426965 221126637 /nfs/dbraw/zinc/12/66/37/221126637.db2.gz QHKYPMREEWPVAP-LPYMAVHISA-N 0 0 362.433 5.065 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000059427105 263419702 /nfs/dbraw/zinc/41/97/02/263419702.db2.gz VMIXQRATGWUFOI-HMAPJEAMSA-N 0 0 363.417 5.152 40 30 FKEBRN Cc1cc(/C=N\c2cccc3cccnc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000059427199 571090776 /nfs/dbraw/zinc/09/07/76/571090776.db2.gz JJIBQYZMQDXWIV-OYKKKHCWSA-N 0 0 370.412 5.301 40 30 FKEBRN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)Sc1ccccc1C(=O)O2 ZINC000059428060 571090819 /nfs/dbraw/zinc/09/08/19/571090819.db2.gz JZYJFJHLSQFGDZ-JOCHJYFZSA-N 0 0 370.429 5.298 40 30 FKEBRN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)Sc1ccccc1C(=O)O2 ZINC000059428061 263419450 /nfs/dbraw/zinc/41/94/50/263419450.db2.gz JZYJFJHLSQFGDZ-QFIPXVFZSA-N 0 0 370.429 5.298 40 30 FKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)NC1=O ZINC000059433491 221126731 /nfs/dbraw/zinc/12/67/31/221126731.db2.gz PZTCSHHBIAQAGH-ZHZULCJRSA-N 0 0 374.465 5.130 40 30 FKEBRN COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)c2ccccc12 ZINC000059433523 571090725 /nfs/dbraw/zinc/09/07/25/571090725.db2.gz ANPUCFICMKHXNY-DEDYPNTBSA-N 0 0 374.465 5.048 40 30 FKEBRN CCCOc1ccc(/C=C/C(=O)c2ccc(OCC)cc2)cc1OCC ZINC000059444494 571089097 /nfs/dbraw/zinc/08/90/97/571089097.db2.gz DHCRTKVARTXELH-NTUHNPAUSA-N 0 0 354.446 5.169 40 30 FKEBRN CCCCCCCCCCCCCCCCCCCCc1ccccc1 ZINC000059444910 519995530 /nfs/dbraw/zinc/99/55/30/519995530.db2.gz HPPLZROUJULWGU-UHFFFAOYSA-N 0 0 358.654 9.271 40 30 FKEBRN Oc1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459248 571089223 /nfs/dbraw/zinc/08/92/23/571089223.db2.gz ZXZAGCAVIMWERW-DHRITJCHSA-N 0 0 371.358 5.741 40 30 FKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(Cl)cc3)nc1-2 ZINC000059459284 571089091 /nfs/dbraw/zinc/08/90/91/571089091.db2.gz KUTSRHOTJFQHBC-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(C(C)C)cc3)nc1-2 ZINC000059459300 263419257 /nfs/dbraw/zinc/41/92/57/263419257.db2.gz AXRXIYZXVLOYRG-YDZHTSKRSA-N 0 0 362.498 5.791 40 30 FKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccccc3Cl)nc1-2 ZINC000059459301 571089064 /nfs/dbraw/zinc/08/90/64/571089064.db2.gz AYYMIAWXCKWYJB-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3cccc(Cl)c3)nc1-2 ZINC000059459302 571089232 /nfs/dbraw/zinc/08/92/32/571089232.db2.gz VKWXNEAQVYSVAO-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN CCOc1ccc(/C=N/c2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 ZINC000059459304 571089265 /nfs/dbraw/zinc/08/92/65/571089265.db2.gz LBQOUTONBHQBCQ-LPYMAVHISA-N 0 0 364.470 5.067 40 30 FKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3cccc4ccccc34)nc1-2 ZINC000059459311 571089349 /nfs/dbraw/zinc/08/93/49/571089349.db2.gz JRKBUSZJCOZZER-ZVHZXABRSA-N 0 0 370.477 5.821 40 30 FKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3c(O)ccc4ccccc43)S2)c(C)c1 ZINC000059459413 571089361 /nfs/dbraw/zinc/08/93/61/571089361.db2.gz NFYNOOIQFADKQP-NDENLUEZSA-N 0 0 374.465 5.054 40 30 FKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3c(O)ccc4ccccc43)S2)c1 ZINC000059459439 571089589 /nfs/dbraw/zinc/08/95/89/571089589.db2.gz XULFOYFQNFKAFJ-NDENLUEZSA-N 0 0 374.465 5.054 40 30 FKEBRN Cc1c(C=NNc2ccccc2)c2ccccn2c1C=NNc1ccccc1 ZINC000059459720 571089607 /nfs/dbraw/zinc/08/96/07/571089607.db2.gz CDVCEUHFWPNINS-QLJBRZBCSA-N 0 0 367.456 5.140 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccccc3)cc1)CCCC2 ZINC000059459995 571089674 /nfs/dbraw/zinc/08/96/74/571089674.db2.gz OCQDORIBSRIDHP-MFKUBSTISA-N 0 0 372.493 5.828 40 30 FKEBRN Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461321 571089678 /nfs/dbraw/zinc/08/96/78/571089678.db2.gz WPVIGIZNUAJBKB-GNSOHCBRSA-N 0 0 356.834 5.530 40 30 FKEBRN Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461322 571089631 /nfs/dbraw/zinc/08/96/31/571089631.db2.gz WPVIGIZNUAJBKB-FNPLVTCOSA-N 0 0 356.834 5.530 40 30 FKEBRN Clc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461323 263419435 /nfs/dbraw/zinc/41/94/35/263419435.db2.gz WPVIGIZNUAJBKB-WGQIQHNGSA-N 0 0 356.834 5.530 40 30 FKEBRN Clc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461324 263419260 /nfs/dbraw/zinc/41/92/60/263419260.db2.gz WPVIGIZNUAJBKB-XKOORFEASA-N 0 0 356.834 5.530 40 30 FKEBRN Cc1ccc(C(=O)O/N=C(/c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000059461422 263419340 /nfs/dbraw/zinc/41/93/40/263419340.db2.gz LJSBQPUHLMYVMD-ZNTNEXAZSA-N 0 0 355.393 5.351 40 30 FKEBRN Oc1ccc(Br)cc1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000059461514 571089611 /nfs/dbraw/zinc/08/96/11/571089611.db2.gz JCODJUGOEFXDQV-WSDLNYQXSA-N 0 0 364.242 5.477 40 30 FKEBRN Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000059462026 571089581 /nfs/dbraw/zinc/08/95/81/571089581.db2.gz HMXGCTGMZHWRFY-FOKLQQMPSA-N 0 0 368.786 5.415 40 30 FKEBRN Cc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463550 571090081 /nfs/dbraw/zinc/09/00/81/571090081.db2.gz BKWMNYHQIINNDE-LFVJCYFKSA-N 0 0 354.478 6.536 40 30 FKEBRN Clc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463552 571090061 /nfs/dbraw/zinc/09/00/61/571090061.db2.gz QKHICXWRPDNCRR-BUVRLJJBSA-N 0 0 374.896 6.881 40 30 FKEBRN Clc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463554 263419250 /nfs/dbraw/zinc/41/92/50/263419250.db2.gz TXOASNWPIFDTQQ-BUVRLJJBSA-N 0 0 374.896 6.881 40 30 FKEBRN Fc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463555 571090094 /nfs/dbraw/zinc/09/00/94/571090094.db2.gz YVCSFMJXFCFBQH-BUVRLJJBSA-N 0 0 358.441 6.367 40 30 FKEBRN Fc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463557 263420158 /nfs/dbraw/zinc/42/01/58/263420158.db2.gz ZLUUUMJLUPONFF-BUVRLJJBSA-N 0 0 358.441 6.367 40 30 FKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059463563 263420196 /nfs/dbraw/zinc/42/01/96/263420196.db2.gz PWULENVICSRWHH-LFVJCYFKSA-N 0 0 370.477 6.236 40 30 FKEBRN COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000059463564 571090118 /nfs/dbraw/zinc/09/01/18/571090118.db2.gz LMXVQSZCGSHZKS-LFVJCYFKSA-N 0 0 370.477 6.236 40 30 FKEBRN COc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463566 571090113 /nfs/dbraw/zinc/09/01/13/571090113.db2.gz OBKKNHKVGYCHHC-LFVJCYFKSA-N 0 0 370.477 6.236 40 30 FKEBRN Oc1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463575 571090051 /nfs/dbraw/zinc/09/00/51/571090051.db2.gz DMDANJWJHPGTBC-HZHRSRAPSA-N 0 0 356.450 5.933 40 30 FKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 ZINC000059463803 571089997 /nfs/dbraw/zinc/08/99/97/571089997.db2.gz FFHWFOWHXULKLV-LFVJCYFKSA-N 0 0 354.478 6.536 40 30 FKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059463804 263420092 /nfs/dbraw/zinc/42/00/92/263420092.db2.gz KQOSFWIEYUZWLD-PCLIKHOPSA-N 0 0 368.505 6.845 40 30 FKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccccc2)cc1 ZINC000059463807 263420281 /nfs/dbraw/zinc/42/02/81/263420281.db2.gz SHHUVQTVTDRZSH-MFKUBSTISA-N 0 0 372.468 6.675 40 30 FKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccccc2)cc1 ZINC000059463808 571089959 /nfs/dbraw/zinc/08/99/59/571089959.db2.gz PVLSZYBMNUQRNG-MFKUBSTISA-N 0 0 372.468 6.675 40 30 FKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccccc1 ZINC000059471631 263420640 /nfs/dbraw/zinc/42/06/40/263420640.db2.gz FBXJFKVVERRITM-ZPJNHBMASA-N 0 0 350.465 6.264 40 30 FKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccccc1 ZINC000059471633 571090048 /nfs/dbraw/zinc/09/00/48/571090048.db2.gz FBXJFKVVERRITM-IWXYZSABSA-N 0 0 350.465 6.264 40 30 FKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccccc1 ZINC000059471634 571090105 /nfs/dbraw/zinc/09/01/05/571090105.db2.gz FBXJFKVVERRITM-FBLLRUGISA-N 0 0 350.465 6.264 40 30 FKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccccc1 ZINC000059471635 571090055 /nfs/dbraw/zinc/09/00/55/571090055.db2.gz FBXJFKVVERRITM-VEGXCNEOSA-N 0 0 350.465 6.264 40 30 FKEBRN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)ccc1O ZINC000059475449 571091010 /nfs/dbraw/zinc/09/10/10/571091010.db2.gz VVUHSBRGBZUIGM-LSHDLFTRSA-N 0 0 357.759 5.604 40 30 FKEBRN FC(F)(F)C(F)(F)[C@](F)(Cl)C(Cl)(C(F)(F)F)C(F)(F)F ZINC000059478320 212017062 /nfs/dbraw/zinc/01/70/62/212017062.db2.gz HFHDZBVFOMETSD-REOHCLBHSA-N 0 0 370.948 5.191 40 30 FKEBRN FC(F)(F)C(F)(F)[C@@](F)(Cl)C(Cl)(C(F)(F)F)C(F)(F)F ZINC000059478321 212017056 /nfs/dbraw/zinc/01/70/56/212017056.db2.gz HFHDZBVFOMETSD-UWTATZPHSA-N 0 0 370.948 5.191 40 30 FKEBRN CCCCCCCCCCCCCCOS(=O)(=O)c1ccccc1 ZINC000059479210 571357340 /nfs/dbraw/zinc/35/73/40/571357340.db2.gz OQNGNXKLDCKIIH-UHFFFAOYSA-N 0 0 354.556 6.093 40 30 FKEBRN CC(=O)Nc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000059483027 221126135 /nfs/dbraw/zinc/12/61/35/221126135.db2.gz NOMVVXVNNKNHBL-KEBDBYFISA-N 0 0 355.850 5.173 40 30 FKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)ccc1O ZINC000059483030 571091090 /nfs/dbraw/zinc/09/10/90/571091090.db2.gz ACPYFMMDEBXGRS-KEBDBYFISA-N 0 0 358.850 5.318 40 30 FKEBRN CN(c1ccccc1)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000059483051 221125986 /nfs/dbraw/zinc/12/59/86/221125986.db2.gz WXDKNXOIHSMJGI-PXLXIMEGSA-N 0 0 358.470 5.510 40 30 FKEBRN Clc1ccc(-c2nn(-c3ccccc3)cc2/N=C/c2cccnc2)cc1 ZINC000059483117 571091023 /nfs/dbraw/zinc/09/10/23/571091023.db2.gz WDVPBFURSZRSEW-ZVHZXABRSA-N 0 0 358.832 5.338 40 30 FKEBRN O=[N+]([O-])c1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000059483130 206521339 /nfs/dbraw/zinc/52/13/39/206521339.db2.gz ROVBBIFOJXPZAY-HZHRSRAPSA-N 0 0 368.396 5.198 40 30 FKEBRN COc1ccccc1/C=N/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000059483132 221126038 /nfs/dbraw/zinc/12/60/38/221126038.db2.gz IVDGLSHIJFJLAH-LFVJCYFKSA-N 0 0 353.425 5.299 40 30 FKEBRN CCOc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000059483133 209863908 /nfs/dbraw/zinc/86/39/08/209863908.db2.gz RHIAGAYSQCOFLA-KOEQRZSOSA-N 0 0 367.452 5.689 40 30 FKEBRN COc1cc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1O ZINC000059483140 221126344 /nfs/dbraw/zinc/12/63/44/221126344.db2.gz WHNCOZZAMYEKPP-BUVRLJJBSA-N 0 0 369.424 5.004 40 30 FKEBRN C(=N/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1ccc2c(c1)OCO2 ZINC000059483143 221127027 /nfs/dbraw/zinc/12/70/27/221127027.db2.gz JTMWUYUIKNRECK-ZVHZXABRSA-N 0 0 367.408 5.019 40 30 FKEBRN Cc1ccc(-c2nc(N=NCc3ccccn3)sc2-c2ccccc2)cc1 ZINC000059484353 263420048 /nfs/dbraw/zinc/42/00/48/263420048.db2.gz TXQSVQZIDTUECJ-BUVRLJJBSA-N 0 0 370.481 5.627 40 30 FKEBRN Cc1ccc(-c2nc(N=NCc3cccnc3)sc2-c2ccccc2)cc1 ZINC000059484355 571091198 /nfs/dbraw/zinc/09/11/98/571091198.db2.gz FKNVQBJSSFWQSG-BUVRLJJBSA-N 0 0 370.481 5.627 40 30 FKEBRN CCOc1ccc2nc(SCc3ccc(C#N)cc3Cl)sc2c1 ZINC000059484619 571357392 /nfs/dbraw/zinc/35/73/92/571357392.db2.gz UMEWFGWRQDASNZ-UHFFFAOYSA-N 0 0 360.891 5.512 40 30 FKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1cccc(Cl)c1 ZINC000059489023 571091567 /nfs/dbraw/zinc/09/15/67/571091567.db2.gz QHCDYSYKRGTNMH-RVDMUPIBSA-N 0 0 364.670 5.691 40 30 FKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(C)c(C)c1 ZINC000059489030 263421372 /nfs/dbraw/zinc/42/13/72/263421372.db2.gz QSMFSVGSFLLLPB-SFQUDFHCSA-N 0 0 358.279 5.655 40 30 FKEBRN CCC(=CC(=O)c1ccc(OC)cc1)Nc1ccc(Br)cc1 ZINC000059489059 571091574 /nfs/dbraw/zinc/09/15/74/571091574.db2.gz XAUDWZLHDVWKCR-NTCAYCPXSA-N 0 0 360.251 5.046 40 30 FKEBRN O=[N+]([O-])c1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000059500237 571091433 /nfs/dbraw/zinc/09/14/33/571091433.db2.gz ONKXJBCIBZOSAZ-XQNSMLJCSA-N 0 0 368.396 5.198 40 30 FKEBRN Clc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500238 571091475 /nfs/dbraw/zinc/09/14/75/571091475.db2.gz HYORVQTUVNSOMB-LFVJCYFKSA-N 0 0 357.844 5.943 40 30 FKEBRN COc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500239 263421497 /nfs/dbraw/zinc/42/14/97/263421497.db2.gz OLXRTIPBVAQJNJ-JJIBRWJFSA-N 0 0 353.425 5.299 40 30 FKEBRN CC(C)c1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500241 263421537 /nfs/dbraw/zinc/42/15/37/263421537.db2.gz HZZLWFDDCUAFFV-NLRVBDNBSA-N 0 0 365.480 6.413 40 30 FKEBRN CC(=O)c1ccc(N=Cc2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000059501490 571091490 /nfs/dbraw/zinc/09/14/90/571091490.db2.gz POABVEQEQKGJKH-VULFUBBASA-N 0 0 368.480 5.777 40 30 FKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000059503509 263421323 /nfs/dbraw/zinc/42/13/23/263421323.db2.gz NBLZFZCGWOFUKI-BLOQEJBCSA-N 0 0 370.477 5.804 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000059503587 571091561 /nfs/dbraw/zinc/09/15/61/571091561.db2.gz CYCLSURQKDXOIO-YZSQISJMSA-N 0 0 369.512 5.804 40 30 FKEBRN O=C(/C=C/c1ccc(Cl)cc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000059503633 571091819 /nfs/dbraw/zinc/09/18/19/571091819.db2.gz SEMZTXPUGJQALQ-JLHYYAGUSA-N 0 0 359.856 5.756 40 30 FKEBRN COc1ccc(/C=C/C(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 ZINC000059503637 263421516 /nfs/dbraw/zinc/42/15/16/263421516.db2.gz GKTTXHNNDHKQEI-SDNWHVSQSA-N 0 0 355.437 5.112 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccccc3)c1)C2 ZINC000059503638 571091785 /nfs/dbraw/zinc/09/17/85/571091785.db2.gz WWCZVPYLZHPHQN-VAWYXSNFSA-N 0 0 353.465 5.720 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(F)cc3)c1)C2 ZINC000059503641 571091938 /nfs/dbraw/zinc/09/19/38/571091938.db2.gz WWHXRLGXMFDGTC-DHZHZOJOSA-N 0 0 371.455 5.859 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccccc3F)c1)C2 ZINC000059503642 571091849 /nfs/dbraw/zinc/09/18/49/571091849.db2.gz CIIIGPCZLHCFIF-ZHACJKMWSA-N 0 0 371.455 5.859 40 30 FKEBRN Cc1ccc(/C=C/C(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 ZINC000059503643 571091931 /nfs/dbraw/zinc/09/19/31/571091931.db2.gz IQSFHQSWUINIMA-VAWYXSNFSA-N 0 0 367.492 6.028 40 30 FKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccccc2)cc1 ZINC000059505742 571091944 /nfs/dbraw/zinc/09/19/44/571091944.db2.gz MMFKCCQSVDLJOB-BUVRLJJBSA-N 0 0 370.477 6.242 40 30 FKEBRN Cc1cc(C)c(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c(C)c1 ZINC000059514429 263421445 /nfs/dbraw/zinc/42/14/45/263421445.db2.gz UGCLOCVZHKMQIJ-YVLHZVERSA-N 0 0 356.878 5.157 40 30 FKEBRN C/C(=N/OC(=O)c1cccc2ccccc21)c1ccc2c3c(cccc31)CC2 ZINC000059520208 571091715 /nfs/dbraw/zinc/09/17/15/571091715.db2.gz JFFIBGFBODDXEB-QQXSKIMKSA-N 0 0 365.432 5.673 40 30 FKEBRN CCCCCCCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000059531208 519987535 /nfs/dbraw/zinc/98/75/35/519987535.db2.gz LVLNBGOYUFLLKW-UHFFFAOYSA-N 0 0 374.594 7.244 40 30 FKEBRN Cc1ccccc1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000059566736 571090666 /nfs/dbraw/zinc/09/06/66/571090666.db2.gz GGFYIXIGSUEMHZ-ZROIWOOFSA-N 0 0 363.269 5.193 40 30 FKEBRN CCCCCCCCOc1ccc(C=O)c(OCCCCCCCC)c1 ZINC000059608630 205281362 /nfs/dbraw/zinc/28/13/62/205281362.db2.gz NFFQLWAVPIVZLQ-UHFFFAOYSA-N 0 0 362.554 6.978 40 30 FKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1OC ZINC000059608703 520014317 /nfs/dbraw/zinc/01/43/17/520014317.db2.gz DRCZZLCXXVDOPE-UHFFFAOYSA-N 0 0 355.544 5.358 40 30 FKEBRN CCCCCCCCNC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000059608802 520035398 /nfs/dbraw/zinc/03/53/98/520035398.db2.gz IXZDKZIVEDRDTC-UHFFFAOYSA-N 0 0 352.547 5.905 40 30 FKEBRN CCCCCCCCCCCCNC(=S)Nc1cc(F)ccc1F ZINC000059608809 520009606 /nfs/dbraw/zinc/00/96/06/520009606.db2.gz KYHFVRQPJCMHPD-UHFFFAOYSA-N 0 0 356.526 6.172 40 30 FKEBRN CCCCCCCCCCCCNC(=S)Nc1c(F)cccc1F ZINC000059608814 520009547 /nfs/dbraw/zinc/00/95/47/520009547.db2.gz JMSQIVCVZXHGLU-UHFFFAOYSA-N 0 0 356.526 6.172 40 30 FKEBRN CCCCCCCCCCCCNC(=S)Nc1ccc(F)c(F)c1 ZINC000059608817 520010255 /nfs/dbraw/zinc/01/02/55/520010255.db2.gz GVJFMVAEVXONIR-UHFFFAOYSA-N 0 0 356.526 6.172 40 30 FKEBRN CCCCCCCCCCCCNC(=S)N1CCc2ccccc2C1 ZINC000059662032 520009471 /nfs/dbraw/zinc/00/94/71/520009471.db2.gz ARHUJDAGIPEOLC-UHFFFAOYSA-N 0 0 360.611 5.840 40 30 FKEBRN CCCCCCCCCCCCOC(=O)C/C=C/c1ccc(C=O)cc1 ZINC000059663708 520011156 /nfs/dbraw/zinc/01/11/56/520011156.db2.gz PKAWCFFTZJYOIM-OUKQBFOZSA-N 0 0 358.522 6.367 40 30 FKEBRN Cc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1 ZINC000059676478 571092117 /nfs/dbraw/zinc/09/21/17/571092117.db2.gz IFKHFSCQROGXSN-BUVRLJJBSA-N 0 0 374.509 5.938 40 30 FKEBRN C=CCc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OCC)c1O ZINC000059678195 263422037 /nfs/dbraw/zinc/42/20/37/263422037.db2.gz UHVQUWDSFZYYNO-XIEYBQDHSA-N 0 0 372.468 5.692 40 30 FKEBRN CCc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059678199 571092330 /nfs/dbraw/zinc/09/23/30/571092330.db2.gz IIVDAWYIUZCJEY-KGENOOAVSA-N 0 0 353.263 5.553 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000059678237 571092362 /nfs/dbraw/zinc/09/23/62/571092362.db2.gz NODPQKWDZACHPH-KOEQRZSOSA-N 0 0 371.871 6.625 40 30 FKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cccn2-c2ccc(Cl)cc2)c1 ZINC000059678368 263422046 /nfs/dbraw/zinc/42/20/46/263422046.db2.gz LYRVVPNTOJCQEH-WSDLNYQXSA-N 0 0 373.239 5.321 40 30 FKEBRN Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000059678372 571092111 /nfs/dbraw/zinc/09/21/11/571092111.db2.gz LPHHVSJFGDZJFJ-CIAFOILYSA-N 0 0 373.681 5.952 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl ZINC000059678757 263422118 /nfs/dbraw/zinc/42/21/18/263422118.db2.gz QLDSIBBVRRTIMO-WSDLNYQXSA-N 0 0 373.239 5.321 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1O ZINC000059678901 571092438 /nfs/dbraw/zinc/09/24/38/571092438.db2.gz KPVUPDPUDOWJLS-KOEQRZSOSA-N 0 0 363.501 6.318 40 30 FKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1C ZINC000059679082 571092137 /nfs/dbraw/zinc/09/21/37/571092137.db2.gz FTLGAQJRUXNDEA-FYJGNVAPSA-N 0 0 353.263 5.607 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(OCC)c1O ZINC000059679108 571092298 /nfs/dbraw/zinc/09/22/98/571092298.db2.gz YWXZKSBTTVGRFJ-KOEQRZSOSA-N 0 0 357.453 5.937 40 30 FKEBRN CCc1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000059679281 571092132 /nfs/dbraw/zinc/09/21/32/571092132.db2.gz WODPMOBYORXOSQ-KGENOOAVSA-N 0 0 353.263 5.553 40 30 FKEBRN CCCc1ccc(-c2ccc(C#Cc3c(F)cc(CC)cc3F)cc2)cc1 ZINC000059796863 210209714 /nfs/dbraw/zinc/20/97/14/210209714.db2.gz BUVFXQQCFVZRSL-UHFFFAOYSA-N 0 0 360.447 6.547 40 30 FKEBRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000059837357 205283366 /nfs/dbraw/zinc/28/33/66/205283366.db2.gz GCDJASCVPVVROI-UHFFFAOYSA-N 0 0 369.211 5.255 40 30 FKEBRN CCCCCCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000059931565 520055990 /nfs/dbraw/zinc/05/59/90/520055990.db2.gz YNDKYIDVUCXKFV-UHFFFAOYSA-N 0 0 359.897 5.619 40 30 FKEBRN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000059942138 571091965 /nfs/dbraw/zinc/09/19/65/571091965.db2.gz QBAQQBGCDITWNW-ONEGZZNKSA-N 0 0 361.055 6.109 40 30 FKEBRN N#Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000060512497 571306556 /nfs/dbraw/zinc/30/65/56/571306556.db2.gz RNYWVIUBPONPAV-UNOMPAQXSA-N 0 0 372.474 5.117 40 30 FKEBRN [S-]c1ccc(-c2cccc([S+](c3ccccc3)c3ccccc3)c2)cc1 ZINC000064220337 212037426 /nfs/dbraw/zinc/03/74/26/212037426.db2.gz VUMHPIDXSXUXBH-UHFFFAOYSA-N 0 0 371.550 6.495 40 30 FKEBRN CCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000064857617 519987859 /nfs/dbraw/zinc/98/78/59/519987859.db2.gz YLAZEWZHIRBZDA-OFNKIYASSA-N 0 0 361.570 5.926 40 30 in-vitro FKEBRN CCCCCCCCC/C=C/C=C\C=C/C=C\C=C/C=C\C(=O)OCC ZINC000064858609 205306934 /nfs/dbraw/zinc/30/69/34/205306934.db2.gz TYLNXKAVUJJPMU-PWQIQEKYSA-N 0 0 356.550 7.027 40 30 in-vitro FKEBRN CCCCCCCCCCCCCCCCOC[C@H](CO)SC(C)=O ZINC000064859116 212046504 /nfs/dbraw/zinc/04/65/04/212046504.db2.gz SJNRNWWBXZOALQ-NRFANRHFSA-N 0 0 374.631 6.125 40 30 in-vitro FKEBRN CCCCCCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064859615 205307556 /nfs/dbraw/zinc/30/75/56/205307556.db2.gz IHKDUDCDUKFOKK-UHFFFAOYSA-N 0 0 369.508 6.996 40 30 in-vitro FKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(-c2ccccc2)cc1 ZINC000065090458 203823748 /nfs/dbraw/zinc/82/37/48/203823748.db2.gz BDVMMIHPPMTFPS-UHFFFAOYSA-O 0 0 369.513 6.299 40 30 FKEBRN CCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000066351956 208697987 /nfs/dbraw/zinc/69/79/87/208697987.db2.gz NFXIGJVWPXKUBF-UHFFFAOYSA-N 0 0 355.437 5.787 40 30 FKEBRN CCCCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@H]1OC ZINC000067911403 520003766 /nfs/dbraw/zinc/00/37/66/520003766.db2.gz DJNFXUFERDZHCD-PCCBWWKXSA-N 0 0 354.575 6.434 40 30 biogenic,in-vitro FKEBRN CCCCCCCCCCCCCCCC[C@@H]1C(=O)O[C@@H](C)[C@@H]1OC ZINC000067911407 520003440 /nfs/dbraw/zinc/00/34/40/520003440.db2.gz DJNFXUFERDZHCD-ACRUOGEOSA-N 0 0 354.575 6.434 40 30 biogenic,in-vitro FKEBRN C/C(=N\c1ccc(Nc2ccccc2)cc1)c1cc2ccccc2oc1=O ZINC000068601466 221316865 /nfs/dbraw/zinc/31/68/65/221316865.db2.gz OYGDLRZLXPIIAM-LFVJCYFKSA-N 0 0 354.409 5.677 40 30 FKEBRN CCCCCCCCCCCCCCCCCCCCCC(=O)OCC ZINC000070451016 205421300 /nfs/dbraw/zinc/42/13/00/205421300.db2.gz JIZCYLOUIAIZHQ-UHFFFAOYSA-N 0 0 368.646 8.371 40 30 biogenic,in-vitro FKEBRN C#CCOc1ccc2ccccc2c1C1Nc2cccc3cccc(c32)N1 ZINC000070453946 571323179 /nfs/dbraw/zinc/32/31/79/571323179.db2.gz OZYFOVTWTUTCNK-UHFFFAOYSA-N 0 0 350.421 5.541 40 30 FKEBRN O=C(c1cn(CCC[C@@H]2CO2)c2ccccc12)c1cccc2ccccc21 ZINC000071746315 221357938 /nfs/dbraw/zinc/35/79/38/221357938.db2.gz WWVMNUMWFUXVSG-GOSISDBHSA-N 0 0 355.437 5.205 40 30 in-vitro FKEBRN O=C(c1cn(CCC[C@H]2CO2)c2ccccc12)c1cccc2ccccc21 ZINC000071746316 208771621 /nfs/dbraw/zinc/77/16/21/208771621.db2.gz WWVMNUMWFUXVSG-SFHVURJKSA-N 0 0 355.437 5.205 40 30 in-vitro FKEBRN O=C(/C=C/c1ccc(Br)cc1)c1cc(Cl)ccc1Cl ZINC000071976972 221392288 /nfs/dbraw/zinc/39/22/88/221392288.db2.gz DYLKVHMFMWXLNT-FPYGCLRLSA-N 0 0 356.046 5.652 40 30 FKEBRN O=C(/C=C/c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000071977089 571167841 /nfs/dbraw/zinc/16/78/41/571167841.db2.gz DHUNPZIADSECGI-FPYGCLRLSA-N 0 0 356.046 5.652 40 30 FKEBRN O=C(/C=C/c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000071977092 571167872 /nfs/dbraw/zinc/16/78/72/571167872.db2.gz HTKMHRKLRHPAHF-QPJJXVBHSA-N 0 0 356.046 5.652 40 30 FKEBRN COc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000071977165 571167805 /nfs/dbraw/zinc/16/78/05/571167805.db2.gz CSFOHFJQKPEONX-FYWRMAATSA-N 0 0 374.436 5.276 40 30 FKEBRN CCCCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC ZINC000072171064 221446279 /nfs/dbraw/zinc/44/62/79/221446279.db2.gz GESHRHVYCSRGQP-UHFFFAOYSA-N 0 0 356.547 5.820 40 30 FKEBRN C=C(C/C=C(\C)CCC=C(C)C)CCC(C)(C)/C=C/CC/C(C)=C\CO ZINC000072191380 571199370 /nfs/dbraw/zinc/19/93/70/571199370.db2.gz OIQGIUGCYRSAKT-RSYGDTPCSA-N 0 0 358.610 7.707 40 30 FKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccccc3)c(C)c2s1 ZINC000072228576 221451699 /nfs/dbraw/zinc/45/16/99/221451699.db2.gz OIVZGISTLFSJHT-QRVIBDJDSA-N 0 0 366.490 5.363 40 30 FKEBRN Cc1ccccc1C(=O)Nc1c(C)cc2nc(N=NC(C)C)sc2c1C ZINC000072228578 571177936 /nfs/dbraw/zinc/17/79/36/571177936.db2.gz WPQQXEIMRMXVJZ-UHFFFAOYSA-N 0 0 366.490 5.282 40 30 FKEBRN Cc1cccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)c1 ZINC000072228579 205501139 /nfs/dbraw/zinc/50/11/39/205501139.db2.gz FHLWQWITXRMHLM-UHFFFAOYSA-N 0 0 366.490 5.282 40 30 FKEBRN Cc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)cc1 ZINC000072228582 571177932 /nfs/dbraw/zinc/17/79/32/571177932.db2.gz LUVPVYTYFKPCRI-UHFFFAOYSA-N 0 0 366.490 5.282 40 30 FKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccccc1F ZINC000072228593 571177987 /nfs/dbraw/zinc/17/79/87/571177987.db2.gz RLFLRZOUXYVHQS-UHFFFAOYSA-N 0 0 370.453 5.112 40 30 FKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(F)cc1 ZINC000072228607 571178025 /nfs/dbraw/zinc/17/80/25/571178025.db2.gz WPFFPOZZJLOGJP-UHFFFAOYSA-N 0 0 370.453 5.112 40 30 FKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1cccc(F)c1 ZINC000072228612 221452723 /nfs/dbraw/zinc/45/27/23/221452723.db2.gz HWUHPISZINHDPW-UHFFFAOYSA-N 0 0 370.453 5.112 40 30 FKEBRN CCC(C)N=Nc1nc2cc3sc(N=NC(C)CC)nc3cc2s1 ZINC000072228981 571178260 /nfs/dbraw/zinc/17/82/60/571178260.db2.gz FITWDPPQUNGELQ-KFSYKRRRSA-N 0 0 360.512 5.302 40 30 FKEBRN CC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)C(C)C)cc2Cl ZINC000072228994 571178221 /nfs/dbraw/zinc/17/82/21/571178221.db2.gz LUCQAPCFJNNWTQ-UHFFFAOYSA-N 0 0 359.282 5.005 40 30 FKEBRN CCCC(=O)Nc1cc(Cl)c2nc(N=NC(C)C)sc2c1Cl ZINC000072228995 571178247 /nfs/dbraw/zinc/17/82/47/571178247.db2.gz WNTZJHTYIXJKKX-UHFFFAOYSA-N 0 0 359.282 5.149 40 30 FKEBRN CCC(=O)Nc1cc(Cl)c2nc(N=NC(C)CC)sc2c1Cl ZINC000072228999 571178253 /nfs/dbraw/zinc/17/82/53/571178253.db2.gz ZCKOQAIXYLMTKH-GXHLCREISA-N 0 0 359.282 5.149 40 30 FKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)C(C)C)cc2Cl ZINC000072229000 571178167 /nfs/dbraw/zinc/17/81/67/571178167.db2.gz LKLLZBUDYISZFU-ZBKNUEDVSA-N 0 0 373.309 5.395 40 30 FKEBRN CCCC(=O)Nc1cc(Cl)c2nc(N=NC(C)CC)sc2c1Cl ZINC000072229001 571178251 /nfs/dbraw/zinc/17/82/51/571178251.db2.gz IZMGRVDQBWYBLF-ZBKNUEDVSA-N 0 0 373.309 5.540 40 30 FKEBRN CC(C)N=Nc1nc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 ZINC000072229663 571178168 /nfs/dbraw/zinc/17/81/68/571178168.db2.gz BBFMQIZAPQKRLU-UHFFFAOYSA-N 0 0 364.430 5.103 40 30 FKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1 ZINC000072229691 221452219 /nfs/dbraw/zinc/45/22/19/221452219.db2.gz LIRCMZOMSQYJEH-UHFFFAOYSA-N 0 0 364.430 5.103 40 30 FKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3ccccc3C)ccc2s1 ZINC000072229716 571178202 /nfs/dbraw/zinc/17/82/02/571178202.db2.gz YKEINRRTQOTORO-XKZIYDEJSA-N 0 0 352.463 5.055 40 30 FKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3cccc(C)c3)cc2s1 ZINC000072229731 208826364 /nfs/dbraw/zinc/82/63/64/208826364.db2.gz PXULSDVGBJTQFX-XKZIYDEJSA-N 0 0 352.463 5.055 40 30 FKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000072229738 571178162 /nfs/dbraw/zinc/17/81/62/571178162.db2.gz WYCTXVAYKREAOX-UHFFFAOYSA-N 0 0 358.854 5.010 40 30 FKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000072229739 571178411 /nfs/dbraw/zinc/17/84/11/571178411.db2.gz LERSATBJKFTGDQ-JJFYIABZSA-N 0 0 372.881 5.400 40 30 FKEBRN CCC(C)N=Nc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 ZINC000072229740 571178456 /nfs/dbraw/zinc/17/84/56/571178456.db2.gz UXVOOBQDMBSQJA-JJFYIABZSA-N 0 0 372.881 5.400 40 30 FKEBRN CC(C)N=Nc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 ZINC000072229741 571178384 /nfs/dbraw/zinc/17/83/84/571178384.db2.gz CMNLBJRSYRZMNY-UHFFFAOYSA-N 0 0 358.854 5.010 40 30 FKEBRN CC(C)N=Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000072229792 221451891 /nfs/dbraw/zinc/45/18/91/221451891.db2.gz RKDOVRWFDLYGIY-UHFFFAOYSA-N 0 0 358.854 5.010 40 30 FKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 ZINC000072229793 571178373 /nfs/dbraw/zinc/17/83/73/571178373.db2.gz KRGZZUQUNJTAKY-JJFYIABZSA-N 0 0 372.881 5.400 40 30 FKEBRN CCC(C)N=Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 ZINC000072229794 571178404 /nfs/dbraw/zinc/17/84/04/571178404.db2.gz VXNBBORYKIOTDZ-JJFYIABZSA-N 0 0 372.881 5.400 40 30 FKEBRN CC(C)N=Nc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 ZINC000072229795 571178390 /nfs/dbraw/zinc/17/83/90/571178390.db2.gz MJDFAQOTBDVXEE-UHFFFAOYSA-N 0 0 358.854 5.010 40 30 FKEBRN CCCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O ZINC000073371136 519989700 /nfs/dbraw/zinc/98/97/00/519989700.db2.gz MDYDMMGYPKQVFN-UHFFFAOYSA-N 0 0 362.554 6.466 40 30 FKEBRN CCCCCCCCCC(=O)Oc1c[nH]c2ccc(Br)cc12 ZINC000076945106 519979512 /nfs/dbraw/zinc/97/95/12/519979512.db2.gz MSQDUIOYSURQKS-UHFFFAOYSA-N 0 0 366.299 5.977 40 30 in-vitro FKEBRN Cc1cc(C[C@@H](C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 ZINC000077291193 524819010 /nfs/dbraw/zinc/81/90/10/524819010.db2.gz ZVTJBNITRSOQLT-NRFANRHFSA-N 0 0 369.512 5.756 40 30 in-vitro FKEBRN Cc1cc(C[C@H](C#N)c2cc(C)cc(C(C)(C)C#N)c2)cc(C(C)(C)C#N)c1 ZINC000077291194 524828989 /nfs/dbraw/zinc/82/89/89/524828989.db2.gz ZVTJBNITRSOQLT-OAQYLSRUSA-N 0 0 369.512 5.756 40 30 in-vitro FKEBRN CCCCCCCCCCC[C@@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC ZINC000077293332 520017538 /nfs/dbraw/zinc/01/75/38/520017538.db2.gz RSOUWOFYULUWNE-HKBOAZHASA-N 0 0 354.575 6.170 40 30 in-vitro FKEBRN CCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1 ZINC000078035294 520005724 /nfs/dbraw/zinc/00/57/24/520005724.db2.gz RZSHZORYUXZOST-UHFFFAOYSA-N 0 0 367.961 6.780 40 30 FKEBRN CCCCCCCCCCCCCCCCCCc1cc(C)ccc1C ZINC000078506484 519996038 /nfs/dbraw/zinc/99/60/38/519996038.db2.gz AHLSQOVUIXALIJ-UHFFFAOYSA-N 0 0 358.654 9.107 40 30 FKEBRN C=CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000078532154 571201046 /nfs/dbraw/zinc/20/10/46/571201046.db2.gz CIOXATBSRMENGI-UHFFFAOYSA-N 0 0 355.743 5.176 40 30 FKEBRN C=CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000079930528 571218245 /nfs/dbraw/zinc/21/82/45/571218245.db2.gz DSASLUGILQLHMS-UHFFFAOYSA-N 0 0 360.113 5.301 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCC ZINC000079930598 571218357 /nfs/dbraw/zinc/21/83/57/571218357.db2.gz FIENEGBWDWHXGG-YPKPFQOOSA-N 0 0 366.630 8.147 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCC ZINC000079930599 571218354 /nfs/dbraw/zinc/21/83/54/571218354.db2.gz FIENEGBWDWHXGG-BUHFOSPRSA-N 0 0 366.630 8.147 40 30 FKEBRN CCCCCCCCCCc1ccc(CCCCCCCCCC)cc1 ZINC000081165788 571226660 /nfs/dbraw/zinc/22/66/60/571226660.db2.gz LVYZEGXWMAKHQM-UHFFFAOYSA-N 0 0 358.654 9.053 40 30 FKEBRN Cc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000081217796 571226739 /nfs/dbraw/zinc/22/67/39/571226739.db2.gz UCXQGUYBNINUSG-FOCLMDBBSA-N 0 0 365.432 5.400 40 30 FKEBRN CCCCCCCC(CCCCCCC)(C(=O)OCC)C(=O)OCC ZINC000082074720 571227685 /nfs/dbraw/zinc/22/76/85/571227685.db2.gz LBAXCHLFULIZPN-UHFFFAOYSA-N 0 0 356.547 5.820 40 30 FKEBRN CCCCCCCCCCSCCSCCCCCCCCCC ZINC000082126402 205645757 /nfs/dbraw/zinc/64/57/57/205645757.db2.gz NJNNTWRBFGHMTD-UHFFFAOYSA-N 0 0 374.744 8.734 40 30 FKEBRN C(=NNc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000083252756 263426698 /nfs/dbraw/zinc/42/66/98/263426698.db2.gz MTWYGVHXBCWMHE-ULJHMMPZSA-N 0 0 355.441 5.166 40 30 FKEBRN CCOc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000083299546 571100904 /nfs/dbraw/zinc/10/09/04/571100904.db2.gz XPJWEGNTIOKIAZ-LPYMAVHISA-N 0 0 371.893 5.698 40 30 FKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)o1 ZINC000083326103 571100798 /nfs/dbraw/zinc/10/07/98/571100798.db2.gz WXMUKUJNLSQIDJ-IECUCWQJSA-N 0 0 366.486 5.525 40 30 FKEBRN C=CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)SC1=S ZINC000083326857 518834207 /nfs/dbraw/zinc/83/42/07/518834207.db2.gz XQDGQYJHAFZSOU-RVDMUPIBSA-N 0 0 373.524 5.126 40 30 FKEBRN CCCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000083328648 571100894 /nfs/dbraw/zinc/10/08/94/571100894.db2.gz MDWNSKOYMKSOAH-QNGOZBTKSA-N 0 0 353.491 5.701 40 30 FKEBRN CCCCCCCCCCCCCCCCCCSC[C@H](O)CO ZINC000085478348 571233708 /nfs/dbraw/zinc/23/37/08/571233708.db2.gz WHCHVADSXPASOY-OAQYLSRUSA-N 0 0 360.648 6.334 40 30 FKEBRN CCCCCCCCCCCCCCCCCCSC[C@@H](O)CO ZINC000085478351 571233711 /nfs/dbraw/zinc/23/37/11/571233711.db2.gz WHCHVADSXPASOY-NRFANRHFSA-N 0 0 360.648 6.334 40 30 FKEBRN CCCC/C=C/CCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O ZINC000085610544 519887072 /nfs/dbraw/zinc/88/70/72/519887072.db2.gz WVHQJXPRVZBEFP-VOTSOKGWSA-N 0 0 362.510 5.738 40 30 FKEBRN C=COC(=O)CCCCCCCCCCCCCCCCCCCCC ZINC000085649542 571233580 /nfs/dbraw/zinc/23/35/80/571233580.db2.gz RLPIKSHMNSAWRK-UHFFFAOYSA-N 0 0 366.630 8.495 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OC ZINC000085659318 210237232 /nfs/dbraw/zinc/23/72/32/210237232.db2.gz ZYNDJIBBPLNPOW-ZHACJKMWSA-N 0 0 352.603 7.757 40 30 FKEBRN CCCCCC/C=C/CCCCCCCCCC1=CC(=O)C=C(OC)C1=O ZINC000085832239 519943805 /nfs/dbraw/zinc/94/38/05/519943805.db2.gz YYCCUFKHCNSRIA-CMDGGOBGSA-N 0 0 374.565 6.632 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1CCCO1 ZINC000085923733 519968487 /nfs/dbraw/zinc/96/84/87/519968487.db2.gz GIPDEPRRXIBGNF-CZQLGGELSA-N 0 0 366.586 6.746 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1CCCO1 ZINC000085923736 519968629 /nfs/dbraw/zinc/96/86/29/519968629.db2.gz GIPDEPRRXIBGNF-DGSRBQDKSA-N 0 0 366.586 6.746 40 30 FKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCOCCO ZINC000086030953 571234263 /nfs/dbraw/zinc/23/42/63/571234263.db2.gz PWVUXRBUUYZMKM-UHFFFAOYSA-N 0 0 372.590 5.800 40 30 FKEBRN C(#Cc1c2ccccc2c2ccccc2c1-c1ccccc1)c1ccccc1 ZINC000090751302 210071569 /nfs/dbraw/zinc/07/15/69/210071569.db2.gz IVHHXNWKZTVOLG-UHFFFAOYSA-N 0 0 354.452 7.060 40 30 FKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)C(C(C)=O)=CC[C@@H]4[C@@H]3CC[C@@H]2C1 ZINC000090760273 570871396 /nfs/dbraw/zinc/87/13/96/570871396.db2.gz GBSGMSKNTLPLQF-HRKUSUEGSA-N 0 0 356.506 5.006 40 30 FKEBRN Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c2cccnc12 ZINC000092117035 570448038 /nfs/dbraw/zinc/44/80/38/570448038.db2.gz HFPZHIOMOQVMTB-AWQFTUOYSA-N 0 0 361.626 5.107 40 30 FKEBRN Cc1nn(Cc2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc21 ZINC000095483044 570643203 /nfs/dbraw/zinc/64/32/03/570643203.db2.gz WDWKFYQWSLFREM-ZVHZXABRSA-N 0 0 355.441 5.158 40 30 FKEBRN Clc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000095498613 132211922 /nfs/dbraw/zinc/21/19/22/132211922.db2.gz IIOVXUQMCPZOPX-HZHRSRAPSA-N 0 0 366.848 5.187 40 30 FKEBRN CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000095585048 571206839 /nfs/dbraw/zinc/20/68/39/571206839.db2.gz RJSLGEHCGWLDGI-UHFFFAOYSA-N 0 0 358.551 6.670 40 30 FKEBRN FC(F)(F)c1cc(C(F)(F)F)c(Br)c(C(F)(F)F)c1 ZINC000095676800 570471000 /nfs/dbraw/zinc/47/10/00/570471000.db2.gz VCOPASKQGGTLRF-UHFFFAOYSA-N 0 0 361.001 5.506 40 30 FKEBRN CCCC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095677020 209085185 /nfs/dbraw/zinc/08/51/85/209085185.db2.gz VTQJUMDFJZMYAO-XPPMVYLVSA-N 0 0 368.186 5.768 40 30 FKEBRN CCCC/C=C/[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095677022 570470868 /nfs/dbraw/zinc/47/08/68/570470868.db2.gz VTQJUMDFJZMYAO-WEWAHIQMSA-N 0 0 368.186 5.768 40 30 FKEBRN C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681707 571209708 /nfs/dbraw/zinc/20/97/08/571209708.db2.gz ZYHWHNDIVSRFMS-NSCUHMNNSA-N 0 0 360.113 5.301 40 30 FKEBRN C=C/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681887 570470929 /nfs/dbraw/zinc/47/09/29/570470929.db2.gz HALRAMNRSBXAOM-ONEGZZNKSA-N 0 0 372.124 5.467 40 30 FKEBRN CC(C)(C)c1ccc(NN=C(Cl)C(=O)Nc2ccccc2Cl)cc1 ZINC000095696949 570470997 /nfs/dbraw/zinc/47/09/97/570470997.db2.gz PMOPVHWINORZNU-XQNSMLJCSA-N 0 0 364.276 5.240 40 30 FKEBRN CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC ZINC000095703909 205794621 /nfs/dbraw/zinc/79/46/21/205794621.db2.gz NJMAFLHPUNGKOD-UHFFFAOYSA-N 0 0 362.510 5.941 40 30 FKEBRN FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000095707767 571210033 /nfs/dbraw/zinc/21/00/33/571210033.db2.gz SNCGKZWVZZPGDQ-UHFFFAOYSA-N 0 0 370.948 5.191 40 30 FKEBRN CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC ZINC000095735982 570470950 /nfs/dbraw/zinc/47/09/50/570470950.db2.gz GIJUBRUJCGBQEM-UHFFFAOYSA-N 0 0 368.690 8.969 40 30 FKEBRN CCCCCCCCc1ccc(/C(Cl)=C\c2ccc(OCC)cc2)cc1 ZINC000095736006 570470935 /nfs/dbraw/zinc/47/09/35/570470935.db2.gz GSDUCZGRMDRJKE-LYBHJNIJSA-N 0 0 370.964 7.725 40 30 FKEBRN CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OCCCC ZINC000095740488 221970209 /nfs/dbraw/zinc/97/02/09/221970209.db2.gz FEXXLIKDYGCVGJ-RTWAWAEBSA-N 0 0 354.575 6.578 40 30 FKEBRN CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OCCCC ZINC000095740490 209085089 /nfs/dbraw/zinc/08/50/89/209085089.db2.gz FEXXLIKDYGCVGJ-SFTDATJTSA-N 0 0 354.575 6.578 40 30 FKEBRN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OCCCC ZINC000095740491 205794354 /nfs/dbraw/zinc/79/43/54/205794354.db2.gz FEXXLIKDYGCVGJ-NHCUHLMSSA-N 0 0 354.575 6.578 40 30 FKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCCCC ZINC000095740493 209084788 /nfs/dbraw/zinc/08/47/88/209084788.db2.gz FEXXLIKDYGCVGJ-LEWJYISDSA-N 0 0 354.575 6.578 40 30 FKEBRN CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@@H](C)O ZINC000095762540 221971055 /nfs/dbraw/zinc/97/10/55/221971055.db2.gz FPUPOIFZQAFGAI-JOCHJYFZSA-N 0 0 369.634 6.477 40 30 FKEBRN CCCCCCCCCCN(CCCCCCCCCC)C(=O)[C@H](C)O ZINC000095762541 221970795 /nfs/dbraw/zinc/97/07/95/221970795.db2.gz FPUPOIFZQAFGAI-QFIPXVFZSA-N 0 0 369.634 6.477 40 30 FKEBRN CCCCCCCCCCCCCCCCOC(=O)[C@@H](CC)CCCC ZINC000095785323 221970721 /nfs/dbraw/zinc/97/07/21/221970721.db2.gz XJNUECKWDBNFJV-QHCPKHFHSA-N 0 0 368.646 8.227 40 30 FKEBRN CCCCCCCCCCCCCCCCOC(=O)[C@H](CC)CCCC ZINC000095785327 209084592 /nfs/dbraw/zinc/08/45/92/209084592.db2.gz XJNUECKWDBNFJV-HSZRJFAPSA-N 0 0 368.646 8.227 40 30 FKEBRN C#CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000095803985 571306666 /nfs/dbraw/zinc/30/66/66/571306666.db2.gz SCMAJJQBADBBSM-UUHZKILRSA-N 0 0 370.577 5.091 40 30 in-vitro FKEBRN CCCCCCCCCCCCCCCCOC(=O)c1ccccc1O ZINC000095876673 263429151 /nfs/dbraw/zinc/42/91/51/263429151.db2.gz NHLHASWXBVULGU-UHFFFAOYSA-N 0 0 362.554 7.030 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Br)cc1Cl ZINC000096006186 570472271 /nfs/dbraw/zinc/47/22/71/570472271.db2.gz WDNCHXFLINDQTP-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N/c2ccc(Br)cc2Cl)ccc2ccccc12 ZINC000096006189 209094693 /nfs/dbraw/zinc/09/46/93/209094693.db2.gz SOHCAKFFDPHBMU-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)cc1C ZINC000096022524 571097852 /nfs/dbraw/zinc/09/78/52/571097852.db2.gz UASHKYUFFWZDNX-XKZIYDEJSA-N 0 0 362.433 5.065 40 30 FKEBRN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096031182 570695335 /nfs/dbraw/zinc/69/53/35/570695335.db2.gz PXCKOQHPOYLYPE-LMKQXYAQSA-N 0 0 358.522 5.086 40 30 FKEBRN CCCCCCCCCCCCCCCCCC(=O)NCc1ccccc1 ZINC000096282632 560060476 /nfs/dbraw/zinc/06/04/76/560060476.db2.gz IXODJGLAVBPVSW-UHFFFAOYSA-N 0 0 373.625 7.564 40 30 biogenic,in-vitro FKEBRN CC(=NNc1cc(C)c2ccccc2n1)c1ccc(-c2ccccc2)cc1 ZINC000096399176 571187928 /nfs/dbraw/zinc/18/79/28/571187928.db2.gz KVIZZQOPRXGOAM-ITYLOYPMSA-N 0 0 351.453 6.046 40 30 FKEBRN CCC(N=Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(Cl)c1 ZINC000096400487 571187987 /nfs/dbraw/zinc/18/79/87/571187987.db2.gz KPWQKYGFPPAUHS-HMAPJEAMSA-N 0 0 361.194 6.238 40 30 FKEBRN O=C1C(=CNN=c2[nH]c3ccccc3s2)CCCC1=Cc1ccccc1 ZINC000096400907 206541824 /nfs/dbraw/zinc/54/18/24/206541824.db2.gz CFRKKZCXKACRNH-NMPCKUKXSA-N 0 0 361.470 5.196 40 30 FKEBRN Cc1ccc(N=C2SCC(C)(C)N2CC(=O)c2ccc(C)cc2)cc1 ZINC000096402051 222120389 /nfs/dbraw/zinc/12/03/89/222120389.db2.gz WKAVDWIJWYVNCT-LSDHQDQOSA-N 0 0 352.503 5.001 40 30 FKEBRN Cc1ccc(C(=O)C=CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000096477740 209153397 /nfs/dbraw/zinc/15/33/97/209153397.db2.gz VEOOLOBBRGBGTI-SREVYHEPSA-N 0 0 373.296 5.841 40 30 FKEBRN C[C@@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 ZINC000096511109 222122590 /nfs/dbraw/zinc/12/25/90/222122590.db2.gz GOHWEYJPFWTIFE-SNVBAGLBSA-N 0 0 361.670 5.161 40 30 FKEBRN C[C@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Br)c2C1 ZINC000096511110 205877726 /nfs/dbraw/zinc/87/77/26/205877726.db2.gz GOHWEYJPFWTIFE-JTQLQIEISA-N 0 0 361.670 5.161 40 30 FKEBRN C=C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949831 571310728 /nfs/dbraw/zinc/31/07/28/571310728.db2.gz PUTFFSRJABOVAD-ONEGZZNKSA-N 0 0 372.124 5.673 40 30 FKEBRN CCCC/C=C\[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000097949867 519886980 /nfs/dbraw/zinc/88/69/80/519886980.db2.gz VTQJUMDFJZMYAO-RBSILHGTSA-N 0 0 368.186 5.768 40 30 FKEBRN CCCC/C=C\[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000097949868 519887102 /nfs/dbraw/zinc/88/71/02/519887102.db2.gz VTQJUMDFJZMYAO-KXTMECRCSA-N 0 0 368.186 5.768 40 30 FKEBRN Cc1ccc(NC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 ZINC000097957599 205929656 /nfs/dbraw/zinc/92/96/56/205929656.db2.gz OIXDUXHDVSPKQI-UHFFFAOYSA-N 0 0 351.262 5.126 40 30 FKEBRN CCCCCCCCOc1ccc(C=NNc2ccc(F)cc2F)cc1 ZINC000097980695 571188274 /nfs/dbraw/zinc/18/82/74/571188274.db2.gz XDYNMSKGIGADBA-LFVJCYFKSA-N 0 0 360.448 6.150 40 30 FKEBRN CCCCCCCCOc1ccc(C=NNc2ccccc2Cl)cc1 ZINC000097980739 571188312 /nfs/dbraw/zinc/18/83/12/571188312.db2.gz DYZLMHWIIMYYPQ-HAVVHWLPSA-N 0 0 358.913 6.525 40 30 FKEBRN CCCCCCCCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000097980868 571188195 /nfs/dbraw/zinc/18/81/95/571188195.db2.gz ARZIIICKDUVPQY-HAVVHWLPSA-N 0 0 364.493 5.748 40 30 FKEBRN CCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCC ZINC000098001498 570497230 /nfs/dbraw/zinc/49/72/30/570497230.db2.gz RYQVHNLUMJRDBJ-UHFFFAOYSA-N 0 0 372.550 5.160 40 30 FKEBRN CCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000100021298 209207608 /nfs/dbraw/zinc/20/76/08/209207608.db2.gz FQZYWEUVRMEURZ-YHFFBGSDSA-N 0 0 371.496 6.016 40 30 FKEBRN CCCCCCCCNC(=O)c1ccc(/N=C/c2cccc(OC)c2)cc1 ZINC000100025435 570498396 /nfs/dbraw/zinc/49/83/96/570498396.db2.gz UKWYKNYMYXUCEA-XIEYBQDHSA-N 0 0 366.505 5.536 40 30 FKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1Cl ZINC000100031164 222232695 /nfs/dbraw/zinc/23/26/95/222232695.db2.gz HFUNIJACWMOIFR-FYJGNVAPSA-N 0 0 351.793 5.742 40 30 FKEBRN Oc1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100031173 222233605 /nfs/dbraw/zinc/23/36/05/222233605.db2.gz HJQXBVIGXUJRQP-FYJGNVAPSA-N 0 0 368.230 5.698 40 30 FKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000100034053 209208002 /nfs/dbraw/zinc/20/80/02/209208002.db2.gz HMUMKSXDYGWWQH-FYJGNVAPSA-N 0 0 352.777 5.791 40 30 FKEBRN Brc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100034143 222233594 /nfs/dbraw/zinc/23/35/94/222233594.db2.gz PIVATZDYQKKODX-XDJDQNRRSA-N 0 0 364.246 6.615 40 30 FKEBRN CCCCCCCCCCCCCCCCCCOC[C@@H](CO)OC ZINC000100036947 209207356 /nfs/dbraw/zinc/20/73/56/209207356.db2.gz JWBOVDKFGDXGCR-JOCHJYFZSA-N 0 0 358.607 6.272 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CCCO1 ZINC000100049565 519971784 /nfs/dbraw/zinc/97/17/84/519971784.db2.gz GIPDEPRRXIBGNF-MZMPXXGTSA-N 0 0 366.586 6.746 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CCCO1 ZINC000100049569 519968549 /nfs/dbraw/zinc/96/85/49/519968549.db2.gz GIPDEPRRXIBGNF-DYYZXQNHSA-N 0 0 366.586 6.746 40 30 FKEBRN CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC ZINC000100051428 222232603 /nfs/dbraw/zinc/23/26/03/222232603.db2.gz TYLNXKAVUJJPMU-DNKOKRCQSA-N 0 0 356.550 7.027 40 30 FKEBRN COc1ccc(-c2csc(N=NC3C[C@@H]4CC[C@@]3(C)C4(C)C)n2)cc1 ZINC000100053446 571127955 /nfs/dbraw/zinc/12/79/55/571127955.db2.gz FKCHKTAROZJYOA-UKTLLCOVSA-N 0 0 355.507 5.433 40 30 FKEBRN Brc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100056024 222234818 /nfs/dbraw/zinc/23/48/18/222234818.db2.gz PIVATZDYQKKODX-FFRCMLGQSA-N 0 0 364.246 6.615 40 30 FKEBRN CCCCCCCC[N+]([O-])(CCCCCCCC)CCCCCCCC ZINC000100057649 570498635 /nfs/dbraw/zinc/49/86/35/570498635.db2.gz ZYQLPCAMAXPPMD-UHFFFAOYSA-N 0 0 369.678 8.383 40 30 FKEBRN C(=N\c1ccc(-c2ccc(/N=C\c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000100058304 570498641 /nfs/dbraw/zinc/49/86/41/570498641.db2.gz QUDPDXGSAOZKNW-RSSRHXQMSA-N 0 0 360.460 6.855 40 30 FKEBRN C(=N/c1ccc(-c2ccc(/N=C\c3ccccc3)cc2)cc1)\c1ccccc1 ZINC000100058306 570498621 /nfs/dbraw/zinc/49/86/21/570498621.db2.gz QUDPDXGSAOZKNW-RIRMOVKSSA-N 0 0 360.460 6.855 40 30 FKEBRN CCCCCCCCCCCCOC(=O)CCCCCCCCCCC ZINC000100060306 222234843 /nfs/dbraw/zinc/23/48/43/222234843.db2.gz CYUUZGXOQDCCGH-UHFFFAOYSA-N 0 0 368.646 8.371 40 30 FKEBRN CCCCCCCCCCCCCCCCCC1=N[C@@](C)(CO)CO1 ZINC000100061063 519992353 /nfs/dbraw/zinc/99/23/53/519992353.db2.gz RSDFPCQESXIWFY-QFIPXVFZSA-N 0 0 353.591 6.428 40 30 FKEBRN CCCCCCCCCCCCCCCCCC1=N[C@](C)(CO)CO1 ZINC000100061067 519991921 /nfs/dbraw/zinc/99/19/21/519991921.db2.gz RSDFPCQESXIWFY-JOCHJYFZSA-N 0 0 353.591 6.428 40 30 FKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccccc1 ZINC000100061206 519999624 /nfs/dbraw/zinc/99/96/24/519999624.db2.gz WNHJODQFRPJHCO-UHFFFAOYSA-N 0 0 360.586 7.289 40 30 FKEBRN CCCCCCCCCCCC(=O)[C@@H]1C(C)=NN(c2ccccc2)C1=O ZINC000100070096 519983154 /nfs/dbraw/zinc/98/31/54/519983154.db2.gz ZGLNYPQAUHQFES-NRFANRHFSA-N 0 0 356.510 5.515 40 30 FKEBRN CCCCCCCCCCCC(=O)[C@H]1C(C)=NN(c2ccccc2)C1=O ZINC000100070100 519983715 /nfs/dbraw/zinc/98/37/15/519983715.db2.gz ZGLNYPQAUHQFES-OAQYLSRUSA-N 0 0 356.510 5.515 40 30 FKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100070172 206221707 /nfs/dbraw/zinc/22/17/07/206221707.db2.gz SNDQGJLUXUXWSL-ZVHZXABRSA-N 0 0 359.473 5.420 40 30 FKEBRN CCCCCCCCCCNC(=S)NCCCCCCCCCC ZINC000100070878 222234455 /nfs/dbraw/zinc/23/44/55/222234455.db2.gz KVPJJDWEFYTGMD-UHFFFAOYSA-N 0 0 356.664 6.732 40 30 FKEBRN CCCCCCCCCOC(=O)CC(=O)OCCCCCCCCC ZINC000100072228 222234097 /nfs/dbraw/zinc/23/40/97/222234097.db2.gz WFVDDAALIZHTPI-UHFFFAOYSA-N 0 0 356.547 5.964 40 30 FKEBRN CC(C)(C)c1ccc(/N=C\c2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000100073395 570498805 /nfs/dbraw/zinc/49/88/05/570498805.db2.gz YWBDOYJXCIWBRP-ODLFYWEKSA-N 0 0 361.239 5.405 40 30 FKEBRN CCCCCCCc1cnc(-c2ccc(OCCCCCC)cc2)nc1 ZINC000100073832 520069440 /nfs/dbraw/zinc/06/94/40/520069440.db2.gz BHNCKGFFWRYBIL-UHFFFAOYSA-N 0 0 354.538 6.616 40 30 FKEBRN CCCCCCCOc1ccc(-c2ncc(CCCCCCC)cn2)cc1 ZINC000100073836 520062084 /nfs/dbraw/zinc/06/20/84/520062084.db2.gz XQQYMNZQNMFGAR-UHFFFAOYSA-N 0 0 368.565 7.006 40 30 FKEBRN O=C1/C(=C\c2cccs2)S/C(=N/c2ccccc2)N1C1CCCC1 ZINC000100076374 222233926 /nfs/dbraw/zinc/23/39/26/222233926.db2.gz YYSHSMGRAQHSIZ-SXXHPKIYSA-N 0 0 354.500 5.295 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100081773 206222218 /nfs/dbraw/zinc/22/22/18/206222218.db2.gz BKVIKGPYIXDAAC-OEAKJJBVSA-N 0 0 361.445 5.876 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 ZINC000100093537 570759650 /nfs/dbraw/zinc/75/96/50/570759650.db2.gz DJAJUXOVTUUIJZ-UFAQQFSPSA-N 0 0 372.468 5.002 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000100093542 570759587 /nfs/dbraw/zinc/75/95/87/570759587.db2.gz DJAJUXOVTUUIJZ-LIAPLOTISA-N 0 0 372.468 5.002 40 30 FKEBRN CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccc3ncccc3c2)O1 ZINC000100098969 520607465 /nfs/dbraw/zinc/60/74/65/520607465.db2.gz DZLWXAMRMLIEHI-NYTFHCBWSA-N 0 0 356.425 5.645 40 30 FKEBRN Cc1ccc(/N=C2/C/C(=N/c3ccc(C)c(C)c3)c3ccccc32)cc1C ZINC000100102051 570759925 /nfs/dbraw/zinc/75/99/25/570759925.db2.gz CAYRAYBHVSEUSA-DSOYXUETSA-N 0 0 352.481 6.566 40 30 FKEBRN CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OC ZINC000100104532 519980447 /nfs/dbraw/zinc/98/04/47/519980447.db2.gz BZHUUTOAKXXTMA-UHFFFAOYSA-N 0 0 360.582 6.818 40 30 FKEBRN Cc1c(/C=N/c2cccc(C)c2)c2ccccn2c1/C=N/c1cccc(C)c1 ZINC000100104928 570759854 /nfs/dbraw/zinc/75/98/54/570759854.db2.gz NHEWSRQCTMKRJQ-CTVDDJEBSA-N 0 0 365.480 6.366 40 30 FKEBRN Cc1c(/C=N/c2ccc(C)cc2)c2ccccn2c1/C=N/c1ccc(C)cc1 ZINC000100104936 206221743 /nfs/dbraw/zinc/22/17/43/206221743.db2.gz VMCFLBNLTLDGCV-CTVDDJEBSA-N 0 0 365.480 6.366 40 30 FKEBRN O=C1C=CC(=[NH+][N-]c2nonc2-c2ccccc2)C=C1C=Nc1ccccc1 ZINC000100108706 209209405 /nfs/dbraw/zinc/20/94/05/209209405.db2.gz GUWQIBFZRPWQSF-ZABKILNZSA-N 0 0 369.384 5.608 40 30 FKEBRN O=C1C=CC(=[NH+][N-]c2nonc2-c2ccccc2)C=C1C=Nc1ccccc1 ZINC000100108708 570858850 /nfs/dbraw/zinc/85/88/50/570858850.db2.gz GUWQIBFZRPWQSF-INSNIRTPSA-N 0 0 369.384 5.608 40 30 FKEBRN O=C1C=CC(=[NH+][N-]c2nonc2-c2ccccc2)C=C1C=Nc1ccccc1 ZINC000100108715 222235854 /nfs/dbraw/zinc/23/58/54/222235854.db2.gz GUWQIBFZRPWQSF-OEGUDMMCSA-N 0 0 369.384 5.608 40 30 FKEBRN CCCCCCCCCCCCCCCCn1c2ccccc2nc1CO ZINC000100114629 520003713 /nfs/dbraw/zinc/00/37/13/520003713.db2.gz FJEHNBZEGBDNTO-UHFFFAOYSA-N 0 0 372.597 7.010 40 30 FKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116516 206222209 /nfs/dbraw/zinc/22/22/09/206222209.db2.gz GOMFIEMQUQNYAO-YDZHTSKRSA-N 0 0 361.445 5.678 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116556 222236078 /nfs/dbraw/zinc/23/60/78/222236078.db2.gz MAPBWMPDIKXYMH-YDZHTSKRSA-N 0 0 361.445 5.678 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116667 222236274 /nfs/dbraw/zinc/23/62/74/222236274.db2.gz MOIUNXLDRPKRRE-WYMPLXKRSA-N 0 0 371.311 6.768 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116673 222236022 /nfs/dbraw/zinc/23/60/22/222236022.db2.gz OWWFNCAUNBCQEK-WYMPLXKRSA-N 0 0 371.311 6.768 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116679 222235761 /nfs/dbraw/zinc/23/57/61/222235761.db2.gz VPQGWHQMQLAFSK-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116700 206221682 /nfs/dbraw/zinc/22/16/82/206221682.db2.gz ITUOXCZNWCZWQP-BUVRLJJBSA-N 0 0 369.424 5.906 40 30 FKEBRN Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116705 222235781 /nfs/dbraw/zinc/23/57/81/222235781.db2.gz RSXSPWLNZUIKAZ-WGOQTCKBSA-N 0 0 352.481 6.615 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116782 206221732 /nfs/dbraw/zinc/22/17/32/206221732.db2.gz FLDZPXSOSKVZJA-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116830 570759875 /nfs/dbraw/zinc/75/98/75/570759875.db2.gz RZBSNOXBLAOZQA-OYKKKHCWSA-N 0 0 370.412 5.301 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116833 570759872 /nfs/dbraw/zinc/75/98/72/570759872.db2.gz OZXHKTDVEBDUTF-YSMPRRRNSA-N 0 0 353.469 6.010 40 30 FKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116857 570759864 /nfs/dbraw/zinc/75/98/64/570759864.db2.gz WODGZOHRFCYUOC-BUVRLJJBSA-N 0 0 369.424 5.906 40 30 FKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116863 222236353 /nfs/dbraw/zinc/23/63/53/222236353.db2.gz ATNCJUDAGBWJDE-WGOQTCKBSA-N 0 0 352.481 6.615 40 30 FKEBRN CCCCCCCCCCCCCCCC[C@@H](CCC)c1ccccc1 ZINC000100133453 520003012 /nfs/dbraw/zinc/00/30/12/520003012.db2.gz RFNYELHDUBVQMR-RUZDIDTESA-N 0 0 358.654 9.442 40 30 FKEBRN CCCCCCCCCCCCCCCC[C@H](CCC)c1ccccc1 ZINC000100133459 520003043 /nfs/dbraw/zinc/00/30/43/520003043.db2.gz RFNYELHDUBVQMR-VWLOTQADSA-N 0 0 358.654 9.442 40 30 FKEBRN Cl/C(=N/c1cccc2ccccc21)N(c1ccccc1)c1ccccc1 ZINC000100134145 222236230 /nfs/dbraw/zinc/23/62/30/222236230.db2.gz XWFIEOIMMLRDEE-BZZOAKBMSA-N 0 0 356.856 6.904 40 30 in-vitro FKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000100142467 570759603 /nfs/dbraw/zinc/75/96/03/570759603.db2.gz VMKZUJCMHPXPTG-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1nn(-c2ccccc2)c(/N=C/c2ccccc2O)c1-c1ccccc1 ZINC000100150475 222237320 /nfs/dbraw/zinc/23/73/20/222237320.db2.gz ZKGPVVHWUJZKMN-LFVJCYFKSA-N 0 0 353.425 5.304 40 30 FKEBRN CCc1ccc(/N=C2/C/C(=N/c3ccc(CC)cc3)c3ccccc32)cc1 ZINC000100160199 206221947 /nfs/dbraw/zinc/22/19/47/206221947.db2.gz JSRUIGDWNYQTON-DSOYXUETSA-N 0 0 352.481 6.457 40 30 FKEBRN CCCCCCCCCOc1ccc(/C=N\c2ccc(CC)cc2)cc1 ZINC000100167806 520029680 /nfs/dbraw/zinc/02/96/80/520029680.db2.gz JSULNRYOPRWGFZ-QQTULTPQSA-N 0 0 351.534 7.129 40 30 FKEBRN CCCCCCCOc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000100171872 570759686 /nfs/dbraw/zinc/75/96/86/570759686.db2.gz XWQVJGMBHSBLGK-CJLVFECKSA-N 0 0 350.466 5.358 40 30 FKEBRN CCCCCCCOc1ccc(C=NNc2nc3ccccc3[nH]2)cc1 ZINC000100171982 570759534 /nfs/dbraw/zinc/75/95/34/570759534.db2.gz MTSDUOVSEXWIQZ-CJLVFECKSA-N 0 0 350.466 5.358 40 30 FKEBRN CCCCCCOc1ccc(/C=N\c2ccc(C(=O)OCC)cc2)cc1 ZINC000100172424 222238068 /nfs/dbraw/zinc/23/80/68/222238068.db2.gz NCUKICSZOYPWEA-QJOMJCCJSA-N 0 0 353.462 5.573 40 30 FKEBRN O=C1c2ccccc2-c2cc(Br)c(/N=C\c3ccccc3)cc21 ZINC000100182700 570500924 /nfs/dbraw/zinc/50/09/24/570500924.db2.gz JENQTJINIMTWFE-UUYOSTAYSA-N 0 0 362.226 5.411 40 30 FKEBRN CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cccc(OCC)c1O ZINC000100182710 570759512 /nfs/dbraw/zinc/75/95/12/570759512.db2.gz RYDUWQRWTTYGPH-FSJBWODESA-N 0 0 367.367 5.349 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100188724 209480071 /nfs/dbraw/zinc/48/00/71/209480071.db2.gz HAGMRXCAZOYQJI-YZSQISJMSA-N 0 0 373.544 6.308 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000100188727 570759668 /nfs/dbraw/zinc/75/96/68/570759668.db2.gz XVIWDLVFFXSCFW-PCLIKHOPSA-N 0 0 363.480 5.830 40 30 FKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000100210417 570759522 /nfs/dbraw/zinc/75/95/22/570759522.db2.gz VMLZPLRJWXKCSW-MFKUBSTISA-N 0 0 374.484 5.638 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)ccc3C)c2C)cc1 ZINC000100212014 570759619 /nfs/dbraw/zinc/75/96/19/570759619.db2.gz DMMDKWYKFMQVOJ-MFKUBSTISA-N 0 0 374.484 5.638 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3C)c2C)cc1 ZINC000100212019 570759490 /nfs/dbraw/zinc/75/94/90/570759490.db2.gz LOQGJGFZTUURIC-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3)c2C)cc1 ZINC000100212075 570759506 /nfs/dbraw/zinc/75/95/06/570759506.db2.gz GDFLWRLNZPLVDZ-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 ZINC000100212120 570759596 /nfs/dbraw/zinc/75/95/96/570759596.db2.gz RDHWEFLNNGMVHG-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 ZINC000100212153 570759852 /nfs/dbraw/zinc/75/98/52/570759852.db2.gz AAKJBYNTHFXUJG-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100216135 206221869 /nfs/dbraw/zinc/22/18/69/206221869.db2.gz ZTTODHWEAVLHNY-MFKUBSTISA-N 0 0 374.484 5.638 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000100216202 206222240 /nfs/dbraw/zinc/22/22/40/206222240.db2.gz ICHLDSNHYLTWLO-MFKUBSTISA-N 0 0 370.452 5.134 40 30 FKEBRN CCOc1cc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)ccc1O ZINC000100223687 222239578 /nfs/dbraw/zinc/23/95/78/222239578.db2.gz JBSRWPHTZPUVQR-ZVHZXABRSA-N 0 0 358.441 5.062 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(C)cc1 ZINC000100234961 222239775 /nfs/dbraw/zinc/23/97/75/222239775.db2.gz XWHXPYQCXSTRNM-OUUNKBNMSA-N 0 0 370.905 5.662 40 30 FKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000100237724 523536625 /nfs/dbraw/zinc/53/66/25/523536625.db2.gz OECNJPNASSVPSM-AZJKVRHGSA-N 0 0 371.440 6.309 40 30 FKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100237729 518431555 /nfs/dbraw/zinc/43/15/55/518431555.db2.gz PLHRSFVRMDPWFE-FACPRWHCSA-N 0 0 355.441 6.609 40 30 FKEBRN Cc1nn(Cc2ccccc2)c(C)c1/C=N\c1ccc(Br)cc1 ZINC000100243333 209212486 /nfs/dbraw/zinc/21/24/86/209212486.db2.gz WBQYVDMLVULIRO-MTJSOVHGSA-N 0 0 368.278 5.061 40 30 FKEBRN COc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000100244993 523535678 /nfs/dbraw/zinc/53/56/78/523535678.db2.gz BRGSSWUORSDFSG-PBTXOSIISA-N 0 0 357.413 5.919 40 30 FKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000100245319 527596484 /nfs/dbraw/zinc/59/64/84/527596484.db2.gz SLPWDFZNCKAZLT-CQBAGECTSA-N 0 0 361.832 6.564 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(Br)c(Cl)c1 ZINC000100248300 222239865 /nfs/dbraw/zinc/23/98/65/222239865.db2.gz IIEZSSLNBBFQHN-KEBDBYFISA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)cc1Br ZINC000100248337 209212056 /nfs/dbraw/zinc/21/20/56/209212056.db2.gz AEIJLCQMRSSRSB-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)c(Br)c1 ZINC000100248343 209212459 /nfs/dbraw/zinc/21/24/59/209212459.db2.gz ZCABAIVVKCTNNM-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N\c2ccc(Br)c(Cl)c2)ccc2ccccc12 ZINC000100248537 209211379 /nfs/dbraw/zinc/21/13/79/209211379.db2.gz WFZAUSVKPJSZIL-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N\c2ccc(Cl)cc2Br)ccc2ccccc12 ZINC000100248613 222239534 /nfs/dbraw/zinc/23/95/34/222239534.db2.gz BWIZWANOEHYZIH-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Oc1c(/C=N\c2ccc(Cl)c(Br)c2)ccc2ccccc12 ZINC000100248621 222239245 /nfs/dbraw/zinc/23/92/45/222239245.db2.gz GYOMIQWMDLGDRK-JMIUGGIZSA-N 0 0 360.638 5.712 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(N(C)C)cc3)cc1)C2 ZINC000100253320 222239593 /nfs/dbraw/zinc/23/95/93/222239593.db2.gz OUPALRQWHSOKMK-CVKSISIWSA-N 0 0 369.512 5.640 40 30 FKEBRN CCCCCCCCOCCNC(=O)Nc1cc(F)c(F)cc1Cl ZINC000100285067 520041699 /nfs/dbraw/zinc/04/16/99/520041699.db2.gz YZGJAIKSVWZTOD-UHFFFAOYSA-N 0 0 362.848 5.117 40 30 FKEBRN CCCCCCCCCCCCC(=O)Nc1ccc(Br)cc1 ZINC000100286104 519985280 /nfs/dbraw/zinc/98/52/80/519985280.db2.gz FGTIDJVHTLXABP-UHFFFAOYSA-N 0 0 368.359 6.699 40 30 FKEBRN CCCCCCCCCCCCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100286108 519986873 /nfs/dbraw/zinc/98/68/73/519986873.db2.gz PAGWLSHATCUPKH-UHFFFAOYSA-N 0 0 358.353 7.243 40 30 FKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000100286611 209212551 /nfs/dbraw/zinc/21/25/51/209212551.db2.gz DGKAJFBWCOTIQA-MQNZSRATSA-N 0 0 373.537 5.347 40 30 FKEBRN CCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100295147 519966849 /nfs/dbraw/zinc/96/68/49/519966849.db2.gz VAZJSOGWHFPJDB-OALUTQOASA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100295151 519965338 /nfs/dbraw/zinc/96/53/38/519965338.db2.gz VAZJSOGWHFPJDB-YOFSQIOKSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000100295155 519965552 /nfs/dbraw/zinc/96/55/52/519965552.db2.gz VAZJSOGWHFPJDB-RTBURBONSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCCC(=O)OC(CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100297755 519972355 /nfs/dbraw/zinc/97/23/55/519972355.db2.gz IZUINEIOLHLHIT-PMACEKPBSA-N 0 0 368.558 5.567 40 30 FKEBRN CCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000100297757 519972344 /nfs/dbraw/zinc/97/23/44/519972344.db2.gz IZUINEIOLHLHIT-WCRBZPEASA-N 0 0 368.558 5.567 40 30 FKEBRN CCCCCCCCC(=O)OC(CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000100297759 519973449 /nfs/dbraw/zinc/97/34/49/519973449.db2.gz IZUINEIOLHLHIT-WOJBJXKFSA-N 0 0 368.558 5.567 40 30 FKEBRN CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OCCCC ZINC000100298161 222240409 /nfs/dbraw/zinc/24/04/09/222240409.db2.gz TWYGFFMOKNIFGX-LEWJYISDSA-N 0 0 372.590 5.533 40 30 FKEBRN CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OCCCC ZINC000100298162 222240700 /nfs/dbraw/zinc/24/07/00/222240700.db2.gz TWYGFFMOKNIFGX-NHCUHLMSSA-N 0 0 372.590 5.533 40 30 FKEBRN CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OCCCC ZINC000100298164 222240166 /nfs/dbraw/zinc/24/01/66/222240166.db2.gz TWYGFFMOKNIFGX-SFTDATJTSA-N 0 0 372.590 5.533 40 30 FKEBRN CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)OCCCC ZINC000100298166 209212294 /nfs/dbraw/zinc/21/22/94/209212294.db2.gz TWYGFFMOKNIFGX-RTWAWAEBSA-N 0 0 372.590 5.533 40 30 FKEBRN CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000100299973 209211700 /nfs/dbraw/zinc/21/17/00/209211700.db2.gz MPHZZARYNGUYDH-ZCNNSNEGSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000100299975 209212025 /nfs/dbraw/zinc/21/20/25/209212025.db2.gz MPHZZARYNGUYDH-UFYCRDLUSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000100299979 570502520 /nfs/dbraw/zinc/50/25/20/570502520.db2.gz MPHZZARYNGUYDH-XUVXKRRUSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000100299982 222240128 /nfs/dbraw/zinc/24/01/28/222240128.db2.gz MPHZZARYNGUYDH-SLFFLAALSA-N 0 0 354.531 5.177 40 30 FKEBRN CCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC ZINC000100300490 570502569 /nfs/dbraw/zinc/50/25/69/570502569.db2.gz HFSVAOMVBYXXBW-UHFFFAOYSA-N 0 0 370.574 6.354 40 30 FKEBRN CCCCCCCCCC[C@@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000100301956 222240490 /nfs/dbraw/zinc/24/04/90/222240490.db2.gz XJTVXJGPXZJACC-KRWDZBQOSA-N 0 0 364.463 5.715 40 30 FKEBRN CCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000100301958 222240817 /nfs/dbraw/zinc/24/08/17/222240817.db2.gz XJTVXJGPXZJACC-QGZVFWFLSA-N 0 0 364.463 5.715 40 30 FKEBRN CCCCCCCCCCCC(=O)OCCP(=O)(OCC)OCC ZINC000100302711 222240358 /nfs/dbraw/zinc/24/03/58/222240358.db2.gz XOYMBJDSLQDOSJ-UHFFFAOYSA-N 0 0 364.463 5.717 40 30 FKEBRN CCCCCCCCCCCCCC(=O)OCCCC[C@@H]1CCCO1 ZINC000100304485 519987976 /nfs/dbraw/zinc/98/79/76/519987976.db2.gz YNBODGDUUODERH-OAQYLSRUSA-N 0 0 354.575 6.580 40 30 FKEBRN CCCCCCCCCCCCCC(=O)OCCCC[C@H]1CCCO1 ZINC000100304487 519987798 /nfs/dbraw/zinc/98/77/98/519987798.db2.gz YNBODGDUUODERH-NRFANRHFSA-N 0 0 354.575 6.580 40 30 FKEBRN CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1 ZINC000100307604 570502823 /nfs/dbraw/zinc/50/28/23/570502823.db2.gz FFJWPXULECNYBC-UHFFFAOYSA-N 0 0 369.590 5.400 40 30 FKEBRN CCCCCCCCCCCCCCCCCc1nccn1CCO ZINC000100307706 519998916 /nfs/dbraw/zinc/99/89/16/519998916.db2.gz FHQAAMIOVUDAPE-UHFFFAOYSA-N 0 0 350.591 6.289 40 30 FKEBRN CCCCCCCCCCCCCCCCCCc1c(C)cc(C)cc1C ZINC000100307909 519996608 /nfs/dbraw/zinc/99/66/08/519996608.db2.gz SDJSEINVDXJJCL-UHFFFAOYSA-N 0 0 372.681 9.416 40 30 FKEBRN CCCCCCCCCCCCCCCCCCc1ccc(O)cc1O ZINC000100307956 570502833 /nfs/dbraw/zinc/50/28/33/570502833.db2.gz LWWXYKKZEDHOSM-UHFFFAOYSA-N 0 0 362.598 7.902 40 30 FKEBRN CCCCCCCCCCCCCCCCCCNC(=O)NCCO ZINC000100309157 209212448 /nfs/dbraw/zinc/21/24/48/209212448.db2.gz ZLPHWELNYCNFHK-UHFFFAOYSA-N 0 0 356.595 5.539 40 30 FKEBRN CCCCCCCCCCCCCCCCCCNC(=O)OCCO ZINC000100309191 222240603 /nfs/dbraw/zinc/24/06/03/222240603.db2.gz XTVFKAITUCVNMH-UHFFFAOYSA-N 0 0 357.579 5.966 40 30 FKEBRN CCCCCCCCCCCCCCCCCCOC(=O)c1ccco1 ZINC000100309330 519997517 /nfs/dbraw/zinc/99/75/17/519997517.db2.gz OEQDALBGMFPWRY-UHFFFAOYSA-N 0 0 364.570 7.698 40 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CCCCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1 ZINC000100318875 520000908 /nfs/dbraw/zinc/00/09/08/520000908.db2.gz SJNCMISSTSMUFF-UHFFFAOYSA-N 0 0 362.554 7.030 40 30 FKEBRN CCOc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1C(C)(C)C ZINC000100345763 570503100 /nfs/dbraw/zinc/50/31/00/570503100.db2.gz DGMPZXYPCNKBNO-ZVHZXABRSA-N 0 0 353.506 6.271 40 30 FKEBRN O=C1c2cc(Cl)ccc2-c2ccc(/N=C/c3ccccc3Cl)cc21 ZINC000100362560 222241619 /nfs/dbraw/zinc/24/16/19/222241619.db2.gz OMEKUCJMNAZLBG-FOKLQQMPSA-N 0 0 352.220 5.955 40 30 FKEBRN O=[N+]([O-])c1ccc(Br)c2cccc(/C=N\c3ccccc3)c21 ZINC000100369164 209213341 /nfs/dbraw/zinc/21/33/41/209213341.db2.gz YTROOTGTGLIWOO-ODLFYWEKSA-N 0 0 355.191 5.261 40 30 FKEBRN O=C1/C(=C\c2ccccc2Cl)CCCC/C1=C/c1ccccc1Cl ZINC000100389444 570503601 /nfs/dbraw/zinc/50/36/01/570503601.db2.gz SHLLNPTZMBSFFR-JTFWXBGUSA-N 0 0 357.280 6.604 40 30 FKEBRN Clc1cc(/C=N/c2c3ccccc3nc3ccccc32)c2c(c1)COCO2 ZINC000100395230 209212962 /nfs/dbraw/zinc/21/29/62/209212962.db2.gz OCQPQUNFULYBFS-BHGWPJFGSA-N 0 0 374.827 5.659 40 30 FKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)cc2)cc1)Nc1ccccc1 ZINC000100397899 570760332 /nfs/dbraw/zinc/76/03/32/570760332.db2.gz WDBWUGQCAPXZHP-UCQKPKSFSA-N 0 0 364.832 5.108 40 30 FKEBRN Clc1cccc(/N=C2\C/C(=N\c3cccc(Cl)c3)c3ccccc32)c1 ZINC000100402673 570760295 /nfs/dbraw/zinc/76/02/95/570760295.db2.gz KKCWMRSKZNFKQD-CTWPWMDCSA-N 0 0 365.263 6.639 40 30 FKEBRN FC(F)(F)c1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000100405468 206224053 /nfs/dbraw/zinc/22/40/53/206224053.db2.gz VTIKADFFGXQVTF-LGJNPRDNSA-N 0 0 366.386 5.976 40 30 FKEBRN O=C(OC(C(=O)c1ccccc1)=C1C=Cc2ccccc2N1)c1ccccc1 ZINC000100435298 222244231 /nfs/dbraw/zinc/24/42/31/222244231.db2.gz HWMGKPYQQDBPLF-XTQSDGFTSA-N 0 0 367.404 5.077 40 30 FKEBRN O=C1[C@@H](Cc2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100436135 209213241 /nfs/dbraw/zinc/21/32/41/209213241.db2.gz YRGIXGZBFRNAQP-QAHCAUCSSA-N 0 0 358.466 5.065 40 30 FKEBRN O=C1[C@H](Cc2ccccc2)S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000100436138 209213988 /nfs/dbraw/zinc/21/39/88/209213988.db2.gz YRGIXGZBFRNAQP-UTTYWZDOSA-N 0 0 358.466 5.065 40 30 FKEBRN O=C1/C(=C/c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000100437010 206223671 /nfs/dbraw/zinc/22/36/71/206223671.db2.gz GREKRRJHAWDIHC-GAADFGEESA-N 0 0 362.498 5.623 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000100457066 570760778 /nfs/dbraw/zinc/76/07/78/570760778.db2.gz IAZNIRQENAJYPS-CVKSISIWSA-N 0 0 364.448 5.816 40 30 FKEBRN Oc1c(/C=N\c2ccc(Cl)cn2)cc(Br)c2ccccc12 ZINC000100457825 206223607 /nfs/dbraw/zinc/22/36/07/206223607.db2.gz TUGOUMQGISEBSN-UWVJOHFNSA-N 0 0 361.626 5.107 40 30 FKEBRN O=C(O/C(=N\c1ccccc1)c1nccc2ccccc21)c1ccccc1 ZINC000100477052 209214494 /nfs/dbraw/zinc/21/44/94/209214494.db2.gz VEWWOBCZAALYKW-LVWGJNHUSA-N 0 0 352.393 5.170 40 30 FKEBRN C=CCSc1nc2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000100478852 570504533 /nfs/dbraw/zinc/50/45/33/570504533.db2.gz WSLNTXAMOSUCCH-WQRHYEAKSA-N 0 0 355.444 5.233 40 30 FKEBRN CCCCCCCCc1ccc(-c2ccc(SCCCCC)cc2)nc1 ZINC000100497634 263435829 /nfs/dbraw/zinc/43/58/29/263435829.db2.gz ICKZESLYFRUZEN-UHFFFAOYSA-N 0 0 369.618 7.934 40 30 FKEBRN CCCCCCCCCCCCCC(=O)N[C@H](O)C(Cl)(Cl)Cl ZINC000100498119 570761267 /nfs/dbraw/zinc/76/12/67/570761267.db2.gz RFWUSONQVLHGBQ-OAHLLOKOSA-N 0 0 374.780 5.492 40 30 FKEBRN CCCCCCCCCCCCCC(=O)N[C@@H](O)C(Cl)(Cl)Cl ZINC000100498122 222245067 /nfs/dbraw/zinc/24/50/67/222245067.db2.gz RFWUSONQVLHGBQ-HNNXBMFYSA-N 0 0 374.780 5.492 40 30 FKEBRN CCCCCCCCCN1C(=O)c2cccc3c(NC)ccc(c32)C1=O ZINC000100499448 570761292 /nfs/dbraw/zinc/76/12/92/570761292.db2.gz XHICYNNCIZQURK-UHFFFAOYSA-N 0 0 352.478 5.228 40 30 FKEBRN FC(F)=C(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F ZINC000100499638 222245352 /nfs/dbraw/zinc/24/53/52/222245352.db2.gz XSDYKRUQANQODG-UHFFFAOYSA-N 0 0 350.049 5.373 40 30 FKEBRN CCCCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC ZINC000100501265 209214988 /nfs/dbraw/zinc/21/49/88/209214988.db2.gz SGBMYGGEOQKEOP-YHQHYLOESA-N 0 0 372.593 7.642 40 30 FKEBRN CCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000100501542 209214729 /nfs/dbraw/zinc/21/47/29/209214729.db2.gz COAHVTXOBICIGS-NRFANRHFSA-N 0 0 356.591 6.562 40 30 FKEBRN CCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000100501543 222244911 /nfs/dbraw/zinc/24/49/11/222244911.db2.gz COAHVTXOBICIGS-OAQYLSRUSA-N 0 0 356.591 6.562 40 30 FKEBRN CCCCCCCCCCCCC=C1C(=O)C(OC)=CC(=O)C1OC ZINC000100502381 571191303 /nfs/dbraw/zinc/19/13/03/571191303.db2.gz IPVKEGILLRDHRN-UHFFFAOYSA-N 0 0 350.499 5.270 40 30 FKEBRN FC(F)(F)C1(C(F)(F)F)CCCCC1(C(F)(F)F)C(F)(F)F ZINC000100502957 209214232 /nfs/dbraw/zinc/21/42/32/209214232.db2.gz ROJNWRVVYQABDT-UHFFFAOYSA-N 0 0 356.150 5.782 40 30 FKEBRN CCOc1cccc(/C=N\c2cccc(-c3nc4ccccc4o3)c2)c1O ZINC000100505547 570761682 /nfs/dbraw/zinc/76/16/82/570761682.db2.gz PIKCXAGVBKQXQM-UCQKPKSFSA-N 0 0 358.397 5.350 40 30 FKEBRN CCCCCCCOc1ccc(CN=Nc2cc(Cl)nc(C)n2)cc1 ZINC000100506531 570761697 /nfs/dbraw/zinc/76/16/97/570761697.db2.gz YMGKIUMGKRMVCA-KGENOOAVSA-N 0 0 360.889 5.234 40 30 FKEBRN CCCCCCCCCCCC(=O)Nc1nnc(CCCCC)s1 ZINC000100508934 570762063 /nfs/dbraw/zinc/76/20/63/570762063.db2.gz NEXRDXZPNUOUOJ-UHFFFAOYSA-N 0 0 353.576 6.130 40 30 FKEBRN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3cccc(C(F)(F)F)c3)o2)c1 ZINC000100516520 222247239 /nfs/dbraw/zinc/24/72/39/222247239.db2.gz FXBFFQYVEATFCG-SSDVNMTOSA-N 0 0 360.291 5.624 40 30 FKEBRN CCCCCCCCCC(=O)Nc1sc2c(c1C#N)CC(C)(C)OC2 ZINC000100543361 519977683 /nfs/dbraw/zinc/97/76/83/519977683.db2.gz HTTVHUFQHYFCLY-UHFFFAOYSA-N 0 0 362.539 5.550 40 30 FKEBRN CCCCCCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 ZINC000100552239 222246831 /nfs/dbraw/zinc/24/68/31/222246831.db2.gz OVKULRYTZGCMQP-UHFFFAOYSA-N 0 0 361.555 5.206 40 30 FKEBRN Cc1ccc(N=C(C=CNc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 ZINC000100661901 525966842 /nfs/dbraw/zinc/96/68/42/525966842.db2.gz QDHYADLDOWEAFU-ZBUHDKIXSA-N 0 0 360.888 6.703 40 30 FKEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000100662086 209215823 /nfs/dbraw/zinc/21/58/23/209215823.db2.gz WOVNMQVPXPZGDE-FPLPWBNLSA-N 0 0 371.061 5.564 40 30 FKEBRN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1Cl ZINC000100662188 222249600 /nfs/dbraw/zinc/24/96/00/222249600.db2.gz FLTXWDPWUOKXNL-HJWRWDBZSA-N 0 0 350.643 5.219 40 30 FKEBRN CCCCCCCn1c2ccccc2nc1/N=C\c1nc2ccccc2n1C ZINC000100744145 222251176 /nfs/dbraw/zinc/25/11/76/222251176.db2.gz HHSQEVRPGIGDQR-ULJHMMPZSA-N 0 0 373.504 5.644 40 30 FKEBRN CCCCCCCCCCCCCCCCn1c(C=O)nc2ccccc21 ZINC000100757156 222252293 /nfs/dbraw/zinc/25/22/93/222252293.db2.gz GDUOVWQWGLFACP-UHFFFAOYSA-N 0 0 370.581 7.330 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1Cl ZINC000100840996 571001059 /nfs/dbraw/zinc/00/10/59/571001059.db2.gz QFDADRMACCWFJZ-UZYVYHOESA-N 0 0 361.297 5.942 40 30 FKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccccc1 ZINC000100870595 222255019 /nfs/dbraw/zinc/25/50/19/222255019.db2.gz UVQJZCDBSITYNI-OFKQMTKZSA-N 0 0 372.512 5.723 40 30 FKEBRN CCCCCCCCCCCCCCCC(=O)OCCSCCCC ZINC000100921102 222258354 /nfs/dbraw/zinc/25/83/54/222258354.db2.gz AESNIIHOZJJKTA-UHFFFAOYSA-N 0 0 372.659 7.544 40 30 FKEBRN CCCCCCCCCCCC(=O)OCCOCCSCCCC ZINC000100921104 222258104 /nfs/dbraw/zinc/25/81/04/222258104.db2.gz JJULIGUOMIMPJZ-UHFFFAOYSA-N 0 0 360.604 6.000 40 30 FKEBRN CCCCCCCCCCCCCCS(=O)(=O)NCc1ccccn1 ZINC000100921879 520008034 /nfs/dbraw/zinc/00/80/34/520008034.db2.gz HWPDYEVEQHUKDO-UHFFFAOYSA-N 0 0 368.587 5.202 40 30 FKEBRN CCCCCCCCCCOc1ccc(O)c(/C(CCCCC)=N/O)c1 ZINC000100922070 520023634 /nfs/dbraw/zinc/02/36/34/520023634.db2.gz NEIHFIQAJCUDFF-XTQSDGFTSA-N 0 0 363.542 6.670 40 30 FKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1cc(C)ccc1O ZINC000100922122 520014117 /nfs/dbraw/zinc/01/41/17/520014117.db2.gz QXZZNASAHGQLAY-UHFFFAOYSA-N 0 0 355.544 5.363 40 30 FKEBRN CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C ZINC000100923468 222258221 /nfs/dbraw/zinc/25/82/21/222258221.db2.gz HPEOAUXDEAEVHA-UHFFFAOYSA-N 0 0 355.607 6.353 40 30 FKEBRN CCCCCCCCOCCOC[C@H](O)COCCCCCCCC ZINC000100923939 209218708 /nfs/dbraw/zinc/21/87/08/209218708.db2.gz VHDXJQZUGOMCLK-OAQYLSRUSA-N 0 0 360.579 5.118 40 30 FKEBRN CCCCCCCCOCCOC[C@@H](O)COCCCCCCCC ZINC000100923940 209219392 /nfs/dbraw/zinc/21/93/92/209219392.db2.gz VHDXJQZUGOMCLK-NRFANRHFSA-N 0 0 360.579 5.118 40 30 FKEBRN CCCCCCCCCCCC(=O)c1ccc(OCCCCC)cc1O ZINC000100925704 519985873 /nfs/dbraw/zinc/98/58/73/519985873.db2.gz DTVIFSCCWIAOSD-UHFFFAOYSA-N 0 0 362.554 7.065 40 30 FKEBRN CCCCCCCCC/C(=N\O)c1cc(CCCCCC)c(O)cc1O ZINC000100925715 222258311 /nfs/dbraw/zinc/25/83/11/222258311.db2.gz QKCNLAJONFGOKX-BSYVCWPDSA-N 0 0 363.542 6.540 40 30 FKEBRN CCCCCCCCCC(=O)c1cc(CCCCCC)c(OC)cc1O ZINC000100925763 519979083 /nfs/dbraw/zinc/97/90/83/519979083.db2.gz RPMLUPOQZCGDET-UHFFFAOYSA-N 0 0 362.554 6.847 40 30 FKEBRN CCCCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1 ZINC000100925800 520006347 /nfs/dbraw/zinc/00/63/47/520006347.db2.gz VVVMSBXRXRXHJP-UHFFFAOYSA-N 0 0 364.526 6.259 40 30 FKEBRN CCCCCCCCCCCCCCCCNC(=O)c1ccccc1O ZINC000100925827 519998180 /nfs/dbraw/zinc/99/81/80/519998180.db2.gz VQLKICSMSHRLMF-UHFFFAOYSA-N 0 0 361.570 6.603 40 30 FKEBRN CCCCCCCCCCOc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000100925999 209219556 /nfs/dbraw/zinc/21/95/56/209219556.db2.gz FLMPDJLZFMMWIM-UHFFFAOYSA-N 0 0 354.490 6.143 40 30 FKEBRN COC(=O)c1ccc(/C=N\c2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000100927631 222257930 /nfs/dbraw/zinc/25/79/30/222257930.db2.gz PCZJQGWRZVQKJD-OYKKKHCWSA-N 0 0 370.408 5.340 40 30 FKEBRN CCCCCCCCCCCCOC(=O)CSc1nnc(C)s1 ZINC000100928477 520011213 /nfs/dbraw/zinc/01/12/13/520011213.db2.gz BQHYMQDQRAGWJE-UHFFFAOYSA-N 0 0 358.573 5.403 40 30 FKEBRN CCCCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1O ZINC000100930292 519958877 /nfs/dbraw/zinc/95/88/77/519958877.db2.gz OOCMOJCRCVIYQB-HIXSDJFHSA-N 0 0 368.477 6.014 40 30 FKEBRN CCCCCCCCCCOc1ccc(/C(CCCCC)=N/O)c(O)c1 ZINC000100930298 520022130 /nfs/dbraw/zinc/02/21/30/520022130.db2.gz AMPIFMXOZHCRNN-XTQSDGFTSA-N 0 0 363.542 6.670 40 30 FKEBRN CCCCCCCCCCCC(=O)c1cc(C)cc(Br)c1O ZINC000100931362 519986290 /nfs/dbraw/zinc/98/62/90/519986290.db2.gz DAZLSPYVQZTUEZ-UHFFFAOYSA-N 0 0 369.343 6.567 40 30 FKEBRN CCCCCCCCCC[C@H](SCC)C(=O)c1cc(C)ccc1O ZINC000100931367 520024929 /nfs/dbraw/zinc/02/49/29/520024929.db2.gz GZGKWQBLAILRFW-FQEVSTJZSA-N 0 0 350.568 6.536 40 30 FKEBRN CCCCCCCCCC[C@@H](SCC)C(=O)c1cc(C)ccc1O ZINC000100931369 520025589 /nfs/dbraw/zinc/02/55/89/520025589.db2.gz GZGKWQBLAILRFW-HXUWFJFHSA-N 0 0 350.568 6.536 40 30 FKEBRN CCCCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N ZINC000100932702 570800813 /nfs/dbraw/zinc/80/08/13/570800813.db2.gz VNMKCXLQVGFVDQ-UHFFFAOYSA-N 0 0 361.574 6.124 40 30 FKEBRN Cc1cc2nc(-c3cccc(/N=C\c4ccc([N+](=O)[O-])cc4)c3)oc2c(C)c1 ZINC000100933734 222258253 /nfs/dbraw/zinc/25/82/53/222258253.db2.gz XPZNVRBNSYVQSC-QRVIBDJDSA-N 0 0 371.396 5.770 40 30 FKEBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1ccccc1O ZINC000100933803 209220918 /nfs/dbraw/zinc/22/09/18/209220918.db2.gz QQLHBEPCNPQWPR-FMCGGJTJSA-N 0 0 362.816 5.913 40 30 FKEBRN CCCCCCCCCCC/C(=N/O)c1ccc(OCCCC)cc1O ZINC000100933918 519981540 /nfs/dbraw/zinc/98/15/40/519981540.db2.gz JWGOVEJYFBEWMV-LNVKXUELSA-N 0 0 363.542 6.670 40 30 FKEBRN CCCCCCCCCCCC(=O)Nc1nc(-c2ccccc2O)cs1 ZINC000100933937 222257765 /nfs/dbraw/zinc/25/77/65/222257765.db2.gz FSHMLBGPKFHKOV-UHFFFAOYSA-N 0 0 374.550 6.375 40 30 FKEBRN CCCCCCCCCCCCCCCCCC(=O)N(CC#N)CC#N ZINC000100933977 209220272 /nfs/dbraw/zinc/22/02/72/209220272.db2.gz JSVKEHYHJFTGRG-UHFFFAOYSA-N 0 0 361.574 6.124 40 30 FKEBRN CCCCCCCCCCN(CCO)C(=O)Nc1cccc(Cl)c1 ZINC000100934502 520017612 /nfs/dbraw/zinc/01/76/12/520017612.db2.gz NOVFXUQNWTXHCJ-UHFFFAOYSA-N 0 0 354.922 5.307 40 30 FKEBRN CCCCCCCCCCN(CCO)C(=O)Nc1cccc2ccccc21 ZINC000100934507 520020104 /nfs/dbraw/zinc/02/01/04/520020104.db2.gz FLNBMZGODGEVJR-UHFFFAOYSA-N 0 0 370.537 5.807 40 30 FKEBRN CCCCCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1 ZINC000100934561 209220653 /nfs/dbraw/zinc/22/06/53/209220653.db2.gz HRFNTUUOPSVBLG-UHFFFAOYSA-N 0 0 368.517 6.337 40 30 FKEBRN CCCCCCCCCCCCSC(=S)N(CCC#N)CCC#N ZINC000100934577 222257781 /nfs/dbraw/zinc/25/77/81/222257781.db2.gz BYWDVAKFEMZXNN-UHFFFAOYSA-N 0 0 367.628 6.055 40 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40 30 FKEBRN CCCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1N ZINC000100959383 570509498 /nfs/dbraw/zinc/50/94/98/570509498.db2.gz LPWVCRVGDAOCSH-UHFFFAOYSA-N 0 0 368.587 5.712 40 30 FKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000100959444 570509501 /nfs/dbraw/zinc/50/95/01/570509501.db2.gz QCYXUVBMFCCZSP-UHFFFAOYSA-N 0 0 367.555 5.552 40 30 FKEBRN CCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000100959453 222257737 /nfs/dbraw/zinc/25/77/37/222257737.db2.gz OGRHQTGMEXSYGA-UHFFFAOYSA-N 0 0 373.518 5.020 40 30 FKEBRN CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3[C@@H]2C#N)cc1 ZINC000100965331 209220854 /nfs/dbraw/zinc/22/08/54/209220854.db2.gz NULHVPJQZXWBIO-QHCPKHFHSA-N 0 0 374.484 5.727 40 30 FKEBRN CCCCCCCOc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1 ZINC000100965333 222257642 /nfs/dbraw/zinc/25/76/42/222257642.db2.gz NULHVPJQZXWBIO-HSZRJFAPSA-N 0 0 374.484 5.727 40 30 FKEBRN CCCCCCCc1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000100984479 222259829 /nfs/dbraw/zinc/25/98/29/222259829.db2.gz JUTCIZFINAWAQM-URXFXBBRSA-N 0 0 355.566 6.240 40 30 FKEBRN CCCCCCCc1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000100984481 263437590 /nfs/dbraw/zinc/43/75/90/263437590.db2.gz JUTCIZFINAWAQM-ZJSXRUAMSA-N 0 0 355.566 6.240 40 30 FKEBRN CCCCCCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000100984485 570509668 /nfs/dbraw/zinc/50/96/68/570509668.db2.gz ZLRQQEVGNZPNLZ-UHFFFAOYSA-N 0 0 358.413 5.499 40 30 FKEBRN CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000100984488 570509677 /nfs/dbraw/zinc/50/96/77/570509677.db2.gz NTIKCTFOTQCAPY-UHFFFAOYSA-N 0 0 367.489 5.629 40 30 FKEBRN CCCCCCCc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000100984490 222259364 /nfs/dbraw/zinc/25/93/64/222259364.db2.gz DCGXYJKZUNRJQN-UHFFFAOYSA-N 0 0 370.449 5.369 40 30 FKEBRN CCCCCCCCCCNC(=S)NCCc1ccc(Cl)cc1 ZINC000100984945 520019362 /nfs/dbraw/zinc/01/93/62/520019362.db2.gz WVFXOBBCTFVCLH-UHFFFAOYSA-N 0 0 354.991 5.487 40 30 FKEBRN CCCCCCCCCCCCc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000101004824 222259442 /nfs/dbraw/zinc/25/94/42/222259442.db2.gz ZLJDSDUACHVLEO-OCEACIFDSA-N 0 0 366.549 8.271 40 30 FKEBRN CCCCCCCCCCC(CO)(CO)CCCCCCCCCC ZINC000101004881 222259264 /nfs/dbraw/zinc/25/92/64/222259264.db2.gz KUAUHGYNDGHQBF-UHFFFAOYSA-N 0 0 356.635 7.019 40 30 FKEBRN CCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005025 520062411 /nfs/dbraw/zinc/06/24/11/520062411.db2.gz GLFKURSYOLGFTI-LFIBNONCSA-N 0 0 366.457 5.467 40 30 FKEBRN C(=N\c1ccc2[nH]c3ccc(/N=C\c4ccccc4)cc3c2c1)\c1ccccc1 ZINC000101131986 209221728 /nfs/dbraw/zinc/22/17/28/209221728.db2.gz ADLAGHAWPHZCJN-HJTNQMAYSA-N 0 0 373.459 6.822 40 30 FKEBRN O[C@]12CCCC[C@@H]1[C@H](c1ccccc1)[C@@H]1CCC[C@H]2C1N=Nc1ccccc1 ZINC000101138579 570543819 /nfs/dbraw/zinc/54/38/19/570543819.db2.gz QYOXYFORJPSJMA-NZYDCQCSSA-N 0 0 374.528 5.590 40 30 FKEBRN O[C@]12CCCC[C@@H]1[C@@H](c1ccccc1)[C@@H]1CCC[C@H]2C1N=Nc1ccccc1 ZINC000101138584 209222246 /nfs/dbraw/zinc/22/22/46/209222246.db2.gz QYOXYFORJPSJMA-JMMDCEFESA-N 0 0 374.528 5.590 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(-c2cn3ccccc3n2)cc1 ZINC000101206327 209221351 /nfs/dbraw/zinc/22/13/51/209221351.db2.gz QCNGURAQQCHBDL-MYYYXRDXSA-N 0 0 363.420 5.611 40 30 FKEBRN COc1c(Cl)cc(Cl)cc1/C=N\c1sc2c(c1C#N)CCCC2 ZINC000101206554 209487919 /nfs/dbraw/zinc/48/79/19/209487919.db2.gz RYAXKGPLIDYASK-NKVSQWTQSA-N 0 0 365.285 5.565 40 30 FKEBRN N#Cc1c(/N=C/c2cccs2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000101206732 570510854 /nfs/dbraw/zinc/51/08/54/570510854.db2.gz QELVXJVSYDVOKV-BUVRLJJBSA-N 0 0 370.502 6.766 40 30 FKEBRN Cc1ccc(/C=N/c2sc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000101206737 222265224 /nfs/dbraw/zinc/26/52/24/222265224.db2.gz JCHLWXFBTYQRHO-MFKUBSTISA-N 0 0 368.461 6.606 40 30 FKEBRN CC(=O)C(C(C)=Nc1c(C)cccc1C)C(=O)Nc1cccc2ccccc21 ZINC000101400265 570512207 /nfs/dbraw/zinc/51/22/07/570512207.db2.gz YYQHFJCESYSBMT-OQKWZONESA-N 0 0 372.468 5.370 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccc(C)cc1 ZINC000101405528 222273445 /nfs/dbraw/zinc/27/34/45/222273445.db2.gz SIUPQTLWAXZFAG-KLPPEWMLSA-N 0 0 366.486 5.018 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)cccc1CC ZINC000101455731 210103442 /nfs/dbraw/zinc/10/34/42/210103442.db2.gz NRWUJXQDZSIVSU-LNVKXUELSA-N 0 0 368.933 6.159 40 30 FKEBRN CCCCCCCCCCCCCCCCCCc1ccc(O)c(O)c1 ZINC000101461810 222275150 /nfs/dbraw/zinc/27/51/50/222275150.db2.gz PCLRIVGOWSVQBC-UHFFFAOYSA-N 0 0 362.598 7.902 40 30 FKEBRN CCCCCCCCCCCCCCCCCc1csc(=S)s1 ZINC000101463176 519999445 /nfs/dbraw/zinc/99/94/45/519999445.db2.gz JLYAOFBZLYGGHN-UHFFFAOYSA-N 0 0 372.709 8.953 40 30 FKEBRN CCCCCCCCCCCCCCCCCc1ccc(C#N)c(C#N)c1 ZINC000101463221 519999086 /nfs/dbraw/zinc/99/90/86/519999086.db2.gz AYNMZUFCRZRMQG-UHFFFAOYSA-N 0 0 366.593 7.844 40 30 FKEBRN Clc1ccc(/N=C\c2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 ZINC000101465326 222275631 /nfs/dbraw/zinc/27/56/31/222275631.db2.gz ITCBZDBGGMJBQB-GACBQCINSA-N 0 0 353.252 6.495 40 30 FKEBRN Clc1ccc(/N=C/c2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 ZINC000101465328 222275314 /nfs/dbraw/zinc/27/53/14/222275314.db2.gz ITCBZDBGGMJBQB-NQGGHMMCSA-N 0 0 353.252 6.495 40 30 FKEBRN Clc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2Cl)cc1 ZINC000101487904 222276771 /nfs/dbraw/zinc/27/67/71/222276771.db2.gz PZGVNFWUAIWZMQ-GACBQCINSA-N 0 0 353.252 6.495 40 30 FKEBRN Clc1ccccc1/N=C/c1ccc(/C=N\c2ccccc2Cl)cc1 ZINC000101487907 209226888 /nfs/dbraw/zinc/22/68/88/209226888.db2.gz PZGVNFWUAIWZMQ-NQGGHMMCSA-N 0 0 353.252 6.495 40 30 FKEBRN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C)C1=O ZINC000101508497 570765786 /nfs/dbraw/zinc/76/57/86/570765786.db2.gz ZVPLGTYLVYMWMP-CRUFNBOHSA-N 0 0 361.470 5.019 40 30 FKEBRN O=C(Nc1sc2c(c1/C=N/c1ccccc1)CCCC2)c1ccccc1 ZINC000101538965 222278326 /nfs/dbraw/zinc/27/83/26/222278326.db2.gz HYGKFRPSISBPBX-HZHRSRAPSA-N 0 0 360.482 5.630 40 30 FKEBRN Cc1ccc(/N=C/N(C(=S)NCc2ccccc2)c2ccc(C)cc2)cc1 ZINC000101548327 210086763 /nfs/dbraw/zinc/08/67/63/210086763.db2.gz DGSQXISEQLIDAT-KOEQRZSOSA-N 0 0 373.525 5.545 40 30 FKEBRN COc1cc(/C=N/c2c(C)n[nH]c2C)ccc1OCc1ccccc1Cl ZINC000101549701 521999435 /nfs/dbraw/zinc/99/94/35/521999435.db2.gz BQFPHVNNKHZUPV-SSDVNMTOSA-N 0 0 369.852 5.018 40 30 FKEBRN CCCCCCCOc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000101616348 520066338 /nfs/dbraw/zinc/06/63/38/520066338.db2.gz HBRKNQPFZVNCNL-JWGURIENSA-N 0 0 367.518 6.092 40 30 FKEBRN FC(F)(F)c1ccc(/N=C/c2ccc(OC3CSC3)cc2)cc1Cl ZINC000101627736 206227604 /nfs/dbraw/zinc/22/76/04/206227604.db2.gz VTUHYPQTWNJKEJ-GZIVZEMBSA-N 0 0 371.811 5.604 40 30 FKEBRN CCN(CC)c1ccc(/C=N/c2ccc3c(c2)c2ccccc2n3CC)cc1 ZINC000101652780 205965465 /nfs/dbraw/zinc/96/54/65/205965465.db2.gz XUUNUYHYRHRFQZ-NLRVBDNBSA-N 0 0 369.512 6.411 40 30 FKEBRN CCc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)nc2c1 ZINC000101657386 222281291 /nfs/dbraw/zinc/28/12/91/222281291.db2.gz DMELEYYDVOVYIE-ZVHZXABRSA-N 0 0 356.425 5.822 40 30 FKEBRN Brc1cccc(/C=N/c2c3ccccc3nc3ccccc32)c1 ZINC000101670321 571139261 /nfs/dbraw/zinc/13/92/61/571139261.db2.gz KNCOSLVKNVQBPH-LPYMAVHISA-N 0 0 361.242 5.901 40 30 FKEBRN CCCCCCCNC(=O)CCCCCCCCCCSCCCC ZINC000101673539 222281288 /nfs/dbraw/zinc/28/12/88/222281288.db2.gz UEZDCJRSVYMFJJ-UHFFFAOYSA-N 0 0 371.675 7.117 40 30 FKEBRN CCCCCCCCC[C@@H](CCCCC)C(=O)NCCCCCCC ZINC000101673673 222280559 /nfs/dbraw/zinc/28/05/59/222280559.db2.gz HHXSOVSLXMHUAX-JOCHJYFZSA-N 0 0 353.635 7.410 40 30 FKEBRN CCCCCCCCC[C@H](CCCCC)C(=O)NCCCCCCC ZINC000101673676 222281061 /nfs/dbraw/zinc/28/10/61/222281061.db2.gz HHXSOVSLXMHUAX-QFIPXVFZSA-N 0 0 353.635 7.410 40 30 FKEBRN CCCCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(C)cc1 ZINC000101674679 519985413 /nfs/dbraw/zinc/98/54/13/519985413.db2.gz UGIOTGXAMYHJRZ-UHFFFAOYSA-N 0 0 373.581 6.984 40 30 FKEBRN CCCCCCCCCCC(=O)CCCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000101674682 519980337 /nfs/dbraw/zinc/98/03/37/519980337.db2.gz CRCQGUFXCOOMGP-UHFFFAOYSA-N 0 0 373.537 6.098 40 30 FKEBRN CN(C)c1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 ZINC000101711104 206228653 /nfs/dbraw/zinc/22/86/53/206228653.db2.gz WXCMZDUVAYRTIW-STZFKDTASA-N 0 0 368.278 5.056 40 30 FKEBRN Clc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)c(Cl)c1 ZINC000101743384 209489534 /nfs/dbraw/zinc/48/95/34/209489534.db2.gz BWZZVLPFWQZPQN-NKVSQWTQSA-N 0 0 360.196 5.733 40 30 FKEBRN Brc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)cc1 ZINC000101746931 206227688 /nfs/dbraw/zinc/22/76/88/206227688.db2.gz HFGZNXCRVKZCTH-JMIUGGIZSA-N 0 0 370.202 5.188 40 30 FKEBRN CCCCCCCCCCc1c(C)nc(N2CCc3ccccc32)[nH]c1=O ZINC000102241507 222292590 /nfs/dbraw/zinc/29/25/90/222292590.db2.gz WIPWZMGUSYULRI-UHFFFAOYSA-N 0 0 367.537 5.456 40 30 FKEBRN CCCCCCCCCCc1c(C)nc(Nc2ccc(OC)cc2)[nH]c1=O ZINC000102241519 222292793 /nfs/dbraw/zinc/29/27/93/222292793.db2.gz GBHSITIUPDJHHB-UHFFFAOYSA-N 0 0 371.525 5.514 40 30 FKEBRN CCCCCCCCCCCCCCCCOc1ccc(/C=N/O)cc1 ZINC000102312203 570514939 /nfs/dbraw/zinc/51/49/39/570514939.db2.gz VNFNTKWCBUWOGT-DARPEHSRSA-N 0 0 361.570 7.355 40 30 FKEBRN Cc1ccc(/N=C2/C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)cc1Cl ZINC000102432713 209236049 /nfs/dbraw/zinc/23/60/49/209236049.db2.gz JOHFEEFJMAIIPY-RPJXVUCDSA-N 0 0 373.883 6.096 40 30 FKEBRN 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CCCCCCCCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000104097536 222350148 /nfs/dbraw/zinc/35/01/48/222350148.db2.gz PSMHLEWRGIGRNB-LNVKXUELSA-N 0 0 353.466 6.162 40 30 FKEBRN CCCCCCCCCCCCCCC/C=C\c1ccc2ccccc2c1 ZINC000104098051 519988271 /nfs/dbraw/zinc/98/82/71/519988271.db2.gz MPEBPZLRHZEWBN-MNDPQUGUSA-N 0 0 364.617 9.334 40 30 FKEBRN CCCCCCCCCCCCCCC/C=C/c1ccc2ccccc2c1 ZINC000104098055 519988633 /nfs/dbraw/zinc/98/86/33/519988633.db2.gz MPEBPZLRHZEWBN-KNTRCKAVSA-N 0 0 364.617 9.334 40 30 FKEBRN COc1ccc(/C=C/C(=N/N=C\c2ccccc2O)c2ccc(F)cc2)cc1 ZINC000104103457 523383283 /nfs/dbraw/zinc/38/32/83/523383283.db2.gz GFTFCQRPCUHCEL-YUWWQOEDSA-N 0 0 374.415 5.077 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](C)COC ZINC000104109744 570520373 /nfs/dbraw/zinc/52/03/73/570520373.db2.gz QYHQEBIHGUJHIN-GMGKOPGTSA-N 0 0 353.591 6.175 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](C)COC ZINC000104109748 570520383 /nfs/dbraw/zinc/52/03/83/570520383.db2.gz QYHQEBIHGUJHIN-VIOKTNGOSA-N 0 0 353.591 6.175 40 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CC(C)(C)/N=C1\CC(C)(C)c2ccccc2/C(=N/c2ccccc2)S1 ZINC000104294335 222353709 /nfs/dbraw/zinc/35/37/09/222353709.db2.gz RSNMJUIJZLBDNQ-WLQBHDFDSA-N 0 0 350.531 6.376 40 30 FKEBRN CC(C)(C)/N=C1/CC(C)(C)c2ccccc2/C(=N/c2ccccc2)S1 ZINC000104294340 209259994 /nfs/dbraw/zinc/25/99/94/209259994.db2.gz RSNMJUIJZLBDNQ-IMTZVKBRSA-N 0 0 350.531 6.376 40 30 FKEBRN CC(C)(C)/N=C1\CC(C)(C)c2ccccc2/C(=N\c2ccccc2)S1 ZINC000104294346 222353913 /nfs/dbraw/zinc/35/39/13/222353913.db2.gz RSNMJUIJZLBDNQ-YOMDHMBNSA-N 0 0 350.531 6.376 40 30 FKEBRN S=C1SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000104311281 209261440 /nfs/dbraw/zinc/26/14/40/209261440.db2.gz NZMXBTYRQWCQMS-XOODDYIFSA-N 0 0 373.506 5.985 40 30 FKEBRN S=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000104311292 209261145 /nfs/dbraw/zinc/26/11/45/209261145.db2.gz NZMXBTYRQWCQMS-JMALZQNKSA-N 0 0 373.506 5.985 40 30 FKEBRN C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1 ZINC000104313266 222354991 /nfs/dbraw/zinc/35/49/91/222354991.db2.gz NMTVOLGEUFUEOW-IGNQMSMHSA-N 0 0 374.487 7.349 40 30 FKEBRN C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1 ZINC000104313270 222354933 /nfs/dbraw/zinc/35/49/33/222354933.db2.gz NMTVOLGEUFUEOW-MMVYTCBNSA-N 0 0 374.487 7.349 40 30 FKEBRN C(=CNc1ccc(-c2ccccc2)cc1)C=Nc1ccc(-c2ccccc2)cc1 ZINC000104313275 222355335 /nfs/dbraw/zinc/35/53/35/222355335.db2.gz NMTVOLGEUFUEOW-UIJIQULRSA-N 0 0 374.487 7.349 40 30 FKEBRN Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1 ZINC000104313284 570521308 /nfs/dbraw/zinc/52/13/08/570521308.db2.gz WCKYYJKBGZSGCJ-IZGVBACNSA-N 0 0 360.071 6.628 40 30 FKEBRN Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1 ZINC000104313287 222356292 /nfs/dbraw/zinc/35/62/92/222356292.db2.gz WCKYYJKBGZSGCJ-MOFRGKDSSA-N 0 0 360.071 6.628 40 30 FKEBRN Clc1cc(Cl)cc(N=CC=CNc2cc(Cl)cc(Cl)c2)c1 ZINC000104313291 209261183 /nfs/dbraw/zinc/26/11/83/209261183.db2.gz WCKYYJKBGZSGCJ-AKVOSGIGSA-N 0 0 360.071 6.628 40 30 FKEBRN C[C@@H]1CC/C(=C/c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000104318004 222356277 /nfs/dbraw/zinc/35/62/77/222356277.db2.gz OMLHTHDNMOEJMF-MVCXFYGJSA-N 0 0 357.280 6.459 40 30 FKEBRN C[C@@H]1CC/C(=C\c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000104318009 205999439 /nfs/dbraw/zinc/99/94/39/205999439.db2.gz OMLHTHDNMOEJMF-BJFMJZMRSA-N 0 0 357.280 6.459 40 30 FKEBRN CCCCCCCCCCCCCCOC(=N)c1ccc(O)c(OC)c1 ZINC000104324802 520005603 /nfs/dbraw/zinc/00/56/03/520005603.db2.gz DAWZDNNYWQMLQM-UHFFFAOYSA-N 0 0 363.542 6.444 40 30 FKEBRN CCCCCCCCCCCCCCCCCC1=N[C@@](CC)(CO)CO1 ZINC000104326447 519991939 /nfs/dbraw/zinc/99/19/39/519991939.db2.gz ZFRHGYULKOIOBB-QHCPKHFHSA-N 0 0 367.618 6.818 40 30 FKEBRN CCCCCCCCCCCCCCCCCC1=N[C@](CC)(CO)CO1 ZINC000104326454 519993425 /nfs/dbraw/zinc/99/34/25/519993425.db2.gz ZFRHGYULKOIOBB-HSZRJFAPSA-N 0 0 367.618 6.818 40 30 FKEBRN CCCCCCCCCCCC(=O)OC[C@]1(C)COC(c2ccccc2)=N1 ZINC000104326472 519984510 /nfs/dbraw/zinc/98/45/10/519984510.db2.gz VTCZCBWNQMSXCP-HSZRJFAPSA-N 0 0 373.537 5.686 40 30 FKEBRN CCCCCCCCCCCC(=O)OC[C@@]1(C)COC(c2ccccc2)=N1 ZINC000104326476 519983069 /nfs/dbraw/zinc/98/30/69/519983069.db2.gz VTCZCBWNQMSXCP-QHCPKHFHSA-N 0 0 373.537 5.686 40 30 FKEBRN CCCCCCCCCCCC1=N[C@@](C)(COC(=O)c2ccccc2)CO1 ZINC000104326483 519985890 /nfs/dbraw/zinc/98/58/90/519985890.db2.gz QHBPGMYOYGWKSF-HSZRJFAPSA-N 0 0 373.537 5.952 40 30 FKEBRN CCCCCCCCCCCC1=N[C@](C)(COC(=O)c2ccccc2)CO1 ZINC000104326490 519985549 /nfs/dbraw/zinc/98/55/49/519985549.db2.gz QHBPGMYOYGWKSF-QHCPKHFHSA-N 0 0 373.537 5.952 40 30 FKEBRN CCCCCCCCCCCCCCCC[NH2+]CCCCCC(=O)[O-] ZINC000104338779 209261194 /nfs/dbraw/zinc/26/11/94/209261194.db2.gz GOWCFTMXXXIBGF-UHFFFAOYSA-N 0 0 355.607 6.702 40 30 FKEBRN CCCCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)[O-] ZINC000104338782 209261291 /nfs/dbraw/zinc/26/12/91/209261291.db2.gz SNTFFZGIMDNBSO-UHFFFAOYSA-O 0 0 356.615 6.409 40 30 FKEBRN CCCCCCCCCCCCc1ccc(OC(=O)OCCCC)cc1 ZINC000104339006 222356312 /nfs/dbraw/zinc/35/63/12/222356312.db2.gz RCWRLYABMOBYRW-UHFFFAOYSA-N 0 0 362.554 7.466 40 30 FKEBRN CCCCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000104343984 520026995 /nfs/dbraw/zinc/02/69/95/520026995.db2.gz NCEFDWJYYQJIKU-UHFFFAOYSA-N 0 0 367.489 6.359 40 30 FKEBRN CCCC[C@@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C/C(C)C ZINC000104347307 209261382 /nfs/dbraw/zinc/26/13/82/209261382.db2.gz XAVZCHZOMKLYST-CEKHXOICSA-N 0 0 368.602 6.560 40 30 FKEBRN CCCC[C@H](CC)COC(OC[C@@H](CC)CCCC)C(=O)/C=C\C(C)C ZINC000104347309 570521338 /nfs/dbraw/zinc/52/13/38/570521338.db2.gz XAVZCHZOMKLYST-DCXOKYQQSA-N 0 0 368.602 6.560 40 30 FKEBRN CCCCCCCCN(CCCCCCCC)C(=O)c1cccc(C)c1 ZINC000104349758 520032949 /nfs/dbraw/zinc/03/29/49/520032949.db2.gz LDQOARRFWXCOII-UHFFFAOYSA-N 0 0 359.598 7.158 40 30 FKEBRN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCCO1 ZINC000104355731 519992643 /nfs/dbraw/zinc/99/26/43/519992643.db2.gz RYQKMSDUKYBZSD-QFIPXVFZSA-N 0 0 368.602 6.970 40 30 FKEBRN CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1CCCO1 ZINC000104355736 519992037 /nfs/dbraw/zinc/99/20/37/519992037.db2.gz RYQKMSDUKYBZSD-JOCHJYFZSA-N 0 0 368.602 6.970 40 30 FKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1 ZINC000104359008 519998671 /nfs/dbraw/zinc/99/86/71/519998671.db2.gz CGHKAWXHKWPCQV-UHFFFAOYSA-N 0 0 374.613 7.598 40 30 FKEBRN CCCCCCCCCCCC[PH](CCCC)(CCCC)CCCC ZINC000104361191 206000345 /nfs/dbraw/zinc/00/03/45/206000345.db2.gz MNATZCXKUUYIAY-UHFFFAOYSA-N 0 0 372.662 9.058 40 30 FKEBRN CCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1O ZINC000104364139 222355471 /nfs/dbraw/zinc/35/54/71/222355471.db2.gz TWMIGWGQJJUBSY-HIXSDJFHSA-N 0 0 361.570 6.998 40 30 FKEBRN CCCCCCCCCCCCCCCC/N=C/c1ccccc1[N+](=O)[O-] ZINC000104364165 519991225 /nfs/dbraw/zinc/99/12/25/519991225.db2.gz NBYPHQTTYMLIAF-DARPEHSRSA-N 0 0 374.569 7.495 40 30 FKEBRN CCCCCCCCCCCCCCCC/N=C\c1ccc2c(c1)OCO2 ZINC000104364179 519989562 /nfs/dbraw/zinc/98/95/62/519989562.db2.gz JVIFNTIEDXETDU-QQTULTPQSA-N 0 0 373.581 7.316 40 30 FKEBRN CCCCCCCCCCCCCCCC/N=C/c1ccc2c(c1)OCO2 ZINC000104364183 519991392 /nfs/dbraw/zinc/99/13/92/519991392.db2.gz JVIFNTIEDXETDU-LKUDQCMESA-N 0 0 373.581 7.316 40 30 FKEBRN C=C(C)[C@]1(C)C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000104370308 210061657 /nfs/dbraw/zinc/06/16/57/210061657.db2.gz KDGAGONWGJXDDT-IVZWLZJFSA-N 0 0 354.919 5.804 40 30 FKEBRN C=C(C)[C@@]1(C)C[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000104370312 210061065 /nfs/dbraw/zinc/06/10/65/210061065.db2.gz KDGAGONWGJXDDT-OPRDCNLKSA-N 0 0 354.919 5.804 40 30 FKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O ZINC000104373353 520009399 /nfs/dbraw/zinc/00/93/99/520009399.db2.gz SYTMCDNQPAKFJA-XLNRJJMWSA-N 0 0 363.571 5.111 40 30 FKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O ZINC000104373354 520009558 /nfs/dbraw/zinc/00/95/58/520009558.db2.gz SYTMCDNQPAKFJA-OQKWZONESA-N 0 0 363.571 5.111 40 30 FKEBRN CCCCCCCC/C=N\NC(=S)N/N=C\CCCCCCCC ZINC000104376449 222357082 /nfs/dbraw/zinc/35/70/82/222357082.db2.gz UQCIIMNXRDVICN-HIOQQWDOSA-N 0 0 354.608 5.923 40 30 FKEBRN CCCCCCCC/C=N/NC(=S)N/N=C\CCCCCCCC ZINC000104376452 206001583 /nfs/dbraw/zinc/00/15/83/206001583.db2.gz UQCIIMNXRDVICN-WPDZNWIASA-N 0 0 354.608 5.923 40 30 FKEBRN CCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCC ZINC000104376454 209261998 /nfs/dbraw/zinc/26/19/98/209261998.db2.gz UQCIIMNXRDVICN-PHEFWILJSA-N 0 0 354.608 5.923 40 30 FKEBRN C=CCN(C(=S)Nc1cc2cccnc2c2cccnc12)c1ccccc1 ZINC000104378757 571306841 /nfs/dbraw/zinc/30/68/41/571306841.db2.gz NAQWYLASOQWVAS-UHFFFAOYSA-N 0 0 370.481 5.172 40 30 FKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1cccc(O)c1 ZINC000104380375 520009888 /nfs/dbraw/zinc/00/98/88/520009888.db2.gz OOMLICLTGIVQRR-XLNRJJMWSA-N 0 0 363.571 5.111 40 30 FKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1cccc(O)c1 ZINC000104380381 520010034 /nfs/dbraw/zinc/01/00/34/520010034.db2.gz OOMLICLTGIVQRR-OQKWZONESA-N 0 0 363.571 5.111 40 30 FKEBRN CCCCCCCCCCCCCCCCCCN1CNC(=O)NC1 ZINC000104380776 519993780 /nfs/dbraw/zinc/99/37/80/519993780.db2.gz LGRGOPQVLXIRDQ-UHFFFAOYSA-N 0 0 353.595 5.778 40 30 FKEBRN CCCCCCCCCCCCCCCCCc1cc(=O)[nH]c(=S)[nH]1 ZINC000104382179 519999263 /nfs/dbraw/zinc/99/92/63/519999263.db2.gz LNRYAIAKXZGMBR-UHFFFAOYSA-N 0 0 366.615 6.885 40 30 FKEBRN CCCCCCCCCCCCCCCCCc1cc(=O)[nH]c(=O)[nH]1 ZINC000104382185 519999783 /nfs/dbraw/zinc/99/97/83/519999783.db2.gz JNTJKDGPUWEYCX-UHFFFAOYSA-N 0 0 350.547 6.302 40 30 FKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCCC1 ZINC000104384263 519968399 /nfs/dbraw/zinc/96/83/99/519968399.db2.gz VADPGEGXKQJSBO-KTKRTIGZSA-N 0 0 363.630 7.427 40 30 FKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)N1CCCCCC1 ZINC000104384265 519968805 /nfs/dbraw/zinc/96/88/05/519968805.db2.gz VADPGEGXKQJSBO-MDZDMXLPSA-N 0 0 363.630 7.427 40 30 FKEBRN CCCCCCCCCCCCCCCCCCNC(=O)SCC ZINC000104386667 209261375 /nfs/dbraw/zinc/26/13/75/209261375.db2.gz SYSKNXQEMYEEEE-UHFFFAOYSA-N 0 0 357.648 7.711 40 30 FKEBRN CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)OCCC ZINC000104388537 222357977 /nfs/dbraw/zinc/35/79/77/222357977.db2.gz VQXMBCHWQMSJHU-VQTJNVASSA-N 0 0 358.563 5.143 40 30 FKEBRN CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)OCCC ZINC000104388540 222357757 /nfs/dbraw/zinc/35/77/57/222357757.db2.gz VQXMBCHWQMSJHU-WOJBJXKFSA-N 0 0 358.563 5.143 40 30 FKEBRN CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)OCCC ZINC000104388543 206001505 /nfs/dbraw/zinc/00/15/05/206001505.db2.gz VQXMBCHWQMSJHU-PMACEKPBSA-N 0 0 358.563 5.143 40 30 FKEBRN CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)OCCC ZINC000104388547 222357019 /nfs/dbraw/zinc/35/70/19/222357019.db2.gz VQXMBCHWQMSJHU-UXHICEINSA-N 0 0 358.563 5.143 40 30 FKEBRN CCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC ZINC000104391236 570774142 /nfs/dbraw/zinc/77/41/42/570774142.db2.gz BVIXCTPGBNCESY-UHFFFAOYSA-N 0 0 356.547 5.820 40 30 FKEBRN CCCCCCCCCCOCC(O)COCCCCCCCCCC ZINC000104393369 222358270 /nfs/dbraw/zinc/35/82/70/222358270.db2.gz PYRVOLKVRLTFNA-UHFFFAOYSA-N 0 0 372.634 6.662 40 30 FKEBRN CCCCCCCCCCOCCC(=O)OCCCCCCCCCC ZINC000104394572 222356912 /nfs/dbraw/zinc/35/69/12/222356912.db2.gz DLEARKZRTOOPNN-UHFFFAOYSA-N 0 0 370.618 7.218 40 30 FKEBRN CCCCCCCCNC(=O)Nc1cc2ncccc2c2cccnc12 ZINC000104547587 571310857 /nfs/dbraw/zinc/31/08/57/571310857.db2.gz ODCWWFJNFGGJIO-UHFFFAOYSA-N 0 0 350.466 5.265 40 30 FKEBRN 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CCCCCCCCCCCCC[C@@H]1OC(=O)/C1=C\CCCCC(N)=O ZINC000219812103 568305566 /nfs/dbraw/zinc/30/55/66/568305566.db2.gz RJBBAPPWVJEOMC-IZBXUMLASA-N 0 0 365.558 5.585 40 30 in-vitro FKEBRN CCCCCCCCCCCCC[C@H]1OC(=O)[C@H]1CCCCCC(N)=O ZINC000219812528 570448478 /nfs/dbraw/zinc/44/84/78/570448478.db2.gz DPOLELDVDZDTPT-VQTJNVASSA-N 0 0 367.574 5.665 40 30 FKEBRN CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H]1CCCCCC(N)=O ZINC000219812594 570448494 /nfs/dbraw/zinc/44/84/94/570448494.db2.gz DPOLELDVDZDTPT-PMACEKPBSA-N 0 0 367.574 5.665 40 30 FKEBRN CCCCCCCCCCCCC[C@H]1OC(=O)[C@@H]1CCCCCC(N)=O ZINC000219812662 570873275 /nfs/dbraw/zinc/87/32/75/570873275.db2.gz DPOLELDVDZDTPT-WOJBJXKFSA-N 0 0 367.574 5.665 40 30 FKEBRN CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H]1CCCCCC(N)=O ZINC000219812741 570448540 /nfs/dbraw/zinc/44/85/40/570448540.db2.gz DPOLELDVDZDTPT-UXHICEINSA-N 0 0 367.574 5.665 40 30 FKEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000219813649 571175255 /nfs/dbraw/zinc/17/52/55/571175255.db2.gz 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CCCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000222089035 571311326 /nfs/dbraw/zinc/31/13/26/571311326.db2.gz KRSLQXIHFKOJMX-UHFFFAOYSA-N 0 0 359.897 6.332 40 30 FKEBRN C=CCOc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000222370164 571277934 /nfs/dbraw/zinc/27/79/34/571277934.db2.gz ZFIQRFCKNBMEDW-LAPQFRIASA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000222688250 571202648 /nfs/dbraw/zinc/20/26/48/571202648.db2.gz SHWFRSHOGMBJQD-UHFFFAOYSA-N 0 0 361.894 5.416 40 30 FKEBRN C=CCOc1cccc(NC(=O)CCCSc2ccc(Cl)cc2)c1 ZINC000222688350 208879659 /nfs/dbraw/zinc/87/96/59/208879659.db2.gz HXWPIUMWTCDMJG-UHFFFAOYSA-N 0 0 361.894 5.416 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000222695450 571202695 /nfs/dbraw/zinc/20/26/95/571202695.db2.gz WJNFCKNAHUFEEO-QGZVFWFLSA-N 0 0 353.462 5.089 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c1 ZINC000222695515 571202718 /nfs/dbraw/zinc/20/27/18/571202718.db2.gz WJNFCKNAHUFEEO-KRWDZBQOSA-N 0 0 353.462 5.089 40 30 FKEBRN C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222924133 571240084 /nfs/dbraw/zinc/24/00/84/571240084.db2.gz IOICPMXHRACYJK-OAQYLSRUSA-N 0 0 367.489 5.345 40 30 FKEBRN C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000222924188 208981447 /nfs/dbraw/zinc/98/14/47/208981447.db2.gz IOICPMXHRACYJK-NRFANRHFSA-N 0 0 367.489 5.345 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000222924275 571239481 /nfs/dbraw/zinc/23/94/81/571239481.db2.gz IANKAXVGMVFORK-OAQYLSRUSA-N 0 0 367.489 5.345 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000222924330 571240047 /nfs/dbraw/zinc/24/00/47/571240047.db2.gz IANKAXVGMVFORK-NRFANRHFSA-N 0 0 367.489 5.345 40 30 FKEBRN N#CC1(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000222935946 222757353 /nfs/dbraw/zinc/75/73/53/222757353.db2.gz CKMARMLOUGLDPI-UHFFFAOYSA-N 0 0 352.437 5.012 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222981082 570448514 /nfs/dbraw/zinc/44/85/14/570448514.db2.gz JQQNIKKDXMVORR-INIZCTEOSA-N 0 0 351.515 5.335 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222981154 570448528 /nfs/dbraw/zinc/44/85/28/570448528.db2.gz JQQNIKKDXMVORR-MRXNPFEDSA-N 0 0 351.515 5.335 40 30 FKEBRN C=CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 ZINC000223020741 570449105 /nfs/dbraw/zinc/44/91/05/570449105.db2.gz CNLHAYSXDRQKBT-LJQANCHMSA-N 0 0 359.853 5.009 40 30 FKEBRN C=CCOc1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 ZINC000223020815 570449075 /nfs/dbraw/zinc/44/90/75/570449075.db2.gz CNLHAYSXDRQKBT-IBGZPJMESA-N 0 0 359.853 5.009 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)c1 ZINC000223020895 570448810 /nfs/dbraw/zinc/44/88/10/570448810.db2.gz WSSMOBJXZLTIPU-LJQANCHMSA-N 0 0 359.853 5.009 40 30 FKEBRN C=CCOc1cccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)c1 ZINC000223020959 222762638 /nfs/dbraw/zinc/76/26/38/222762638.db2.gz WSSMOBJXZLTIPU-IBGZPJMESA-N 0 0 359.853 5.009 40 30 FKEBRN C=CCc1cc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)ccc1OC ZINC000223072176 519127329 /nfs/dbraw/zinc/12/73/29/519127329.db2.gz YNZXNCDTFSSJIR-QFIPXVFZSA-N 0 0 363.501 5.184 40 30 FKEBRN C=CCc1cc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)ccc1OC ZINC000223072237 519128041 /nfs/dbraw/zinc/12/80/41/519128041.db2.gz YNZXNCDTFSSJIR-JOCHJYFZSA-N 0 0 363.501 5.184 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223110024 519078424 /nfs/dbraw/zinc/07/84/24/519078424.db2.gz DTXJKLBSPAEMMJ-NRFANRHFSA-N 0 0 365.542 5.725 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 ZINC000223110083 519077320 /nfs/dbraw/zinc/07/73/20/519077320.db2.gz DTXJKLBSPAEMMJ-OAQYLSRUSA-N 0 0 365.542 5.725 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(OC)c(C)c1 ZINC000223185071 519077542 /nfs/dbraw/zinc/07/75/42/519077542.db2.gz HHXPNNYXPPBBQK-SFHVURJKSA-N 0 0 355.503 5.163 40 30 FKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(OC)c(C)c1 ZINC000223185125 519078604 /nfs/dbraw/zinc/07/86/04/519078604.db2.gz HHXPNNYXPPBBQK-GOSISDBHSA-N 0 0 355.503 5.163 40 30 FKEBRN C=CCSc1ccccc1C(=O)Nc1nnc(-c2ccc(C)cc2)s1 ZINC000223316297 222774489 /nfs/dbraw/zinc/77/44/89/222774489.db2.gz RUANKBSGUWDRPA-UHFFFAOYSA-N 0 0 367.499 5.044 40 30 FKEBRN C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223353677 570491326 /nfs/dbraw/zinc/49/13/26/570491326.db2.gz AGIAWAQDANPYIR-KRWDZBQOSA-N 0 0 367.489 5.183 40 30 FKEBRN C=CCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223353737 209187246 /nfs/dbraw/zinc/18/72/46/209187246.db2.gz AGIAWAQDANPYIR-QGZVFWFLSA-N 0 0 367.489 5.183 40 30 FKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)c4ccccc4C3=O)cc21 ZINC000223482692 132279684 /nfs/dbraw/zinc/27/96/84/132279684.db2.gz GOKLDIDAZYWKLW-UHFFFAOYSA-N 0 0 371.480 5.560 40 30 FKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(C(C)C)cc3)cc21 ZINC000223496031 520852880 /nfs/dbraw/zinc/85/28/80/520852880.db2.gz DOTPADTXKPQCOE-WGOQTCKBSA-N 0 0 360.545 6.971 40 30 FKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223496174 520851779 /nfs/dbraw/zinc/85/17/79/520851779.db2.gz OENNMXNFTKKSGL-XYGWBWBKSA-N 0 0 361.533 5.914 40 30 FKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223496267 520851716 /nfs/dbraw/zinc/85/17/16/520851716.db2.gz FGNOUZVTACJVFO-OYKKKHCWSA-N 0 0 352.909 6.501 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc2C(C)=CC1(C)C ZINC000223500218 521730122 /nfs/dbraw/zinc/73/01/22/521730122.db2.gz GFGPVKLRRGPJHL-XYGWBWBKSA-N 0 0 361.533 5.833 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc2C(C)=CC1(C)C ZINC000223500278 521730116 /nfs/dbraw/zinc/73/01/16/521730116.db2.gz OVHVSFSKAPKTAK-OYKKKHCWSA-N 0 0 352.909 6.421 40 30 FKEBRN COc1ccccc1/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C ZINC000223500627 524328125 /nfs/dbraw/zinc/32/81/25/524328125.db2.gz BSEDDHIKUORHBI-MFKUBSTISA-N 0 0 362.517 6.165 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 ZINC000223501220 523471798 /nfs/dbraw/zinc/47/17/98/523471798.db2.gz TWLQDEGLRCDJMM-MYYYXRDXSA-N 0 0 362.517 6.165 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cn1 ZINC000223512577 523473095 /nfs/dbraw/zinc/47/30/95/523473095.db2.gz GTJONWNFKRHCNS-CFRMEGHHSA-N 0 0 363.505 5.560 40 30 FKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 ZINC000223517247 523874928 /nfs/dbraw/zinc/87/49/28/523874928.db2.gz GCORJHGYQRFHKJ-WGOQTCKBSA-N 0 0 360.545 6.718 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(F)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223517984 525592052 /nfs/dbraw/zinc/59/20/52/525592052.db2.gz CFMUVZBUVFCDEY-AFUMVMLFSA-N 0 0 350.481 6.295 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223521424 525592879 /nfs/dbraw/zinc/59/28/79/525592879.db2.gz UMUSNZPAWBEYAP-JVWAILMASA-N 0 0 374.572 7.279 40 30 FKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223521681 525592428 /nfs/dbraw/zinc/59/24/28/525592428.db2.gz OGVVODRPKRGFCG-QFEZKATASA-N 0 0 366.936 6.809 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000223521863 523471586 /nfs/dbraw/zinc/47/15/86/523471586.db2.gz KSXUGJHLWSNEKN-QRVIBDJDSA-N 0 0 354.881 5.731 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cn1 ZINC000223522869 523472574 /nfs/dbraw/zinc/47/25/74/523472574.db2.gz LTRVMGVWVDUNNA-JJFYIABZSA-N 0 0 355.869 5.126 40 30 FKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223523713 520853046 /nfs/dbraw/zinc/85/30/46/520853046.db2.gz XPLZFIYWSFKOPH-OYKKKHCWSA-N 0 0 367.924 5.788 40 30 FKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223523770 520852464 /nfs/dbraw/zinc/85/24/64/520852464.db2.gz HHXHOSLVVDSXMN-FMCGGJTJSA-N 0 0 359.300 6.376 40 30 FKEBRN CCN1c2ccc(C=[NH+][N-]c3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C ZINC000223527138 521730543 /nfs/dbraw/zinc/73/05/43/521730543.db2.gz DKCYNXNBPBRJNN-WXUSHSQQSA-N 0 0 366.465 5.153 40 30 FKEBRN C=CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O ZINC000223539101 518842894 /nfs/dbraw/zinc/84/28/94/518842894.db2.gz WHYBZJKIMWQZPA-HIXWQLQUSA-N 0 0 370.518 5.021 40 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/nfs/dbraw/zinc/47/26/71/523472671.db2.gz OTIKCIJVFWBTGU-YOBACFSGSA-N 0 0 351.494 5.341 40 30 FKEBRN COc1ccc(/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cn1 ZINC000223556197 523473131 /nfs/dbraw/zinc/47/31/31/523473131.db2.gz OTIKCIJVFWBTGU-GEWRUKCFSA-N 0 0 351.494 5.341 40 30 FKEBRN CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223568593 519834272 /nfs/dbraw/zinc/83/42/72/519834272.db2.gz NCROMWIPLJAKOQ-JHKMYFMNSA-N 0 0 362.561 7.061 40 30 FKEBRN CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223568658 519834318 /nfs/dbraw/zinc/83/43/18/519834318.db2.gz NCROMWIPLJAKOQ-DZTFFZQKSA-N 0 0 362.561 7.061 40 30 FKEBRN CC(C)N1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C ZINC000223568884 519699775 /nfs/dbraw/zinc/69/97/75/519699775.db2.gz OLDFISVCIPCPQR-SAHIIKMKSA-N 0 0 363.549 6.004 40 30 FKEBRN CC(C)N1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C ZINC000223568978 519699923 /nfs/dbraw/zinc/69/99/23/519699923.db2.gz XOFVJJPQMNFBPO-SGMWPGOQSA-N 0 0 354.925 6.591 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C ZINC000223572577 521730520 /nfs/dbraw/zinc/73/05/20/521730520.db2.gz VMXAPCYNDGCJAD-HZRSJKMUSA-N 0 0 350.506 5.866 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(OC)nc3)cc2[C@@H](C)CC1(C)C ZINC000223581128 521730507 /nfs/dbraw/zinc/73/05/07/521730507.db2.gz JNIUSBPRSHIOHR-YOBACFSGSA-N 0 0 351.494 5.261 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C ZINC000223586799 521730386 /nfs/dbraw/zinc/73/03/86/521730386.db2.gz TVRLKHFCWSXVQR-SAHIIKMKSA-N 0 0 363.549 5.924 40 30 FKEBRN CCN1c2cc(C)c(/C=N\c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C ZINC000223586853 521729991 /nfs/dbraw/zinc/72/99/91/521729991.db2.gz DVPCTVQTLWBVBJ-SGMWPGOQSA-N 0 0 354.925 6.511 40 30 FKEBRN COc1ccccc1/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C ZINC000223587351 524327840 /nfs/dbraw/zinc/32/78/40/524327840.db2.gz KJAUHBJZAPWCJK-BIKZULFDSA-N 0 0 364.533 6.255 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223591387 525592184 /nfs/dbraw/zinc/59/21/84/525592184.db2.gz USANHWOCKAIYSS-ZZQPOVDQSA-N 0 0 350.506 5.952 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223591446 525591917 /nfs/dbraw/zinc/59/19/17/525591917.db2.gz USANHWOCKAIYSS-PTZPRWATSA-N 0 0 350.506 5.952 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cn1 ZINC000223605611 523472641 /nfs/dbraw/zinc/47/26/41/523472641.db2.gz GRGJAPCHFFKEQJ-GHRPQRKGSA-N 0 0 365.521 5.650 40 30 FKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 ZINC000223612213 523875821 /nfs/dbraw/zinc/87/58/21/523875821.db2.gz PJNKQNJCIVMBFT-JHKMYFMNSA-N 0 0 362.561 6.809 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223613102 525592003 /nfs/dbraw/zinc/59/20/03/525592003.db2.gz MLVJCGSSUBHAPC-YSGZUTGPSA-N 0 0 352.497 6.385 40 30 FKEBRN Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223613161 525592775 /nfs/dbraw/zinc/59/27/75/525592775.db2.gz MLVJCGSSUBHAPC-NFXIUMSZSA-N 0 0 352.497 6.385 40 30 FKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616576 525591834 /nfs/dbraw/zinc/59/18/34/525591834.db2.gz GXFWNTBWOQJAFX-PDESAOGPSA-N 0 0 350.506 5.952 40 30 FKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223616638 525592728 /nfs/dbraw/zinc/59/27/28/525592728.db2.gz GXFWNTBWOQJAFX-SNNLMFDCSA-N 0 0 350.506 5.952 40 30 FKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223618297 525592383 /nfs/dbraw/zinc/59/23/83/525592383.db2.gz ZRMIBCAKROHFBH-MQKZQLNTSA-N 0 0 368.952 6.900 40 30 FKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223618359 525591518 /nfs/dbraw/zinc/59/15/18/525591518.db2.gz ZRMIBCAKROHFBH-YMKHCOABSA-N 0 0 368.952 6.900 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 ZINC000223618612 523473514 /nfs/dbraw/zinc/47/35/14/523473514.db2.gz DAARFMCBZDFQDC-LTOJSDLTSA-N 0 0 356.897 5.821 40 30 FKEBRN COc1ccc(/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cn1 ZINC000223619756 523473377 /nfs/dbraw/zinc/47/33/77/523473377.db2.gz CVBHKVWNHDEUQR-BTXKWLAHSA-N 0 0 357.885 5.216 40 30 FKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223620748 526223941 /nfs/dbraw/zinc/22/39/41/526223941.db2.gz HHKOCIHWMHARHH-CPISYKEBSA-N 0 0 369.940 5.879 40 30 FKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223620817 526224033 /nfs/dbraw/zinc/22/40/33/526224033.db2.gz HHKOCIHWMHARHH-YNNOXIHVSA-N 0 0 369.940 5.879 40 30 FKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223620877 526224027 /nfs/dbraw/zinc/22/40/27/526224027.db2.gz IXBYBHQPDOVMMO-OTTIKCOKSA-N 0 0 361.316 6.466 40 30 FKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223620938 526224212 /nfs/dbraw/zinc/22/42/12/526224212.db2.gz IXBYBHQPDOVMMO-JFVYAULHSA-N 0 0 361.316 6.466 40 30 FKEBRN C=CCSc1ccccc1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223649587 519077802 /nfs/dbraw/zinc/07/78/02/519077802.db2.gz KXNVOCLWSOUSLH-UHFFFAOYSA-N 0 0 369.530 5.071 40 30 FKEBRN N#Cc1c(N)nc(SCc2cccc3ccccc32)nc1C1CCCCC1 ZINC000223663368 571160605 /nfs/dbraw/zinc/16/06/05/571160605.db2.gz YTLJTABZJBGICW-UHFFFAOYSA-N 0 0 374.513 5.424 40 30 FKEBRN C=CCSc1ccccc1C(=O)NCCOc1ccccc1C(C)(C)C ZINC000223720474 519078573 /nfs/dbraw/zinc/07/85/73/519078573.db2.gz DILIPECBBBFJAZ-UHFFFAOYSA-N 0 0 369.530 5.071 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1OC ZINC000224126511 519130307 /nfs/dbraw/zinc/13/03/07/519130307.db2.gz DGPSWAQDYJFBJJ-UHFFFAOYSA-N 0 0 357.409 5.575 40 30 FKEBRN C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224695491 518819227 /nfs/dbraw/zinc/81/92/27/518819227.db2.gz UXRDZLDDXZDUDK-UHFFFAOYSA-N 0 0 363.482 5.043 40 30 FKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000224886535 519078558 /nfs/dbraw/zinc/07/85/58/519078558.db2.gz NYHRRQFEHNRSRJ-UHFFFAOYSA-N 0 0 353.365 5.116 40 30 FKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000224970199 519077722 /nfs/dbraw/zinc/07/77/22/519077722.db2.gz UZUYUTWGDNIGBT-UHFFFAOYSA-N 0 0 352.503 5.207 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C=CCOc1cccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)c1 ZINC000225762037 222866612 /nfs/dbraw/zinc/86/66/12/222866612.db2.gz FSFKNZFIFZWCIA-HXUWFJFHSA-N 0 0 354.519 5.244 40 30 FKEBRN C=CCOc1cccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)c1 ZINC000225762058 222866677 /nfs/dbraw/zinc/86/66/77/222866677.db2.gz FSFKNZFIFZWCIA-FQEVSTJZSA-N 0 0 354.519 5.244 40 30 FKEBRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C#N ZINC000225764133 571338188 /nfs/dbraw/zinc/33/81/88/571338188.db2.gz VZBOGNNREGXPAS-UHFFFAOYSA-N 0 0 368.864 5.061 40 30 FKEBRN Cc1ccc([C@@H](NC(=S)Nc2ccc(CC#N)cc2)C(C)C)c(C)c1 ZINC000225764269 571063215 /nfs/dbraw/zinc/06/32/15/571063215.db2.gz WDQBCAPLKFWMRP-FQEVSTJZSA-N 0 0 351.519 5.053 40 30 FKEBRN Cc1ccc([C@H](NC(=S)Nc2ccc(CC#N)cc2)C(C)C)c(C)c1 ZINC000225764292 571063307 /nfs/dbraw/zinc/06/33/07/571063307.db2.gz WDQBCAPLKFWMRP-HXUWFJFHSA-N 0 0 351.519 5.053 40 30 FKEBRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C#N)c1 ZINC000225764365 571338166 /nfs/dbraw/zinc/33/81/66/571338166.db2.gz NTHFWZSCPXFICD-UHFFFAOYSA-N 0 0 368.864 5.061 40 30 FKEBRN COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C#N ZINC000225765638 571338154 /nfs/dbraw/zinc/33/81/54/571338154.db2.gz FXJYWRSXAPFGFU-UHFFFAOYSA-N 0 0 368.864 5.061 40 30 FKEBRN COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C#N)c1 ZINC000225765844 571338199 /nfs/dbraw/zinc/33/81/99/571338199.db2.gz VRLHRUSVEJSOSL-UHFFFAOYSA-N 0 0 368.864 5.061 40 30 FKEBRN C=CCOc1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1 ZINC000225765972 570609733 /nfs/dbraw/zinc/60/97/33/570609733.db2.gz NBHRQFLIHLPQTJ-OAQYLSRUSA-N 0 0 368.546 5.552 40 30 FKEBRN C=CCOc1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1 ZINC000225765994 222866771 /nfs/dbraw/zinc/86/67/71/222866771.db2.gz NBHRQFLIHLPQTJ-NRFANRHFSA-N 0 0 368.546 5.552 40 30 FKEBRN C=CCOc1cccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 ZINC000225766025 570609774 /nfs/dbraw/zinc/60/97/74/570609774.db2.gz UALMCGFULGIJPX-OAQYLSRUSA-N 0 0 368.546 5.552 40 30 FKEBRN C=CCOc1cccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 ZINC000225766041 206119451 /nfs/dbraw/zinc/11/94/51/206119451.db2.gz UALMCGFULGIJPX-NRFANRHFSA-N 0 0 368.546 5.552 40 30 FKEBRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C#N ZINC000225798679 571338390 /nfs/dbraw/zinc/33/83/90/571338390.db2.gz XIXUAOSCMSOULY-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225798712 571338345 /nfs/dbraw/zinc/33/83/45/571338345.db2.gz MBQARKWGAGZMOO-UHFFFAOYSA-N 0 0 374.525 5.009 40 30 FKEBRN CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 ZINC000225798866 571067358 /nfs/dbraw/zinc/06/73/58/571067358.db2.gz GBUYJVCGADKRTC-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN CC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 ZINC000225798889 222869226 /nfs/dbraw/zinc/86/92/26/222869226.db2.gz ZTXNYRJOLSLEJP-QGZVFWFLSA-N 0 0 374.525 5.151 40 30 FKEBRN CC[C@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 ZINC000225798916 222869430 /nfs/dbraw/zinc/86/94/30/222869430.db2.gz ZTXNYRJOLSLEJP-KRWDZBQOSA-N 0 0 374.525 5.151 40 30 FKEBRN COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225798941 571338343 /nfs/dbraw/zinc/33/83/43/571338343.db2.gz FJKHCDXWYISRSV-UHFFFAOYSA-N 0 0 374.525 5.009 40 30 FKEBRN C=CCOc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1 ZINC000225807449 519040649 /nfs/dbraw/zinc/04/06/49/519040649.db2.gz KZTMRGVNAWUZEY-UHFFFAOYSA-N 0 0 368.546 5.294 40 30 FKEBRN C=CCOc1cccc(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 ZINC000225807472 519058076 /nfs/dbraw/zinc/05/80/76/519058076.db2.gz WDVLPHVRDTTXHO-UHFFFAOYSA-N 0 0 368.546 5.294 40 30 FKEBRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C#N ZINC000225823654 571338508 /nfs/dbraw/zinc/33/85/08/571338508.db2.gz ZERDYQIWYOESAF-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225823676 222872146 /nfs/dbraw/zinc/87/21/46/222872146.db2.gz LEHFGANKSPEZFL-UHFFFAOYSA-N 0 0 374.525 5.151 40 30 FKEBRN CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c(C#N)c1 ZINC000225823818 571338507 /nfs/dbraw/zinc/33/85/07/571338507.db2.gz HQUANBOENCYYDS-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225823847 571338493 /nfs/dbraw/zinc/33/84/93/571338493.db2.gz QNXMCHMELLNNNL-UHFFFAOYSA-N 0 0 374.525 5.151 40 30 FKEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 ZINC000225827362 571338502 /nfs/dbraw/zinc/33/85/02/571338502.db2.gz HIRYOWLUBCGYLA-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 ZINC000225827382 571338460 /nfs/dbraw/zinc/33/84/60/571338460.db2.gz HIRYOWLUBCGYLA-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1C#N ZINC000225827659 570539205 /nfs/dbraw/zinc/53/92/05/570539205.db2.gz OJBVRKRYXCZESX-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)cc1C#N ZINC000225827681 570539536 /nfs/dbraw/zinc/53/95/36/570539536.db2.gz OJBVRKRYXCZESX-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225827713 222872241 /nfs/dbraw/zinc/87/22/41/222872241.db2.gz KKLNJGSNPBULLX-HRAATJIYSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225827736 570539795 /nfs/dbraw/zinc/53/97/95/570539795.db2.gz KKLNJGSNPBULLX-KKSFZXQISA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225827755 206502949 /nfs/dbraw/zinc/50/29/49/206502949.db2.gz KKLNJGSNPBULLX-IIBYNOLFSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225827772 571071324 /nfs/dbraw/zinc/07/13/24/571071324.db2.gz KKLNJGSNPBULLX-IERDGZPVSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C#N)c1 ZINC000225844847 571338658 /nfs/dbraw/zinc/33/86/58/571338658.db2.gz IXAQAXMIZUQKDN-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)cc1C#N ZINC000225845003 571338629 /nfs/dbraw/zinc/33/86/29/571338629.db2.gz ZTHXCARISJDMQC-UHFFFAOYSA-N 0 0 374.525 5.153 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C#N ZINC000225846437 571073789 /nfs/dbraw/zinc/07/37/89/571073789.db2.gz CPFXRWPARNOVLG-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C#N ZINC000225846448 571073819 /nfs/dbraw/zinc/07/38/19/571073819.db2.gz CPFXRWPARNOVLG-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)c(C#N)c1 ZINC000225846724 570548076 /nfs/dbraw/zinc/54/80/76/570548076.db2.gz NFHLDOCFKXTEBH-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)c(C#N)c1 ZINC000225846746 222874136 /nfs/dbraw/zinc/87/41/36/222874136.db2.gz NFHLDOCFKXTEBH-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225846775 571338621 /nfs/dbraw/zinc/33/86/21/571338621.db2.gz UJTMBXCQJCOCAS-HRAATJIYSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225846800 571338645 /nfs/dbraw/zinc/33/86/45/571338645.db2.gz UJTMBXCQJCOCAS-KKSFZXQISA-N 0 0 360.498 5.050 40 30 FKEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225846821 222874172 /nfs/dbraw/zinc/87/41/72/222874172.db2.gz UJTMBXCQJCOCAS-IIBYNOLFSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225846844 571338618 /nfs/dbraw/zinc/33/86/18/571338618.db2.gz UJTMBXCQJCOCAS-IERDGZPVSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 ZINC000225848356 222874145 /nfs/dbraw/zinc/87/41/45/222874145.db2.gz DHOJJKRMFMGIRC-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C#N)c1 ZINC000225848379 570547975 /nfs/dbraw/zinc/54/79/75/570547975.db2.gz DHOJJKRMFMGIRC-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225848408 570548110 /nfs/dbraw/zinc/54/81/10/570548110.db2.gz ZRPMVDYMFKLOKG-OAQYLSRUSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000225848432 570548176 /nfs/dbraw/zinc/54/81/76/570548176.db2.gz ZRPMVDYMFKLOKG-NRFANRHFSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 ZINC000225848462 571338704 /nfs/dbraw/zinc/33/87/04/571338704.db2.gz JPJYNSUBBMRTBP-JOCHJYFZSA-N 0 0 374.525 5.441 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C#N)c1 ZINC000225848486 222874163 /nfs/dbraw/zinc/87/41/63/222874163.db2.gz JPJYNSUBBMRTBP-QFIPXVFZSA-N 0 0 374.525 5.441 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225848509 209840450 /nfs/dbraw/zinc/84/04/50/209840450.db2.gz KWWIVNVQVBUHEU-JOCHJYFZSA-N 0 0 374.525 5.297 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225848532 206503211 /nfs/dbraw/zinc/50/32/11/206503211.db2.gz KWWIVNVQVBUHEU-QFIPXVFZSA-N 0 0 374.525 5.297 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N ZINC000225848636 570548230 /nfs/dbraw/zinc/54/82/30/570548230.db2.gz PBUAIZZTNRGXJD-OAQYLSRUSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1C#N ZINC000225848662 571338686 /nfs/dbraw/zinc/33/86/86/571338686.db2.gz PBUAIZZTNRGXJD-NRFANRHFSA-N 0 0 360.498 5.051 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225848683 571338676 /nfs/dbraw/zinc/33/86/76/571338676.db2.gz RDBCAFIUAHRNJK-OAQYLSRUSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)cc1C#N ZINC000225848702 571338698 /nfs/dbraw/zinc/33/86/98/571338698.db2.gz RDBCAFIUAHRNJK-NRFANRHFSA-N 0 0 360.498 5.050 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1C#N ZINC000225848727 571338690 /nfs/dbraw/zinc/33/86/90/571338690.db2.gz SHUXGODTOKMGGF-JOCHJYFZSA-N 0 0 374.525 5.441 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)cc1C#N ZINC000225848749 571338664 /nfs/dbraw/zinc/33/86/64/571338664.db2.gz SHUXGODTOKMGGF-QFIPXVFZSA-N 0 0 374.525 5.441 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225848767 571338688 /nfs/dbraw/zinc/33/86/88/571338688.db2.gz CMBBWURBDFDKNU-HTAPYJJXSA-N 0 0 374.525 5.440 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N ZINC000225848790 571338697 /nfs/dbraw/zinc/33/86/97/571338697.db2.gz CMBBWURBDFDKNU-JTSKRJEESA-N 0 0 374.525 5.440 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225848812 571338711 /nfs/dbraw/zinc/33/87/11/571338711.db2.gz CMBBWURBDFDKNU-VGOFRKELSA-N 0 0 374.525 5.440 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N ZINC000225848830 571338681 /nfs/dbraw/zinc/33/86/81/571338681.db2.gz CMBBWURBDFDKNU-VGSWGCGISA-N 0 0 374.525 5.440 40 30 FKEBRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225848854 571338714 /nfs/dbraw/zinc/33/87/14/571338714.db2.gz RKVDOIOWWDMYDF-JOCHJYFZSA-N 0 0 374.525 5.297 40 30 FKEBRN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225848871 571338685 /nfs/dbraw/zinc/33/86/85/571338685.db2.gz RKVDOIOWWDMYDF-QFIPXVFZSA-N 0 0 374.525 5.297 40 30 FKEBRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C#N ZINC000225852753 206503243 /nfs/dbraw/zinc/50/32/43/206503243.db2.gz HPZBVNKOCHGVIN-UHFFFAOYSA-N 0 0 372.509 5.195 40 30 FKEBRN CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCCC1 ZINC000225852765 222875187 /nfs/dbraw/zinc/87/51/87/222875187.db2.gz BMDAPIPAZHEIRE-UHFFFAOYSA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)c(C#N)c1 ZINC000225852853 571338743 /nfs/dbraw/zinc/33/87/43/571338743.db2.gz IJHFYAHOUGIGAR-UHFFFAOYSA-N 0 0 372.509 5.195 40 30 FKEBRN CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCCCCC1 ZINC000225852867 571338747 /nfs/dbraw/zinc/33/87/47/571338747.db2.gz KXGOSFWIOWYNFU-KRWDZBQOSA-N 0 0 372.509 5.194 40 30 FKEBRN CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)cc2C#N)CCCCCC1 ZINC000225852890 571338748 /nfs/dbraw/zinc/33/87/48/571338748.db2.gz KXGOSFWIOWYNFU-QGZVFWFLSA-N 0 0 372.509 5.194 40 30 FKEBRN CCCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCCC1 ZINC000225852910 571338734 /nfs/dbraw/zinc/33/87/34/571338734.db2.gz GGCOXCIUKIPRIT-UHFFFAOYSA-N 0 0 372.509 5.051 40 30 FKEBRN N#CCc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 ZINC000225853055 571074479 /nfs/dbraw/zinc/07/44/79/571074479.db2.gz SNQBVTUIIDKXHO-UHFFFAOYSA-N 0 0 369.921 5.162 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C#N ZINC000225854732 571338727 /nfs/dbraw/zinc/33/87/27/571338727.db2.gz HZKZHDOELJREQM-VGOFRKELSA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C#N ZINC000225854757 222875378 /nfs/dbraw/zinc/87/53/78/222875378.db2.gz HZKZHDOELJREQM-VGSWGCGISA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C#N ZINC000225854776 571338741 /nfs/dbraw/zinc/33/87/41/571338741.db2.gz HZKZHDOELJREQM-HTAPYJJXSA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C#N ZINC000225854797 571338764 /nfs/dbraw/zinc/33/87/64/571338764.db2.gz HZKZHDOELJREQM-JTSKRJEESA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225855250 571338771 /nfs/dbraw/zinc/33/87/71/571338771.db2.gz BZSNOBCGOHMDMV-VGOFRKELSA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225855272 571338718 /nfs/dbraw/zinc/33/87/18/571338718.db2.gz BZSNOBCGOHMDMV-VGSWGCGISA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225855289 571338721 /nfs/dbraw/zinc/33/87/21/571338721.db2.gz BZSNOBCGOHMDMV-HTAPYJJXSA-N 0 0 372.509 5.051 40 30 FKEBRN CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225855308 571338746 /nfs/dbraw/zinc/33/87/46/571338746.db2.gz BZSNOBCGOHMDMV-JTSKRJEESA-N 0 0 372.509 5.051 40 30 FKEBRN CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 ZINC000225855332 206503303 /nfs/dbraw/zinc/50/33/03/206503303.db2.gz MRDFUYCKUFRYGT-JLHGSKIFSA-N 0 0 372.509 5.050 40 30 FKEBRN CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2C#N)CCC[C@@H](C)C1 ZINC000225855351 571338787 /nfs/dbraw/zinc/33/87/87/571338787.db2.gz MRDFUYCKUFRYGT-HYFFOGBASA-N 0 0 372.509 5.050 40 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N#Cc1cc(N)c(Cc2ccc(Cl)cc2)n1Cc1cccc2ccccc21 ZINC000225857175 571338801 /nfs/dbraw/zinc/33/88/01/571338801.db2.gz LOFJNAMWZJFQRI-UHFFFAOYSA-N 0 0 371.871 5.388 40 30 FKEBRN C=CCOc1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1 ZINC000225867980 209365834 /nfs/dbraw/zinc/36/58/34/209365834.db2.gz PWEIXDPAROQVMH-UHFFFAOYSA-N 0 0 352.503 5.007 40 30 FKEBRN C=CCOc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1 ZINC000225868000 206119951 /nfs/dbraw/zinc/11/99/51/206119951.db2.gz GTEGDATWKBYCRT-UHFFFAOYSA-N 0 0 366.530 5.316 40 30 FKEBRN C=CCOc1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1 ZINC000225868018 570610416 /nfs/dbraw/zinc/61/04/16/570610416.db2.gz MBGOPGUCDLNWIU-UHFFFAOYSA-N 0 0 366.530 5.316 40 30 FKEBRN C=CCOc1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1 ZINC000225868039 570609768 /nfs/dbraw/zinc/60/97/68/570609768.db2.gz BQHZVXMJWJCNPO-UHFFFAOYSA-N 0 0 366.530 5.316 40 30 FKEBRN C=CCOc1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1 ZINC000225868293 222877655 /nfs/dbraw/zinc/87/76/55/222877655.db2.gz FALJNKAEXWSGSX-UHFFFAOYSA-N 0 0 358.532 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ZINC000225882003 571338885 /nfs/dbraw/zinc/33/88/85/571338885.db2.gz FTNANWKGUDMJCM-UHFFFAOYSA-N 0 0 373.843 5.589 40 30 FKEBRN N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccccc1Cl ZINC000225882429 570799731 /nfs/dbraw/zinc/79/97/31/570799731.db2.gz LWMMUJBKNMEKGK-UHFFFAOYSA-N 0 0 358.228 5.089 40 30 FKEBRN N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 ZINC000225882454 570799755 /nfs/dbraw/zinc/79/97/55/570799755.db2.gz OSPLSSIBAWVCAX-UHFFFAOYSA-N 0 0 358.228 5.089 40 30 FKEBRN N#Cc1cc(N)c(Oc2ccc(Cl)cc2)n1Cc1cccc2ccccc21 ZINC000225882546 571338901 /nfs/dbraw/zinc/33/89/01/571338901.db2.gz UZXONHZLDPHPSM-UHFFFAOYSA-N 0 0 373.843 5.589 40 30 FKEBRN N#Cc1cc(N)c(Oc2ccc(F)cc2)n1Cc1cccc2ccccc21 ZINC000225883032 570799722 /nfs/dbraw/zinc/79/97/22/570799722.db2.gz ZAFLKNUWUFTQHJ-UHFFFAOYSA-N 0 0 357.388 5.075 40 30 FKEBRN Cc1ccc(C)c(Oc2c(N)cc(C#N)n2Cc2ccccc2Cl)c1 ZINC000225885261 570803562 /nfs/dbraw/zinc/80/35/62/570803562.db2.gz FIAXFHNUOVUWCO-UHFFFAOYSA-N 0 0 351.837 5.053 40 30 FKEBRN 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/nfs/dbraw/zinc/94/54/19/570945419.db2.gz SUHGDDBHZFSFLL-BUVRLJJBSA-N 0 0 361.441 5.864 40 30 FKEBRN COc1cc(C)c(/C=N/c2ccc(Br)c(Cl)c2)cc1OC ZINC000408549680 570945623 /nfs/dbraw/zinc/94/56/23/570945623.db2.gz WUNNYXHRWMYKSU-DJKKODMXSA-N 0 0 368.658 5.179 40 30 FKEBRN Ic1ccccc1/C=N/c1cccc2ccccc21 ZINC000408549864 570946168 /nfs/dbraw/zinc/94/61/68/570946168.db2.gz ALLPMRSNXVNTSM-XDHOZWIPSA-N 0 0 357.194 5.195 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550087 570946153 /nfs/dbraw/zinc/94/61/53/570946153.db2.gz DMTGTRSGNRNAEW-HCZVKUGISA-N 0 0 363.242 5.555 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550089 570946141 /nfs/dbraw/zinc/94/61/41/570946141.db2.gz DMTGTRSGNRNAEW-KZKLBEMASA-N 0 0 363.242 5.555 40 30 FKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1I ZINC000408550523 570544785 /nfs/dbraw/zinc/54/47/85/570544785.db2.gz HOJIZGCCFIYFHD-RQZCQDPDSA-N 0 0 355.606 5.004 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2I)cc1Cl ZINC000408550526 570544708 /nfs/dbraw/zinc/54/47/08/570544708.db2.gz HRLHFDRHAJMYJH-RQZCQDPDSA-N 0 0 355.606 5.004 40 30 FKEBRN CC(C)(C)c1ccc(/N=C\c2ccccc2I)cc1 ZINC000408550563 570545293 /nfs/dbraw/zinc/54/52/93/570545293.db2.gz HZSFTXYXTNCUOB-UNOMPAQXSA-N 0 0 363.242 5.339 40 30 FKEBRN CCCCc1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550752 570541815 /nfs/dbraw/zinc/54/18/15/570541815.db2.gz JOZOGQFKZGKVHU-CPNJWEJPSA-N 0 0 363.242 5.384 40 30 FKEBRN Ic1ccccc1/C=N\c1ccc2ccccc2c1 ZINC000408552014 570946698 /nfs/dbraw/zinc/94/66/98/570946698.db2.gz RGYQPZWSCFUOKO-UNOMPAQXSA-N 0 0 357.194 5.195 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1I ZINC000408553134 570946800 /nfs/dbraw/zinc/94/68/00/570946800.db2.gz XUQBSMHTGJZKJW-RQZCQDPDSA-N 0 0 355.606 5.004 40 30 FKEBRN C#CCn1cc(CNc2ccc(Br)c(Cl)c2)c2ccccc21 ZINC000408557557 263470558 /nfs/dbraw/zinc/47/05/58/263470558.db2.gz OQKAFYFTKDLZMF-UHFFFAOYSA-N 0 0 373.681 5.303 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408557883 570947597 /nfs/dbraw/zinc/94/75/97/570947597.db2.gz PGUVMBMLTYYHFO-UHFFFAOYSA-N 0 0 353.205 5.079 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3)cc2)C1 ZINC000408562948 570555613 /nfs/dbraw/zinc/55/56/13/570555613.db2.gz GXFCKVRJNLSTLI-QZZNQRLBSA-N 0 0 363.501 6.580 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Oc3ccccc3)cc2)C1 ZINC000408562954 570948575 /nfs/dbraw/zinc/94/85/75/570948575.db2.gz GXFCKVRJNLSTLI-ZELAZJAISA-N 0 0 363.501 6.580 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(C)cc2Br)C1 ZINC000408563086 570555738 /nfs/dbraw/zinc/55/57/38/570555738.db2.gz IHEDUICHPYAZAH-OKFGHLOFSA-N 0 0 364.327 5.859 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(C)cc2Br)C1 ZINC000408563087 570555663 /nfs/dbraw/zinc/55/56/63/570555663.db2.gz IHEDUICHPYAZAH-ZQHYZAEZSA-N 0 0 364.327 5.859 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2Oc2ccccc2)C1 ZINC000408563260 570555742 /nfs/dbraw/zinc/55/57/42/570555742.db2.gz KJBUAMSWUGGJCA-QZZNQRLBSA-N 0 0 363.501 6.580 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2Oc2ccccc2)C1 ZINC000408563262 570555599 /nfs/dbraw/zinc/55/55/99/570555599.db2.gz KJBUAMSWUGGJCA-ZELAZJAISA-N 0 0 363.501 6.580 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C1 ZINC000408563359 570948769 /nfs/dbraw/zinc/94/87/69/570948769.db2.gz LJQQQQNNLNRZHM-QZZNQRLBSA-N 0 0 362.517 6.531 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Nc3ccccc3)cc2)C1 ZINC000408563368 570948895 /nfs/dbraw/zinc/94/88/95/570948895.db2.gz LJQQQQNNLNRZHM-ZELAZJAISA-N 0 0 362.517 6.531 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Br)cc2F)C1 ZINC000408563582 570948908 /nfs/dbraw/zinc/94/89/08/570948908.db2.gz OKEPSEAAYQPECK-XZHRJIJLSA-N 0 0 368.290 5.689 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Br)cc2F)C1 ZINC000408563583 570948884 /nfs/dbraw/zinc/94/88/84/570948884.db2.gz OKEPSEAAYQPECK-YLSINNKHSA-N 0 0 368.290 5.689 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(Br)c2)C1 ZINC000408563980 570557878 /nfs/dbraw/zinc/55/78/78/570557878.db2.gz TZDJYLMMUBIUSR-FNDVETGQSA-N 0 0 350.300 5.550 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(Br)c2)C1 ZINC000408563982 570557754 /nfs/dbraw/zinc/55/77/54/570557754.db2.gz TZDJYLMMUBIUSR-XTZCOPOCSA-N 0 0 350.300 5.550 40 30 FKEBRN CCCCCOc1ccc(NC=C2C[C@@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408564021 570557843 /nfs/dbraw/zinc/55/78/43/570557843.db2.gz UQWIIUKONSCSBL-QZZNQRLBSA-N 0 0 357.538 6.357 40 30 FKEBRN CCCCCOc1ccc(NC=C2C[C@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408564022 263472241 /nfs/dbraw/zinc/47/22/41/263472241.db2.gz UQWIIUKONSCSBL-ZELAZJAISA-N 0 0 357.538 6.357 40 30 FKEBRN C=CCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000408564197 570948138 /nfs/dbraw/zinc/94/81/38/570948138.db2.gz SPPVKZGCGZRDEU-PTGBLXJZSA-N 0 0 355.437 5.431 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Br)c(C)c2)C1 ZINC000408564251 263472239 /nfs/dbraw/zinc/47/22/39/263472239.db2.gz XJDJSAKLKHSPTG-OKFGHLOFSA-N 0 0 364.327 5.859 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Br)c(C)c2)C1 ZINC000408564252 570948075 /nfs/dbraw/zinc/94/80/75/570948075.db2.gz XJDJSAKLKHSPTG-ZQHYZAEZSA-N 0 0 364.327 5.859 40 30 FKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Br)cc2)C1 ZINC000408564260 263472636 /nfs/dbraw/zinc/47/26/36/263472636.db2.gz XNJACTXJZLWJIA-FNDVETGQSA-N 0 0 350.300 5.550 40 30 FKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Br)cc2)C1 ZINC000408564262 570558456 /nfs/dbraw/zinc/55/84/56/570558456.db2.gz XNJACTXJZLWJIA-XTZCOPOCSA-N 0 0 350.300 5.550 40 30 FKEBRN N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCC2 ZINC000408571700 570948729 /nfs/dbraw/zinc/94/87/29/570948729.db2.gz CTQRWZZBPHOOOG-ZRDIBKRKSA-N 0 0 360.438 5.020 40 30 FKEBRN C=CCOc1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1 ZINC000408573327 263474299 /nfs/dbraw/zinc/47/42/99/263474299.db2.gz BHEDMSOSEUDTIN-HAVVHWLPSA-N 0 0 355.437 5.431 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000408585119 570952256 /nfs/dbraw/zinc/95/22/56/570952256.db2.gz AKSUDBURGCOXRA-UHFFFAOYSA-N 0 0 353.506 6.295 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000408585473 570952198 /nfs/dbraw/zinc/95/21/98/570952198.db2.gz FLKAJEWJHBMMIS-UHFFFAOYSA-N 0 0 373.924 6.640 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000408585668 570951999 /nfs/dbraw/zinc/95/19/99/570951999.db2.gz GYFQDYDIMUAAHE-UHFFFAOYSA-N 0 0 373.924 6.640 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000408585728 570952120 /nfs/dbraw/zinc/95/21/20/570952120.db2.gz HRVHVIWXXLPECX-UHFFFAOYSA-N 0 0 353.506 6.295 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408586033 570565428 /nfs/dbraw/zinc/56/54/28/570565428.db2.gz ASIFTXVMEOIOGO-WSDLNYQXSA-N 0 0 358.272 5.847 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1cccc(Cl)c1 ZINC000408586130 570952222 /nfs/dbraw/zinc/95/22/22/570952222.db2.gz BJNPECLOXAHHOT-FOKLQQMPSA-N 0 0 351.837 5.580 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1 ZINC000408586243 570951992 /nfs/dbraw/zinc/95/19/92/570951992.db2.gz MDIAENXNNVEKLI-UHFFFAOYSA-N 0 0 353.506 6.241 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408586260 263475836 /nfs/dbraw/zinc/47/58/36/263475836.db2.gz MISBWEOIXDRJIT-UHFFFAOYSA-N 0 0 370.449 5.586 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000408586280 263475998 /nfs/dbraw/zinc/47/59/98/263475998.db2.gz MMTMHLULNFUXJS-UHFFFAOYSA-N 0 0 355.478 5.687 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1 ZINC000408586599 570566293 /nfs/dbraw/zinc/56/62/93/570566293.db2.gz OCNJVQADMLYWEX-UHFFFAOYSA-N 0 0 355.478 5.687 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 ZINC000408586687 570952040 /nfs/dbraw/zinc/95/20/40/570952040.db2.gz OVIGZULGNJDOAF-UHFFFAOYSA-N 0 0 368.473 5.466 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1cc(Cl)ccc1C ZINC000408586958 570952629 /nfs/dbraw/zinc/95/26/29/570952629.db2.gz DGNGXKUAILBLMX-BHGWPJFGSA-N 0 0 365.864 5.888 40 30 FKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/c2oc(C)c(C)c2C#N)o1 ZINC000408587027 570952529 /nfs/dbraw/zinc/95/25/29/570952529.db2.gz DPEFAZDYLANEEK-WYMPLXKRSA-N 0 0 370.412 5.273 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000408587079 570952425 /nfs/dbraw/zinc/95/24/25/570952425.db2.gz PVVMHYDUAODHBB-UHFFFAOYSA-N 0 0 370.449 5.586 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000408587108 570952744 /nfs/dbraw/zinc/95/27/44/570952744.db2.gz QGVVKGFUQZEHRW-UHFFFAOYSA-N 0 0 359.897 6.332 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1 ZINC000408587162 570952521 /nfs/dbraw/zinc/95/25/21/570952521.db2.gz RKGKOXXYJBAYHL-UHFFFAOYSA-N 0 0 353.506 6.295 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000408587177 263475749 /nfs/dbraw/zinc/47/57/49/263475749.db2.gz RSUKEFHSDXHZHH-UHFFFAOYSA-N 0 0 353.506 6.295 40 30 FKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000408588011 570952512 /nfs/dbraw/zinc/95/25/12/570952512.db2.gz AYAGDFYMHAYUGI-OEAKJJBVSA-N 0 0 356.381 5.452 40 30 FKEBRN Cc1cc(C=NNc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Cl ZINC000408588236 570952402 /nfs/dbraw/zinc/95/24/02/570952402.db2.gz ILURVZGTYOLMPG-WSDLNYQXSA-N 0 0 363.852 5.070 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000408588504 570566188 /nfs/dbraw/zinc/56/61/88/570566188.db2.gz WQMOXSRSHFWLTQ-UHFFFAOYSA-N 0 0 359.897 6.332 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccccc1Cl ZINC000408588872 263476695 /nfs/dbraw/zinc/47/66/95/263476695.db2.gz KHTBVBFFFRAGIW-FOKLQQMPSA-N 0 0 351.837 5.580 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000408589087 263476749 /nfs/dbraw/zinc/47/67/49/263476749.db2.gz YMFJJIFJZFLWRV-UHFFFAOYSA-N 0 0 373.924 6.640 40 30 FKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2CC)cc1 ZINC000408589129 570953227 /nfs/dbraw/zinc/95/32/27/570953227.db2.gz YWLJUVMSZLTPEM-UHFFFAOYSA-N 0 0 353.506 6.241 40 30 FKEBRN Cc1c(C=NNc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408589538 570954346 /nfs/dbraw/zinc/95/43/46/570954346.db2.gz LSBSLKQBMGHRFD-MFKUBSTISA-N 0 0 357.432 5.583 40 30 FKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000408589583 263477102 /nfs/dbraw/zinc/47/71/02/263477102.db2.gz DWIJTDTUWSAEJG-RGVLZGJSSA-N 0 0 356.765 5.059 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cc(C)cc(C)c1 ZINC000408589640 570954403 /nfs/dbraw/zinc/95/44/03/570954403.db2.gz FFFYBYFBUGEHNS-AFUMVMLFSA-N 0 0 357.457 5.133 40 30 FKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)o1 ZINC000408589729 263476561 /nfs/dbraw/zinc/47/65/61/263476561.db2.gz FTEABDASCDARQZ-SRZZPIQSSA-N 0 0 370.792 5.367 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccc1Cl ZINC000408589731 570954471 /nfs/dbraw/zinc/95/44/71/570954471.db2.gz FUIVGBXEDJZZGH-ZMOGYAJESA-N 0 0 363.848 5.170 40 30 FKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000408590158 570954373 /nfs/dbraw/zinc/95/43/73/570954373.db2.gz GJBOHZDYEJBHIR-RGVLZGJSSA-N 0 0 356.765 5.059 40 30 FKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/OCc2ccccc2C#N)o1 ZINC000408590255 570568010 /nfs/dbraw/zinc/56/80/10/570568010.db2.gz GYLWESUDWBOGAB-FSJBWODESA-N 0 0 350.805 5.331 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408590678 570567336 /nfs/dbraw/zinc/56/73/36/570567336.db2.gz QDYMGBFGKMOGCQ-BHGWPJFGSA-N 0 0 365.864 5.888 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1cccc2ccccc21 ZINC000408590783 263476725 /nfs/dbraw/zinc/47/67/25/263476725.db2.gz QKVDBWXILLPVHG-VULFUBBASA-N 0 0 367.452 6.079 40 30 FKEBRN COc1ccc(Cl)cc1-n1c(C)cc(C=NNc2ccccc2)c1C ZINC000408590789 263476741 /nfs/dbraw/zinc/47/67/41/263476741.db2.gz QLVGOXAQKGDNID-LPYMAVHISA-N 0 0 353.853 5.202 40 30 FKEBRN Cc1cc(/C=N\OCc2ccccc2C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000408590802 570954330 /nfs/dbraw/zinc/95/43/30/570954330.db2.gz HZEPXIOVPDVIKD-CFRMEGHHSA-N 0 0 363.848 5.170 40 30 FKEBRN N#Cc1ccccc1CO/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000408590822 570954504 /nfs/dbraw/zinc/95/45/04/570954504.db2.gz IDDFXJXGOLRGBS-CVKSISIWSA-N 0 0 365.436 5.112 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408590897 570954434 /nfs/dbraw/zinc/95/44/34/570954434.db2.gz RHRMAURIQMCBNX-WSDLNYQXSA-N 0 0 358.272 5.847 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccc(C)c1C ZINC000408591165 570954619 /nfs/dbraw/zinc/95/46/19/570954619.db2.gz IUBCHGLSCKFPCH-AFUMVMLFSA-N 0 0 357.457 5.133 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C)c(C)c1 ZINC000408591173 570954849 /nfs/dbraw/zinc/95/48/49/570954849.db2.gz IUOFPRIOQXZAMS-AFUMVMLFSA-N 0 0 357.457 5.133 40 30 FKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(Cl)cc1 ZINC000408591450 570953200 /nfs/dbraw/zinc/95/32/00/570953200.db2.gz TVXALCCHINZBHC-FOKLQQMPSA-N 0 0 351.837 5.580 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/OCc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408591765 570953799 /nfs/dbraw/zinc/95/37/99/570953799.db2.gz KHFCOACVPBYOGP-UDWIEESQSA-N 0 0 368.414 5.198 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C)cc1C ZINC000408592553 570953779 /nfs/dbraw/zinc/95/37/79/570953779.db2.gz MNHVLYRNIANVKW-AFUMVMLFSA-N 0 0 357.457 5.133 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/OCc3ccccc3C#N)c2C)cc1 ZINC000408593374 263477635 /nfs/dbraw/zinc/47/76/35/263477635.db2.gz PKYTVOWOXUMPHQ-MFKUBSTISA-N 0 0 357.457 5.079 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1c(C)cc(C)cc1C ZINC000408593532 570954794 /nfs/dbraw/zinc/95/47/94/570954794.db2.gz ARMSANVESALAOQ-VULFUBBASA-N 0 0 371.484 5.442 40 30 FKEBRN N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408593568 570575136 /nfs/dbraw/zinc/57/51/36/570575136.db2.gz QFZRPGVFJICPJT-KSEXSDGBSA-N 0 0 371.223 5.676 40 30 FKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Sc3ccccc3)cc2)c1 ZINC000408594095 570954731 /nfs/dbraw/zinc/95/47/31/570954731.db2.gz SDAPBTRFMZKQOP-KGENOOAVSA-N 0 0 364.426 5.297 40 30 FKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000408594620 570955305 /nfs/dbraw/zinc/95/53/05/570955305.db2.gz IUNYTOIDUPVKCC-BRJLIKDPSA-N 0 0 370.330 5.388 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408594678 570575613 /nfs/dbraw/zinc/57/56/13/570575613.db2.gz UURMPICJJDHEMG-CVKSISIWSA-N 0 0 371.484 5.640 40 30 FKEBRN O=[N+]([O-])c1cccc(CO/N=C\c2ccccc2Sc2ccccc2)c1 ZINC000408594707 570955096 /nfs/dbraw/zinc/95/50/96/570955096.db2.gz VCDQZXCZJFPSMY-STZFKDTASA-N 0 0 364.426 5.297 40 30 FKEBRN CC[C@H](C)n1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000408595008 570955310 /nfs/dbraw/zinc/95/53/10/570955310.db2.gz VHZSOIOHEJXVCE-NGZBARDMSA-N 0 0 351.406 5.071 40 30 FKEBRN CC[C@@H](C)n1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000408595010 570955161 /nfs/dbraw/zinc/95/51/61/570955161.db2.gz VHZSOIOHEJXVCE-VRCTWVPOSA-N 0 0 351.406 5.071 40 30 FKEBRN N#Cc1ccccc1CO/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408595223 570955357 /nfs/dbraw/zinc/95/53/57/570955357.db2.gz WASTWSVBXJKHCQ-KSEXSDGBSA-N 0 0 371.223 5.676 40 30 FKEBRN N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000408595772 570955021 /nfs/dbraw/zinc/95/50/21/570955021.db2.gz NYJFJDKMMYBXPE-WSDLNYQXSA-N 0 0 368.845 5.507 40 30 FKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1c(C)cccc1C ZINC000408595958 570955189 /nfs/dbraw/zinc/95/51/89/570955189.db2.gz YEBTWLJRCIOCQW-AFUMVMLFSA-N 0 0 357.457 5.133 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/OCc3ccccc3C#N)cc2)cc1 ZINC000408596328 570576402 /nfs/dbraw/zinc/57/64/02/570576402.db2.gz RNWRVKSLYJEXQE-BUVRLJJBSA-N 0 0 358.466 5.569 40 30 FKEBRN N#Cc1ccccc1CO/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408596405 570576361 /nfs/dbraw/zinc/57/63/61/570576361.db2.gz YWXIWOMHATVWFO-KSEXSDGBSA-N 0 0 371.223 5.676 40 30 FKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408596507 570955645 /nfs/dbraw/zinc/95/56/45/570955645.db2.gz ZTSCKMZOVRZOAX-FOKLQQMPSA-N 0 0 371.223 5.676 40 30 FKEBRN CCOC(=O)c1c(/N=C\c2ccccc2OC(C)C)sc2c1CCCC2 ZINC000408600502 570956541 /nfs/dbraw/zinc/95/65/41/570956541.db2.gz BXCJTVMDEJCGDO-XKZIYDEJSA-N 0 0 371.502 5.341 40 30 FKEBRN CC(C)Oc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408600921 570579040 /nfs/dbraw/zinc/57/90/40/570579040.db2.gz HGICGFNLSCAVSD-BOPFTXTBSA-N 0 0 372.877 5.019 40 30 FKEBRN CC[C@@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 ZINC000408601153 570957459 /nfs/dbraw/zinc/95/74/59/570957459.db2.gz IVEJDVFLMYIIJS-CIKLGQITSA-N 0 0 365.502 5.245 40 30 FKEBRN CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 ZINC000408601156 570957366 /nfs/dbraw/zinc/95/73/66/570957366.db2.gz IVEJDVFLMYIIJS-LTOJSDLTSA-N 0 0 365.502 5.245 40 30 FKEBRN Fc1cccc(Cl)c1COc1ccc(C=NNc2ccccc2)cc1 ZINC000408601975 570957448 /nfs/dbraw/zinc/95/74/48/570957448.db2.gz MOVARBVZHMSTBN-QRVIBDJDSA-N 0 0 354.812 5.504 40 30 FKEBRN CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)C1CCN2CC1 ZINC000408603067 570957409 /nfs/dbraw/zinc/95/74/09/570957409.db2.gz PYJKDMJBUSZPJS-FMCGGJTJSA-N 0 0 365.502 5.103 40 30 FKEBRN C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000408603100 570957424 /nfs/dbraw/zinc/95/74/24/570957424.db2.gz ATGSPPLEICDGRF-UHFFFAOYSA-N 0 0 368.235 5.155 40 30 FKEBRN Fc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)c(F)c1 ZINC000408603401 570957530 /nfs/dbraw/zinc/95/75/30/570957530.db2.gz QNXIUXADJPVSTF-UFFVCSGVSA-N 0 0 355.369 5.281 40 30 FKEBRN CCCOc1ccccc1/C=N\c1sc2c(c1C(=O)OCC)CCCC2 ZINC000408603459 570579985 /nfs/dbraw/zinc/57/99/85/570579985.db2.gz QYSFIYJEVYTJTN-HMAPJEAMSA-N 0 0 371.502 5.343 40 30 FKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)C2CCN3CC2)cc1 ZINC000408603477 570957539 /nfs/dbraw/zinc/95/75/39/570957539.db2.gz RCPIQXDLEAFPSP-FMCGGJTJSA-N 0 0 365.502 5.103 40 30 FKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)cc1 ZINC000408603495 570957353 /nfs/dbraw/zinc/95/73/53/570957353.db2.gz RIYLJQZMPJBFMA-OEAKJJBVSA-N 0 0 365.502 5.247 40 30 FKEBRN CCCOc1ccccc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408603537 263480113 /nfs/dbraw/zinc/48/01/13/263480113.db2.gz RPPKUVPILXDQHW-ATVHPVEESA-N 0 0 372.877 5.020 40 30 FKEBRN C=CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000408603880 570580263 /nfs/dbraw/zinc/58/02/63/570580263.db2.gz BXNZSIMLDLVBDJ-UHFFFAOYSA-N 0 0 370.649 5.419 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OC ZINC000408604031 570580506 /nfs/dbraw/zinc/58/05/06/570580506.db2.gz CUYLXVZLWXFJPD-UHFFFAOYSA-N 0 0 356.224 5.318 40 30 FKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl ZINC000408604815 263479852 /nfs/dbraw/zinc/47/98/52/263479852.db2.gz FHOKXSZGQYCGTJ-UHFFFAOYSA-N 0 0 358.268 6.324 40 30 FKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000408604894 570581290 /nfs/dbraw/zinc/58/12/90/570581290.db2.gz FRFHETPWXRSFDF-UHFFFAOYSA-N 0 0 370.663 5.280 40 30 FKEBRN C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000408605019 570958058 /nfs/dbraw/zinc/95/80/58/570958058.db2.gz GBGUWELSLFATGP-UHFFFAOYSA-N 0 0 350.245 5.016 40 30 FKEBRN C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000408605591 570578102 /nfs/dbraw/zinc/57/81/02/570578102.db2.gz GCSZYQJYCSEWLI-UHFFFAOYSA-N 0 0 352.261 5.569 40 30 FKEBRN C#CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl ZINC000408605950 263479799 /nfs/dbraw/zinc/47/97/99/263479799.db2.gz HTNBUFXHQRCFGU-UHFFFAOYSA-N 0 0 358.627 5.410 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000408606514 570957916 /nfs/dbraw/zinc/95/79/16/570957916.db2.gz IILQLCBDQMIDNQ-UHFFFAOYSA-N 0 0 353.205 5.079 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000408607358 263481333 /nfs/dbraw/zinc/48/13/33/263481333.db2.gz LFSGVKKKVPKERB-UHFFFAOYSA-N 0 0 372.679 5.832 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000408608043 570957851 /nfs/dbraw/zinc/95/78/51/570957851.db2.gz MFGSPFCJMAIDOA-UHFFFAOYSA-N 0 0 370.251 5.708 40 30 FKEBRN C#CCOc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl ZINC000408609106 570582320 /nfs/dbraw/zinc/58/23/20/570582320.db2.gz NZSHIIITXIAROP-UHFFFAOYSA-N 0 0 356.252 5.771 40 30 FKEBRN C#CCOc1ccc(CNc2ccc(Br)cc2C)cc1Cl ZINC000408610096 570956474 /nfs/dbraw/zinc/95/64/74/570956474.db2.gz NPZINLCCBAJGDY-UHFFFAOYSA-N 0 0 364.670 5.035 40 30 FKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C ZINC000408613505 570957569 /nfs/dbraw/zinc/95/75/69/570957569.db2.gz UUDBKEXLVQTRER-UHFFFAOYSA-N 0 0 366.686 5.588 40 30 FKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000408613577 570582609 /nfs/dbraw/zinc/58/26/09/570582609.db2.gz YHBANXBQILDNJU-UHFFFAOYSA-N 0 0 370.649 5.419 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc(F)c(Cl)c2)cc1Cl ZINC000408613733 263482437 /nfs/dbraw/zinc/48/24/37/263482437.db2.gz ZUTTWISTMCNNQY-UHFFFAOYSA-N 0 0 360.643 5.963 40 30 FKEBRN C#CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1C ZINC000408613889 263481661 /nfs/dbraw/zinc/48/16/61/263481661.db2.gz WWDZTLDYTLSPKF-UHFFFAOYSA-N 0 0 364.670 5.035 40 30 FKEBRN O=C(/C=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1 ZINC000408617278 570959747 /nfs/dbraw/zinc/95/97/47/570959747.db2.gz ABQZRJUGFKLXNI-CCEZHUSRSA-N 0 0 371.867 6.239 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)c1 ZINC000408617309 570585802 /nfs/dbraw/zinc/58/58/02/570585802.db2.gz ADLFETBEDSXZQM-BUHFOSPRSA-N 0 0 373.452 5.167 40 30 FKEBRN O=C(/C=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 ZINC000408617661 570959587 /nfs/dbraw/zinc/95/95/87/570959587.db2.gz BAGOXHRZYUOAKJ-NTCAYCPXSA-N 0 0 371.867 6.239 40 30 FKEBRN O=C(/C=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408618526 570583075 /nfs/dbraw/zinc/58/30/75/570583075.db2.gz DEHFYBRXHHIKCW-NTCAYCPXSA-N 0 0 359.381 5.070 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 ZINC000408619112 570960007 /nfs/dbraw/zinc/96/00/07/570960007.db2.gz GBKSZVHFHXPKQS-NTCAYCPXSA-N 0 0 373.452 5.167 40 30 FKEBRN N#Cc1ccccc1Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 ZINC000408619114 570959968 /nfs/dbraw/zinc/95/99/68/570959968.db2.gz GCJRILSCYNSLPO-CCEZHUSRSA-N 0 0 362.432 5.457 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408619123 570960070 /nfs/dbraw/zinc/96/00/70/570960070.db2.gz GDOOPMVRCRZMAW-ZRDIBKRKSA-N 0 0 360.413 5.207 40 30 FKEBRN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(C#N)cc3F)ccc2o1 ZINC000408619554 570959951 /nfs/dbraw/zinc/95/99/51/570959951.db2.gz CTKRBRWSGHDKKP-UHFFFAOYSA-N 0 0 371.371 5.066 40 30 FKEBRN O=C(/C=C/c1cccc(OCc2cccc3ccccc32)c1)c1ccccc1 ZINC000408619745 570586134 /nfs/dbraw/zinc/58/61/34/570586134.db2.gz HDVNDLGUVSWHSW-WUKNDPDISA-N 0 0 364.444 6.315 40 30 FKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C ZINC000408619829 570959948 /nfs/dbraw/zinc/95/99/48/570959948.db2.gz HYGQKMCMDGPUGD-CCEZHUSRSA-N 0 0 373.452 5.167 40 30 FKEBRN Cc1c(/C=C/C(=O)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 ZINC000408620331 570959960 /nfs/dbraw/zinc/95/99/60/570959960.db2.gz IHUKVLYAWRZXKC-FOCLMDBBSA-N 0 0 369.439 6.033 40 30 FKEBRN Cc1ccccc1Cn1cc(/C=C/C(=O)c2ccccc2)c2ccccc21 ZINC000408620461 570959930 /nfs/dbraw/zinc/95/99/30/570959930.db2.gz JAKZLXPHEACFSZ-FOCLMDBBSA-N 0 0 351.449 5.894 40 30 FKEBRN O=C(/C=C/c1ccccc1OCc1cccc2ccccc21)c1ccccc1 ZINC000408620836 570960625 /nfs/dbraw/zinc/96/06/25/570960625.db2.gz KHOXIJMBRSXYFP-ISLYRVAYSA-N 0 0 364.444 6.315 40 30 FKEBRN N#Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c(F)c1 ZINC000408621279 570960420 /nfs/dbraw/zinc/96/04/20/570960420.db2.gz LDXULGHAXHQZQV-UHFFFAOYSA-N 0 0 373.412 5.226 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408621490 570960589 /nfs/dbraw/zinc/96/05/89/570960589.db2.gz MOIQWBSKBGZOPZ-DHZHZOJOSA-N 0 0 370.279 6.297 40 30 FKEBRN O=C(/C=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 ZINC000408621792 570587902 /nfs/dbraw/zinc/58/79/02/570587902.db2.gz OAGYWLWFLBLVKF-NTCAYCPXSA-N 0 0 355.412 5.725 40 30 FKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C/C(=O)c2ccccc2)c1C ZINC000408622241 570587945 /nfs/dbraw/zinc/58/79/45/570587945.db2.gz OTHCIJLDKOFUFA-PKNBQFBNSA-N 0 0 365.860 5.652 40 30 FKEBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1 ZINC000408622481 570958358 /nfs/dbraw/zinc/95/83/58/570958358.db2.gz PNECNYZYCNCCLB-JXMROGBWSA-N 0 0 353.761 5.404 40 30 FKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000408622915 570588338 /nfs/dbraw/zinc/58/83/38/570588338.db2.gz QGOJOSQQVFFVNZ-FYWRMAATSA-N 0 0 358.437 5.560 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2cccc3ccccc32)cc1)c1ccccc1 ZINC000408622959 570588441 /nfs/dbraw/zinc/58/84/41/570588441.db2.gz QHOZGGSJQDXGQN-OBGWFSINSA-N 0 0 364.444 6.315 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000408623680 570958306 /nfs/dbraw/zinc/95/83/06/570958306.db2.gz RPOQGVJWHBYFCM-FOCLMDBBSA-N 0 0 351.449 6.143 40 30 FKEBRN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(F)c1 ZINC000408623979 570958805 /nfs/dbraw/zinc/95/88/05/570958805.db2.gz WAVOZPKYRGVJMD-UHFFFAOYSA-N 0 0 373.412 5.226 40 30 FKEBRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nc2c1 ZINC000408624007 570958795 /nfs/dbraw/zinc/95/87/95/570958795.db2.gz AHSSNHAXIGZESU-UHFFFAOYSA-N 0 0 371.371 5.066 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000408624583 570590759 /nfs/dbraw/zinc/59/07/59/570590759.db2.gz VDKJXVWJPZMYMW-VAWYXSNFSA-N 0 0 370.279 6.297 40 30 FKEBRN O=C(/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000408624727 570958762 /nfs/dbraw/zinc/95/87/62/570958762.db2.gz VWKJPXNRPDPXNQ-SDNWHVSQSA-N 0 0 359.381 5.070 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408625013 570590251 /nfs/dbraw/zinc/59/02/51/570590251.db2.gz WBOSAUBMUKSSHG-DHZHZOJOSA-N 0 0 370.279 6.297 40 30 FKEBRN O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000408625135 570591522 /nfs/dbraw/zinc/59/15/22/570591522.db2.gz WNPIECMGOIQYAH-XNTDXEJSSA-N 0 0 359.381 5.070 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408625433 570958835 /nfs/dbraw/zinc/95/88/35/570958835.db2.gz YCEATNLAIHEXIA-DHZHZOJOSA-N 0 0 370.279 6.297 40 30 FKEBRN Cc1ccc(Cn2cc(/C=C/C(=O)c3ccccc3)c3ccccc32)cc1 ZINC000408625655 570958695 /nfs/dbraw/zinc/95/86/95/570958695.db2.gz YWNWVPUXYDIPCN-FOCLMDBBSA-N 0 0 351.449 5.894 40 30 FKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1Br ZINC000408625777 570958807 /nfs/dbraw/zinc/95/88/07/570958807.db2.gz ZFJIGXRKCTXVTN-PKNBQFBNSA-N 0 0 367.242 5.914 40 30 FKEBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)oc2c1 ZINC000408627558 570958761 /nfs/dbraw/zinc/95/87/61/570958761.db2.gz LRBGTCBWDTWJRD-UHFFFAOYSA-N 0 0 371.371 5.066 40 30 FKEBRN CCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000408628846 570959262 /nfs/dbraw/zinc/95/92/62/570959262.db2.gz DIYLPLFTRNRIFW-INIZCTEOSA-N 0 0 366.530 5.585 40 30 FKEBRN CCc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000408628847 570959103 /nfs/dbraw/zinc/95/91/03/570959103.db2.gz DIYLPLFTRNRIFW-MRXNPFEDSA-N 0 0 366.530 5.585 40 30 FKEBRN N#Cc1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 ZINC000408628866 570959069 /nfs/dbraw/zinc/95/90/69/570959069.db2.gz FHTWVOWCUPJHKJ-UHFFFAOYSA-N 0 0 366.873 5.557 40 30 FKEBRN CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000408629074 570959210 /nfs/dbraw/zinc/95/92/10/570959210.db2.gz LKGIFQKNSRFFGQ-AWEZNQCLSA-N 0 0 368.502 5.030 40 30 FKEBRN CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000408629075 570959117 /nfs/dbraw/zinc/95/91/17/570959117.db2.gz LKGIFQKNSRFFGQ-CQSZACIVSA-N 0 0 368.502 5.030 40 30 FKEBRN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000408629205 570959013 /nfs/dbraw/zinc/95/90/13/570959013.db2.gz PSPDHJYLHCYKQZ-AWEZNQCLSA-N 0 0 368.502 5.032 40 30 FKEBRN CC(C)COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000408629206 570959351 /nfs/dbraw/zinc/95/93/51/570959351.db2.gz PSPDHJYLHCYKQZ-CQSZACIVSA-N 0 0 368.502 5.032 40 30 FKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408662152 570964587 /nfs/dbraw/zinc/96/45/87/570964587.db2.gz MRLXAKKWESIAKM-CXUHLZMHSA-N 0 0 358.437 5.479 40 30 FKEBRN Cc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4n3C)o2)cc1Cl ZINC000408663363 570964857 /nfs/dbraw/zinc/96/48/57/570964857.db2.gz RWNDWNWKWVVADK-WSDLNYQXSA-N 0 0 364.836 5.241 40 30 FKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000408666443 570964206 /nfs/dbraw/zinc/96/42/06/570964206.db2.gz UUPRMQIIRXSUIP-XNTDXEJSSA-N 0 0 358.437 5.479 40 30 FKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1 ZINC000408670203 570965128 /nfs/dbraw/zinc/96/51/28/570965128.db2.gz IHNCFRMXAUKFTQ-UHFFFAOYSA-N 0 0 372.509 5.199 40 30 FKEBRN CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)CCC2=O)c1 ZINC000408674368 570965112 /nfs/dbraw/zinc/96/51/12/570965112.db2.gz ZKYWJAASEQSHSR-UHFFFAOYSA-N 0 0 372.509 5.199 40 30 FKEBRN CCCCCCCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000408685173 570965392 /nfs/dbraw/zinc/96/53/92/570965392.db2.gz QGMFTPXWZLIXBZ-UHFFFAOYSA-N 0 0 371.477 5.829 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408691538 570966298 /nfs/dbraw/zinc/96/62/98/570966298.db2.gz CRVUKHSDUUAKNE-OVCLIPMQSA-N 0 0 373.408 5.378 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000408691576 570966193 /nfs/dbraw/zinc/96/61/93/570966193.db2.gz FVFCMHBOBUTYRT-CCEZHUSRSA-N 0 0 362.856 6.124 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000408691586 570966151 /nfs/dbraw/zinc/96/61/51/570966151.db2.gz GTVWAHLYIPXJKL-JXMROGBWSA-N 0 0 367.788 5.713 40 30 FKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)c2ccc(C)cc2)o1 ZINC000408691614 570966205 /nfs/dbraw/zinc/96/62/05/570966205.db2.gz ILWQLMBLJGJFQI-DHZHZOJOSA-N 0 0 363.369 5.068 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408691728 570966169 /nfs/dbraw/zinc/96/61/69/570966169.db2.gz NSKAMLJHRNBMLX-NTCAYCPXSA-N 0 0 373.408 5.378 40 30 FKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccc(C)cc3)o2)c1 ZINC000408691749 570966189 /nfs/dbraw/zinc/96/61/89/570966189.db2.gz OSTZPCOETAJPHS-ACCUITESSA-N 0 0 360.409 5.328 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000408691754 570966257 /nfs/dbraw/zinc/96/62/57/570966257.db2.gz OUHLBIVNBNQCLL-XNTDXEJSSA-N 0 0 353.421 5.342 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408691756 570966162 /nfs/dbraw/zinc/96/61/62/570966162.db2.gz OYPKOYPVWYPMES-NTCAYCPXSA-N 0 0 362.856 6.124 40 30 FKEBRN C=CCOc1ccc(Br)cc1/C=C/C(=O)c1ccc(C)cc1 ZINC000408691759 570966417 /nfs/dbraw/zinc/96/64/17/570966417.db2.gz PBFRQBYQPKBSJU-CSKARUKUSA-N 0 0 357.247 5.218 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408691820 570649198 /nfs/dbraw/zinc/64/91/98/570649198.db2.gz RVOMZFSQEVZOAL-XNTDXEJSSA-N 0 0 362.856 6.124 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000408691878 570966375 /nfs/dbraw/zinc/96/63/75/570966375.db2.gz VMSGDPBQEKKPNN-BUHFOSPRSA-N 0 0 362.856 6.124 40 30 FKEBRN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000408691885 570966400 /nfs/dbraw/zinc/96/64/00/570966400.db2.gz WFRDUWYWDZKITK-RVDMUPIBSA-N 0 0 372.464 5.869 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1 ZINC000408691943 570966277 /nfs/dbraw/zinc/96/62/77/570966277.db2.gz ZHNZNHWAUFFTPT-JXMROGBWSA-N 0 0 351.333 5.198 40 30 FKEBRN CCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1CC ZINC000408692003 570649340 /nfs/dbraw/zinc/64/93/40/570649340.db2.gz BDALIWSADSGPDN-HZHRSRAPSA-N 0 0 358.445 5.054 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408692052 570649147 /nfs/dbraw/zinc/64/91/47/570649147.db2.gz CHWGALFSFLIEOR-SDNWHVSQSA-N 0 0 362.856 6.124 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000408692134 570966235 /nfs/dbraw/zinc/96/62/35/570966235.db2.gz FAZSBRHJKVFMTB-ZHACJKMWSA-N 0 0 358.441 5.380 40 30 FKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000408692167 570966217 /nfs/dbraw/zinc/96/62/17/570966217.db2.gz GCNCETZJGIWTAF-LPYMAVHISA-N 0 0 364.836 5.416 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408692173 570966351 /nfs/dbraw/zinc/96/63/51/570966351.db2.gz GJMYAZRZQZJEFX-NTEUORMPSA-N 0 0 362.856 6.124 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000408692216 570966457 /nfs/dbraw/zinc/96/64/57/570966457.db2.gz HHTQLWHTGSZODO-BUVRLJJBSA-N 0 0 371.488 5.218 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1c2ccccc2cc2ccccc21 ZINC000408692296 570966122 /nfs/dbraw/zinc/96/61/22/570966122.db2.gz JGLDCWCPRCMVGQ-PCLIKHOPSA-N 0 0 364.452 5.809 40 30 FKEBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(C)cc2)c1C ZINC000408692309 570966199 /nfs/dbraw/zinc/96/61/99/570966199.db2.gz JNKTYLRJRJHXQE-BUHFOSPRSA-N 0 0 373.452 5.085 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000408692331 570966494 /nfs/dbraw/zinc/96/64/94/570966494.db2.gz JZZSCTQAMNSUBT-ZRDIBKRKSA-N 0 0 374.440 5.515 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408692339 263484519 /nfs/dbraw/zinc/48/45/19/263484519.db2.gz KEPMMYZHZJQMGM-ZRDIBKRKSA-N 0 0 363.888 6.260 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1cccc(OCc2ccccc2)c1 ZINC000408692431 570966560 /nfs/dbraw/zinc/96/65/60/570966560.db2.gz MHBYQXABYHZZRJ-LFVJCYFKSA-N 0 0 370.456 5.081 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408692448 263484405 /nfs/dbraw/zinc/48/44/05/263484405.db2.gz MSFFOCRTDQYGPG-XNTDXEJSSA-N 0 0 359.469 5.697 40 30 FKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)c1 ZINC000408692453 570966313 /nfs/dbraw/zinc/96/63/13/570966313.db2.gz MULLTQIVHWPZQF-OUKQBFOZSA-N 0 0 373.452 5.085 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OCc2ccccc2)cc1 ZINC000408692483 570966531 /nfs/dbraw/zinc/96/65/31/570966531.db2.gz NKJLWIQEEISPQT-LFVJCYFKSA-N 0 0 370.456 5.081 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408692537 570966551 /nfs/dbraw/zinc/96/65/51/570966551.db2.gz OPZOWCSEQUEYES-BUVRLJJBSA-N 0 0 371.488 5.218 40 30 FKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000408692559 570649721 /nfs/dbraw/zinc/64/97/21/570649721.db2.gz PIIHUKBJZZQBFX-LPYMAVHISA-N 0 0 364.836 5.416 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cc(Cl)ccc1C ZINC000408692643 570966344 /nfs/dbraw/zinc/96/63/44/570966344.db2.gz RLKDHZCKUCGNDL-ZRDIBKRKSA-N 0 0 363.888 6.260 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1ccccc1OCc1ccccc1 ZINC000408692666 570966510 /nfs/dbraw/zinc/96/65/10/570966510.db2.gz RVJCVNQBOFROJK-LFVJCYFKSA-N 0 0 370.456 5.081 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408692714 570966263 /nfs/dbraw/zinc/96/62/63/570966263.db2.gz SPXXHIOAXASFBR-SDNWHVSQSA-N 0 0 373.452 5.085 40 30 FKEBRN CCCOc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2n1CC ZINC000408692749 570966327 /nfs/dbraw/zinc/96/63/27/570966327.db2.gz UHYYUYJBZZZIDV-LFVJCYFKSA-N 0 0 372.472 5.444 40 30 FKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc2ccccc21 ZINC000408692769 570966392 /nfs/dbraw/zinc/96/63/92/570966392.db2.gz UUVOZMGGLCKBQJ-FOCLMDBBSA-N 0 0 365.476 6.452 40 30 FKEBRN Cc1ccc(Cn2cc(/C=C/C(=O)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000408692782 570648703 /nfs/dbraw/zinc/64/87/03/570648703.db2.gz VFRGVUPOSZSYOC-FOCLMDBBSA-N 0 0 365.476 6.203 40 30 FKEBRN CCn1c2ccccc2[nH]c1=NN=Cc1c(OC(C)C)ccc2ccccc21 ZINC000408692796 570648823 /nfs/dbraw/zinc/64/88/23/570648823.db2.gz VQEAFWMNJDREDH-BUVRLJJBSA-N 0 0 372.472 5.443 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1 ZINC000408692820 570966142 /nfs/dbraw/zinc/96/61/42/570966142.db2.gz WEAQOWYDWGRLAD-FOCLMDBBSA-N 0 0 365.476 6.203 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000408692858 570648773 /nfs/dbraw/zinc/64/87/73/570648773.db2.gz WZSQPBOPZSGYED-NTEUORMPSA-N 0 0 373.408 5.378 40 30 FKEBRN CCn1c2ccccc2nc1NN=Cc1cc(C)n(-c2ccccc2C)c1C ZINC000408692899 570966241 /nfs/dbraw/zinc/96/62/41/570966241.db2.gz XYYKHRRSHIZQPQ-BUVRLJJBSA-N 0 0 371.488 5.218 40 30 FKEBRN Cc1ccc(C(=O)/C=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000408692957 570966291 /nfs/dbraw/zinc/96/62/91/570966291.db2.gz ZGPPSSOLWFNYBG-NTCAYCPXSA-N 0 0 369.439 6.033 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC ZINC000408702945 263485917 /nfs/dbraw/zinc/48/59/17/263485917.db2.gz KSGWBQPYHSFJMB-UHFFFAOYSA-N 0 0 369.770 5.348 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC ZINC000408705482 570969422 /nfs/dbraw/zinc/96/94/22/570969422.db2.gz GUBVZGYOGDNLFB-UHFFFAOYSA-N 0 0 373.452 5.255 40 30 FKEBRN C=CCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC ZINC000408706038 570969480 /nfs/dbraw/zinc/96/94/80/570969480.db2.gz UAWGSFQTHMMEDJ-UHFFFAOYSA-N 0 0 359.425 5.468 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000408706676 570969389 /nfs/dbraw/zinc/96/93/89/570969389.db2.gz CJWUTRCAAGGIHI-UHFFFAOYSA-N 0 0 373.324 5.189 40 30 FKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(F)ccc1C ZINC000408706864 570969578 /nfs/dbraw/zinc/96/95/78/570969578.db2.gz GJOAGCNYWBFTQW-UHFFFAOYSA-N 0 0 364.505 5.110 40 30 FKEBRN C=CCOc1ccc(NC(=O)c2cc3cc(Br)ccc3o2)cc1 ZINC000408707035 570969497 /nfs/dbraw/zinc/96/94/97/570969497.db2.gz GJCIKXYECILSKN-UHFFFAOYSA-N 0 0 372.218 5.012 40 30 FKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1C ZINC000408707053 570659647 /nfs/dbraw/zinc/65/96/47/570659647.db2.gz IWJXPOFVNIGGRJ-UHFFFAOYSA-N 0 0 364.505 5.110 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000408707291 570659616 /nfs/dbraw/zinc/65/96/16/570659616.db2.gz MJVIOLJYNUHOIR-UHFFFAOYSA-N 0 0 373.324 5.189 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408707339 263487396 /nfs/dbraw/zinc/48/73/96/263487396.db2.gz NDXVJZZGHCZNCK-UHFFFAOYSA-N 0 0 373.324 5.189 40 30 FKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C ZINC000408708105 570969465 /nfs/dbraw/zinc/96/94/65/570969465.db2.gz GUSZRZNMZKDRHL-UHFFFAOYSA-N 0 0 374.569 5.786 40 30 FKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000408708189 570969484 /nfs/dbraw/zinc/96/94/84/570969484.db2.gz VRIRJGNSOVZVCE-UHFFFAOYSA-N 0 0 364.505 5.110 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(CCCC)cc1 ZINC000408709359 570969532 /nfs/dbraw/zinc/96/95/32/570969532.db2.gz RGFJZDHIENDWDF-UHFFFAOYSA-N 0 0 360.542 5.225 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000408709688 570969345 /nfs/dbraw/zinc/96/93/45/570969345.db2.gz VZTQHILRPBTMBD-UHFFFAOYSA-N 0 0 360.542 5.180 40 30 FKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000408709810 570969419 /nfs/dbraw/zinc/96/94/19/570969419.db2.gz XFWQNUJATPVXAK-UHFFFAOYSA-N 0 0 360.542 5.180 40 30 FKEBRN Cc1ccc2nc(-c3ccc(Nc4ccc(N)cc4C#N)cc3)sc2c1 ZINC000408712600 570970457 /nfs/dbraw/zinc/97/04/57/570970457.db2.gz AHIUOANZSJWFMN-UHFFFAOYSA-N 0 0 356.454 5.469 40 30 FKEBRN C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1c[nH]c2ccccc12 ZINC000408718078 570970577 /nfs/dbraw/zinc/97/05/77/570970577.db2.gz HONHOZCFUXCMJD-ZVHZXABRSA-N 0 0 364.408 5.636 40 30 FKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718248 570970524 /nfs/dbraw/zinc/97/05/24/570970524.db2.gz FIZGJCFINHITEZ-HYARGMPZSA-N 0 0 370.368 5.062 40 30 FKEBRN CN(C)c1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718300 263489453 /nfs/dbraw/zinc/48/94/53/263489453.db2.gz QVXDMSZMJCLKKL-LFVJCYFKSA-N 0 0 368.440 5.220 40 30 FKEBRN Clc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718301 570970302 /nfs/dbraw/zinc/97/03/02/570970302.db2.gz QXZASPIGQYICRN-OEAKJJBVSA-N 0 0 359.816 5.808 40 30 FKEBRN COc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1Cl ZINC000408718482 570970395 /nfs/dbraw/zinc/97/03/95/570970395.db2.gz ZOKLFXTUGYVJCM-UHFFFAOYSA-N 0 0 364.784 5.071 40 30 FKEBRN COc1ccc(/C=N/c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000408718484 570970440 /nfs/dbraw/zinc/97/04/40/570970440.db2.gz ZOQRHPCIQLUURF-HZHRSRAPSA-N 0 0 355.397 5.163 40 30 FKEBRN COc1ccccc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718497 570970481 /nfs/dbraw/zinc/97/04/81/570970481.db2.gz ZUXYGKDGKALUTO-HZHRSRAPSA-N 0 0 355.397 5.163 40 30 FKEBRN CCCCCCCCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1 ZINC000408718605 570970277 /nfs/dbraw/zinc/97/02/77/570970277.db2.gz IQHHIWQSPYLUOP-UHFFFAOYSA-N 0 0 368.521 6.162 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1ccc(/N=N/c3ccccc3)o1)CCCC2 ZINC000408719325 570970574 /nfs/dbraw/zinc/97/05/74/570970574.db2.gz CDAFFKOSYZLSNG-QTANEOQUSA-N 0 0 360.442 6.258 40 30 FKEBRN Cc1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000408719765 570970545 /nfs/dbraw/zinc/97/05/45/570970545.db2.gz QYSGGLIXIIOZEF-TXNBCWFRSA-N 0 0 350.237 5.016 40 30 FKEBRN Cc1[nH]c2ccccc2c1/C=N/c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000408720709 570969791 /nfs/dbraw/zinc/96/97/91/570969791.db2.gz CQLNGTQVGKVRLX-ZMOGYAJESA-N 0 0 367.408 5.585 40 30 FKEBRN CCCCCCCCNC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000408720997 570971166 /nfs/dbraw/zinc/97/11/66/570971166.db2.gz CITQAWKCVUCNLV-UHFFFAOYSA-N 0 0 374.488 5.355 40 30 FKEBRN Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc(C)c(C)cc3C)S2)c1 ZINC000408721299 570971265 /nfs/dbraw/zinc/97/12/65/570971265.db2.gz OCEIWWLOJDXUCD-ODLFYWEKSA-N 0 0 350.487 5.120 40 30 FKEBRN CCCCCCCCCCCOC(=O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000408721676 263489931 /nfs/dbraw/zinc/48/99/31/263489931.db2.gz KTHAWYVCBTZEAW-UHFFFAOYSA-N 0 0 373.493 5.028 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C)c(C)cc3C)S2)c(C)c1 ZINC000408721718 570971258 /nfs/dbraw/zinc/97/12/58/570971258.db2.gz XMXDKAQWXWQZIC-ODLFYWEKSA-N 0 0 350.487 5.120 40 30 FKEBRN Clc1cccc(Cl)c1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408721859 570676483 /nfs/dbraw/zinc/67/64/83/570676483.db2.gz AQRDUMUYNPNPAM-UFFVCSGVSA-N 0 0 359.281 5.966 40 30 FKEBRN Brc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408722093 570971173 /nfs/dbraw/zinc/97/11/73/570971173.db2.gz DJEVAXSFXQKFIY-RGVLZGJSSA-N 0 0 369.287 5.422 40 30 FKEBRN Clc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 ZINC000408722199 570971616 /nfs/dbraw/zinc/97/16/16/570971616.db2.gz FEBWEZUDLXFZDF-BUVRLJJBSA-N 0 0 374.896 6.881 40 30 FKEBRN CCOc1ccc(/C=N/c2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 ZINC000408722233 263490569 /nfs/dbraw/zinc/49/05/69/263490569.db2.gz FOMUZWUDWFKZOR-LPYMAVHISA-N 0 0 364.470 5.067 40 30 FKEBRN CCCCOc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408722331 570971840 /nfs/dbraw/zinc/97/18/40/570971840.db2.gz HHARYMJYOIEKKU-HZHRSRAPSA-N 0 0 362.498 5.838 40 30 FKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3cccc4ccccc34)sc1CC2 ZINC000408722418 570971569 /nfs/dbraw/zinc/97/15/69/570971569.db2.gz INOFBRFNMLHRKL-ZVHZXABRSA-N 0 0 370.477 5.821 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408722426 570676072 /nfs/dbraw/zinc/67/60/72/570676072.db2.gz IUHMCQMSFYMAFB-YDZHTSKRSA-N 0 0 356.450 5.518 40 30 FKEBRN Clc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000408722535 570676534 /nfs/dbraw/zinc/67/65/34/570676534.db2.gz JVEUOVPBCKSZIG-BUVRLJJBSA-N 0 0 374.896 6.881 40 30 FKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3cccc4ccccc34)nc1-2 ZINC000408722572 570676557 /nfs/dbraw/zinc/67/65/57/570676557.db2.gz LABJQHDTDRJHRX-FSJBWODESA-N 0 0 372.449 5.615 40 30 FKEBRN Brc1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1 ZINC000408722596 570676441 /nfs/dbraw/zinc/67/64/41/570676441.db2.gz LRFINOMMGZBNMH-RGVLZGJSSA-N 0 0 369.287 5.422 40 30 FKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(C(C)C)cc3)nc1-2 ZINC000408722617 570971686 /nfs/dbraw/zinc/97/16/86/570971686.db2.gz MHJLBROPISQZNR-SSDVNMTOSA-N 0 0 364.470 5.585 40 30 FKEBRN COc1ccc2ccccc2c1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408722630 570971588 /nfs/dbraw/zinc/97/15/88/570971588.db2.gz MOIMGEGZFNALCD-ZVHZXABRSA-N 0 0 370.477 5.821 40 30 FKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 ZINC000408722701 570971821 /nfs/dbraw/zinc/97/18/21/570971821.db2.gz DRTGWFKUXPCUSX-AFUMVMLFSA-N 0 0 374.440 5.496 40 30 FKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc(Cl)cc3)sc1CC2 ZINC000408722705 570971705 /nfs/dbraw/zinc/97/17/05/570971705.db2.gz MPJARENTXBWEIJ-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccccc3Cl)sc1CC2 ZINC000408723070 570971639 /nfs/dbraw/zinc/97/16/39/570971639.db2.gz QBDXLZBEJLOOIH-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3cccc(Cl)c3)nc1-2 ZINC000408723322 263490978 /nfs/dbraw/zinc/49/09/78/263490978.db2.gz TZAQSZGDEQTHJH-AWQFTUOYSA-N 0 0 356.834 5.115 40 30 FKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccccc1 ZINC000408723375 570971884 /nfs/dbraw/zinc/97/18/84/570971884.db2.gz UCAKJEHWLPIWDU-ZMOGYAJESA-N 0 0 360.413 5.106 40 30 FKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3)sc2-c2ccccc2)cc1 ZINC000408723423 570971765 /nfs/dbraw/zinc/97/17/65/570971765.db2.gz UIUZPWFXMVFNCK-LFVJCYFKSA-N 0 0 370.477 6.236 40 30 FKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3cccc(Cl)c3)sc1CC2 ZINC000408723471 570971558 /nfs/dbraw/zinc/97/15/58/570971558.db2.gz VPMQFZIGMRMGQF-SRZZPIQSSA-N 0 0 354.862 5.321 40 30 FKEBRN Clc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c(Cl)c1 ZINC000408723496 570971750 /nfs/dbraw/zinc/97/17/50/570971750.db2.gz VTWMWXBRKMTGRC-UFFVCSGVSA-N 0 0 359.281 5.966 40 30 FKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccccc3Cl)nc1-2 ZINC000408723520 263491388 /nfs/dbraw/zinc/49/13/88/263491388.db2.gz WEYOEXBSTUJWLL-AWQFTUOYSA-N 0 0 356.834 5.115 40 30 FKEBRN COc1ccc2c(c1)-c1nc(/N=C/c3ccc(C(C)C)cc3)sc1CC2 ZINC000408723559 570971891 /nfs/dbraw/zinc/97/18/91/570971891.db2.gz WLMOQVBJPIGPTQ-YDZHTSKRSA-N 0 0 362.498 5.791 40 30 FKEBRN COc1ccc2c(c1)OCc1sc(/N=C/c3ccc(Cl)cc3)nc1-2 ZINC000408723575 570971833 /nfs/dbraw/zinc/97/18/33/570971833.db2.gz WWTKZUHWWLAHES-AWQFTUOYSA-N 0 0 356.834 5.115 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)C)cc3)S2)c(C)c1 ZINC000408723826 263491622 /nfs/dbraw/zinc/49/16/22/263491622.db2.gz RXMFSJDVPLKPKG-XDHOZWIPSA-N 0 0 350.487 5.318 40 30 FKEBRN Cc1cccc(N(C)/N=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1 ZINC000408723939 570970860 /nfs/dbraw/zinc/97/08/60/570970860.db2.gz ARGKHIMHYVUYNU-LVWGJNHUSA-N 0 0 368.436 5.052 40 30 FKEBRN Cc1ccc(NN=C2C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000408724597 570970781 /nfs/dbraw/zinc/97/07/81/570970781.db2.gz 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ZINC000408727715 570972925 /nfs/dbraw/zinc/97/29/25/570972925.db2.gz XDILWSJJPPNJEU-DAFNUICNSA-N 0 0 368.436 5.052 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccccc3F)cc1)C2 ZINC000408730686 570972576 /nfs/dbraw/zinc/97/25/76/570972576.db2.gz HAUNVEMRHHRAST-FMIVXFBMSA-N 0 0 371.455 5.859 40 30 FKEBRN CC(=O)c1cccc(N=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000408731021 570972679 /nfs/dbraw/zinc/97/26/79/570972679.db2.gz IKBDYRUGHQOOKQ-SRZZPIQSSA-N 0 0 368.776 5.461 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc4c(c3)OCO4)cc1)C2 ZINC000408732976 263492089 /nfs/dbraw/zinc/49/20/89/263492089.db2.gz CCABAMXMDRZGCP-BRJLIKDPSA-N 0 0 370.452 5.303 40 30 FKEBRN Clc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)c(Cl)c1 ZINC000408732978 570683956 /nfs/dbraw/zinc/68/39/56/570683956.db2.gz CCUKMEOAXZNZDL-WYMPLXKRSA-N 0 0 367.279 6.264 40 30 FKEBRN COc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000408732991 263492049 /nfs/dbraw/zinc/49/20/49/263492049.db2.gz CJQBTIIMBXCGIO-AFUMVMLFSA-N 0 0 356.469 5.583 40 30 FKEBRN Cc1ccc(/C=C/C(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000408733328 570973969 /nfs/dbraw/zinc/97/39/69/570973969.db2.gz XMAFAAMSSOPVII-MDWZMJQESA-N 0 0 367.492 6.028 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(Cl)cc3)cc1)C2 ZINC000408733559 263493294 /nfs/dbraw/zinc/49/32/94/263493294.db2.gz JUORMEBUVURARU-DHRITJCHSA-N 0 0 360.888 6.228 40 30 FKEBRN CCOc1ccccc1/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 ZINC000408733625 263493068 /nfs/dbraw/zinc/49/30/68/263493068.db2.gz MYAAGVTWHKRXJN-CVKSISIWSA-N 0 0 370.496 5.973 40 30 FKEBRN CCOc1ccc(/C=N/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000408733780 570974143 /nfs/dbraw/zinc/97/41/43/570974143.db2.gz QOSYTQXAFVHXFN-CVKSISIWSA-N 0 0 370.496 5.973 40 30 FKEBRN CCOc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000408734207 570973178 /nfs/dbraw/zinc/97/31/78/570973178.db2.gz CDFSEUUSDODYPG-CVKSISIWSA-N 0 0 370.496 5.973 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(C(C)C)cc3)cc1)C2 ZINC000408734223 263493075 /nfs/dbraw/zinc/49/30/75/263493075.db2.gz IOGDRZXHFMMPGJ-JFLMPSFJSA-N 0 0 368.524 6.698 40 30 FKEBRN FC(F)(F)c1cccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)c1 ZINC000408734330 570973099 /nfs/dbraw/zinc/97/30/99/570973099.db2.gz VDHCUURNUAIKAK-LGJNPRDNSA-N 0 0 366.386 5.976 40 30 FKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3Cl)cc1)C2 ZINC000408734579 570973708 /nfs/dbraw/zinc/97/37/08/570973708.db2.gz YMMFKCZBQSUFBS-DHRITJCHSA-N 0 0 360.888 6.228 40 30 FKEBRN C=CCOc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408736077 570973982 /nfs/dbraw/zinc/97/39/82/570973982.db2.gz DEMOKVSRWSGORK-GPXNEJASSA-N 0 0 353.465 6.231 40 30 FKEBRN N#CCOc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736119 570973878 /nfs/dbraw/zinc/97/38/78/570973878.db2.gz GHVXURDUJZEDBJ-GIWBLDEGSA-N 0 0 352.437 5.569 40 30 FKEBRN C=CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736193 570974063 /nfs/dbraw/zinc/97/40/63/570974063.db2.gz KPMARHMLJNKZGZ-UWVAXJGDSA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736218 570973955 /nfs/dbraw/zinc/97/39/55/570973955.db2.gz MCNCHKYGUJXQCE-QEEYODRMSA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736245 570973816 /nfs/dbraw/zinc/97/38/16/570973816.db2.gz NQEIFKIMIQNJRP-GPXNEJASSA-N 0 0 353.465 6.231 40 30 FKEBRN C=CCOc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736272 570973885 /nfs/dbraw/zinc/97/38/85/570973885.db2.gz OTELUIRUMJKULM-GUXCAODWSA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736640 570974606 /nfs/dbraw/zinc/97/46/06/570974606.db2.gz YNANKTPSCXASIN-GUXCAODWSA-N 0 0 372.295 6.385 40 30 FKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000408736980 570974560 /nfs/dbraw/zinc/97/45/60/570974560.db2.gz FNUDAPYVYYLRPS-CIAFOILYSA-N 0 0 369.877 5.474 40 30 FKEBRN Cc1ccc(-c2cc(/N=C/c3ccc(F)cc3)n(-c3ccccc3)n2)cc1 ZINC000408737014 570686244 /nfs/dbraw/zinc/68/62/44/570686244.db2.gz GNMYYZBFVJHEBS-PCLIKHOPSA-N 0 0 355.416 5.737 40 30 FKEBRN CCCCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000408737086 263493206 /nfs/dbraw/zinc/49/32/06/263493206.db2.gz HZNXPKAJFFUGJS-JWGURIENSA-N 0 0 367.518 6.092 40 30 FKEBRN Cc1ccc(/C=N/c2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cc1 ZINC000408737138 263494187 /nfs/dbraw/zinc/49/41/87/263494187.db2.gz KWGHFFIYPOEYPN-KOEQRZSOSA-N 0 0 351.453 5.907 40 30 FKEBRN CCCCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000408737148 570686622 /nfs/dbraw/zinc/68/66/22/570686622.db2.gz LGBNJWPDLMLBNV-XQNSMLJCSA-N 0 0 365.502 5.825 40 30 FKEBRN Cc1ccc(-c2cc(/N=C/c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000408737391 570686602 /nfs/dbraw/zinc/68/66/02/570686602.db2.gz OILHAJPZIRBZEW-PCLIKHOPSA-N 0 0 371.871 6.252 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737418 263494226 /nfs/dbraw/zinc/49/42/26/263494226.db2.gz AAPUKZLIQGZANL-WSDLNYQXSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000408737434 570974494 /nfs/dbraw/zinc/97/44/94/570974494.db2.gz AMWCBGIGLDKNCO-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737449 570684864 /nfs/dbraw/zinc/68/48/64/570684864.db2.gz AUIDNAMDNRVBRY-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737483 263493910 /nfs/dbraw/zinc/49/39/10/263493910.db2.gz BMNWDPYSHOTNQO-OEAKJJBVSA-N 0 0 351.881 5.564 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408737484 570974910 /nfs/dbraw/zinc/97/49/10/570974910.db2.gz BMZHDONTIKOIKO-WPWMEQJKSA-N 0 0 368.455 6.651 40 30 FKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000408737500 263493989 /nfs/dbraw/zinc/49/39/89/263493989.db2.gz SRGGDOLOLFAOGS-CIAFOILYSA-N 0 0 369.877 5.474 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737512 263494043 /nfs/dbraw/zinc/49/40/43/263494043.db2.gz CFUSHDBWMZYNNS-ZVHZXABRSA-N 0 0 350.893 6.622 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408737520 570974810 /nfs/dbraw/zinc/97/48/10/570974810.db2.gz CQHWJACORZEPGN-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3Cl)S2)cc1Cl ZINC000408737524 570975039 /nfs/dbraw/zinc/97/50/39/570975039.db2.gz CQQWNUHKBSVLOV-NVNXTCNLSA-N 0 0 363.269 5.193 40 30 FKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(Cl)cc1 ZINC000408737543 263493933 /nfs/dbraw/zinc/49/39/33/263493933.db2.gz CXBCXRXTFHQBMT-MFKUBSTISA-N 0 0 358.872 6.651 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737546 570975024 /nfs/dbraw/zinc/97/50/24/570975024.db2.gz DABMYWNZQONNGK-CIAFOILYSA-N 0 0 368.824 5.102 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408737561 263493962 /nfs/dbraw/zinc/49/39/62/263493962.db2.gz DEWYCSXUNPZQGW-YDZHTSKRSA-N 0 0 350.849 5.701 40 30 FKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000408737576 263493876 /nfs/dbraw/zinc/49/38/76/263493876.db2.gz DOAPEJQDPRPLQC-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000408737597 570975049 /nfs/dbraw/zinc/97/50/49/570975049.db2.gz DSOJBNIWLSSTPW-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737599 570974892 /nfs/dbraw/zinc/97/48/92/570974892.db2.gz FMKQIGJTMNMXAV-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737615 570975019 /nfs/dbraw/zinc/97/50/19/570975019.db2.gz FQSKNIHSCPVLGU-ZVHZXABRSA-N 0 0 374.875 5.742 40 30 FKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(C)cc1 ZINC000408737659 570974990 /nfs/dbraw/zinc/97/49/90/570974990.db2.gz GBHXCCPHZBSWJP-AFUMVMLFSA-N 0 0 373.525 5.965 40 30 FKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737716 570974969 /nfs/dbraw/zinc/97/49/69/570974969.db2.gz FVMTXBZOQORFRY-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408737727 570974776 /nfs/dbraw/zinc/97/47/76/570974776.db2.gz FXYORNFXTSWPLY-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN COc1ccccc1C(C)N=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000408737781 570973994 /nfs/dbraw/zinc/97/39/94/570973994.db2.gz XGRYTOJLCHPKMK-MTJSOVHGSA-N 0 0 357.866 5.308 40 30 FKEBRN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)C(C)(C)C ZINC000408737823 263494350 /nfs/dbraw/zinc/49/43/50/263494350.db2.gz YCUPFRJURYIIQM-VCHYOVAHSA-N 0 0 352.301 5.407 40 30 FKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408737836 263494195 /nfs/dbraw/zinc/49/41/95/263494195.db2.gz HUFWABPPAXFIDI-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(F)cc1 ZINC000408737842 570975219 /nfs/dbraw/zinc/97/52/19/570975219.db2.gz IDRKVEOORGZLGJ-WSDLNYQXSA-N 0 0 351.381 5.200 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 ZINC000408737879 570975254 /nfs/dbraw/zinc/97/52/54/570975254.db2.gz IRGCRUNZUZYBBR-WSDLNYQXSA-N 0 0 351.381 5.200 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737893 570975308 /nfs/dbraw/zinc/97/53/08/570975308.db2.gz JDRLHXYCVAMEHV-FOKLQQMPSA-N 0 0 361.247 6.291 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000408737926 263493943 /nfs/dbraw/zinc/49/39/43/263493943.db2.gz KHHVIFVSTIWICB-NLRVBDNBSA-N 0 0 350.465 6.512 40 30 FKEBRN Cc1cc(/C=N/c2sc3ccccc3c2C#N)c(C)n1-c1ccccc1 ZINC000408738048 263493944 /nfs/dbraw/zinc/49/39/44/263493944.db2.gz MNFHVXRSVVIZPH-ZVHZXABRSA-N 0 0 355.466 5.931 40 30 FKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccccc3)c2C)ccc1Cl ZINC000408738096 570975341 /nfs/dbraw/zinc/97/53/41/570975341.db2.gz NOVNUOUPKKHIPW-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408738100 570975330 /nfs/dbraw/zinc/97/53/30/570975330.db2.gz NQFDHWAYTMGWMJ-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408738112 570975355 /nfs/dbraw/zinc/97/53/55/570975355.db2.gz OMMLUFPRNOSVEG-OEAKJJBVSA-N 0 0 352.865 5.897 40 30 FKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1Cl ZINC000408738131 570975790 /nfs/dbraw/zinc/97/57/90/570975790.db2.gz PHHKLYPOKFSXJM-FSJBWODESA-N 0 0 356.828 5.646 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000408738146 263494431 /nfs/dbraw/zinc/49/44/31/263494431.db2.gz QMRRBXZLZYAXJD-FYJGNVAPSA-N 0 0 368.278 5.303 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 ZINC000408738248 570975727 /nfs/dbraw/zinc/97/57/27/570975727.db2.gz SQAIEYBUMLBLLB-SSDVNMTOSA-N 0 0 371.799 5.545 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738260 263493859 /nfs/dbraw/zinc/49/38/59/263493859.db2.gz SWNYKOIYFAWJGZ-MFKUBSTISA-N 0 0 364.920 6.796 40 30 FKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408738263 263494284 /nfs/dbraw/zinc/49/42/84/263494284.db2.gz SWYGLRXBZJLOGS-OEAKJJBVSA-N 0 0 352.865 5.897 40 30 FKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccc(Cl)cc1 ZINC000408738293 570975730 /nfs/dbraw/zinc/97/57/30/570975730.db2.gz UKBIFAHQTYAWCB-AFUMVMLFSA-N 0 0 359.860 6.046 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738322 570975720 /nfs/dbraw/zinc/97/57/20/570975720.db2.gz UXCJXAFOFGHSLB-WSDLNYQXSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000408738332 570975707 /nfs/dbraw/zinc/97/57/07/570975707.db2.gz KBDFNCKGFQKZLI-FYJGNVAPSA-N 0 0 353.263 5.607 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccccc1 ZINC000408738346 570975837 /nfs/dbraw/zinc/97/58/37/570975837.db2.gz VPRNCCSKZJTOPV-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000408738385 570974956 /nfs/dbraw/zinc/97/49/56/570974956.db2.gz WHDUJCOQVDQDBL-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408738390 570974883 /nfs/dbraw/zinc/97/48/83/570974883.db2.gz WOBCDNVOCFEBHG-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408738483 570974907 /nfs/dbraw/zinc/97/49/07/570974907.db2.gz ZFPFOJPKILWRMR-YDZHTSKRSA-N 0 0 365.864 5.457 40 30 FKEBRN Cc1cc(/C=N/c2cccc(O)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738519 570975262 /nfs/dbraw/zinc/97/52/62/570975262.db2.gz LHBVPCPQMRYVQR-CIAFOILYSA-N 0 0 369.262 5.313 40 30 FKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408738559 570976222 /nfs/dbraw/zinc/97/62/22/570976222.db2.gz MBKVPPYSRGXOAE-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(C)cc1 ZINC000408738722 570976266 /nfs/dbraw/zinc/97/62/66/570976266.db2.gz NEFOGNYMQLSKDA-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccccc1 ZINC000408738859 263493973 /nfs/dbraw/zinc/49/39/73/263493973.db2.gz PJDONVMFYSHJFZ-FYJGNVAPSA-N 0 0 353.263 5.607 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000408738889 263494303 /nfs/dbraw/zinc/49/43/03/263494303.db2.gz PRELRYCRXIMMLI-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1 ZINC000408739076 570976716 /nfs/dbraw/zinc/97/67/16/570976716.db2.gz SRGDVFULZKJOQW-DHDCSXOGSA-N 0 0 363.269 5.193 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000408739203 263494479 /nfs/dbraw/zinc/49/44/79/263494479.db2.gz TVUMFVHOCWLOHI-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000408739340 263494143 /nfs/dbraw/zinc/49/41/43/263494143.db2.gz VPXLPIRLVMAUMA-MFOYZWKCSA-N 0 0 367.861 5.021 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408739443 570976212 /nfs/dbraw/zinc/97/62/12/570976212.db2.gz WFVZDZOFKVENPK-OVVQPSECSA-N 0 0 364.492 6.820 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000408739458 263494424 /nfs/dbraw/zinc/49/44/24/263494424.db2.gz WNJHFVYWVQTWDW-DHDCSXOGSA-N 0 0 363.269 5.193 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1C1CCCCC1 ZINC000408739546 570976130 /nfs/dbraw/zinc/97/61/30/570976130.db2.gz CONUMAIRGIRKCF-FYJGNVAPSA-N 0 0 359.311 6.123 40 30 FKEBRN COC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000408739608 570977691 /nfs/dbraw/zinc/97/76/91/570977691.db2.gz CYRHKYCNBAWWAM-OYKKKHCWSA-N 0 0 360.457 5.248 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739612 263494359 /nfs/dbraw/zinc/49/43/59/263494359.db2.gz DAWQVWSLYPGVBA-OEAKJJBVSA-N 0 0 351.881 5.564 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408739655 570977542 /nfs/dbraw/zinc/97/75/42/570977542.db2.gz YMAWNSKVNMRQMI-WSDLNYQXSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 ZINC000408739666 570977531 /nfs/dbraw/zinc/97/75/31/570977531.db2.gz YSDYETXUVDWJRK-WQRHYEAKSA-N 0 0 370.905 5.663 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 ZINC000408739700 263493953 /nfs/dbraw/zinc/49/39/53/263493953.db2.gz ZQICBUGNDMXEFT-HGQQOXHYSA-N 0 0 354.862 5.096 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000408739714 570977935 /nfs/dbraw/zinc/97/79/35/570977935.db2.gz ZXVMSNSCLGBTLZ-KOEQRZSOSA-N 0 0 359.517 5.999 40 30 FKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739735 570976589 /nfs/dbraw/zinc/97/65/89/570976589.db2.gz FCHRBEMFIJIMEZ-YZSQISJMSA-N 0 0 367.496 6.064 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1C1CCCCC1 ZINC000408739736 570976648 /nfs/dbraw/zinc/97/66/48/570976648.db2.gz FCWFHJHEEOCKMV-FYJGNVAPSA-N 0 0 359.311 6.123 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000408739777 263493938 /nfs/dbraw/zinc/49/39/38/263493938.db2.gz FPWUZOLGZJTBTI-CIAFOILYSA-N 0 0 359.857 5.922 40 30 FKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1 ZINC000408739814 570976630 /nfs/dbraw/zinc/97/66/30/570976630.db2.gz FWOWHZMZOIFDDV-ZVHZXABRSA-N 0 0 359.498 5.657 40 30 FKEBRN CCN(CC)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000408739927 263494297 /nfs/dbraw/zinc/49/42/97/263494297.db2.gz GTEQUHIQHJHVIH-ONUIUJJFSA-N 0 0 373.544 6.308 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1cc(Cl)cc(Cl)c1Cl)CCCC2 ZINC000408739994 570976655 /nfs/dbraw/zinc/97/66/55/570976655.db2.gz HKJDKFXYBPTYGH-ODCIPOBUSA-N 0 0 369.704 6.209 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408739998 570976538 /nfs/dbraw/zinc/97/65/38/570976538.db2.gz HKZNVIPLBVEISI-OEAKJJBVSA-N 0 0 351.881 5.564 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408740021 570687717 /nfs/dbraw/zinc/68/77/17/570687717.db2.gz HSZAMSIEYOQNAU-HZHRSRAPSA-N 0 0 352.478 5.537 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740049 570976510 /nfs/dbraw/zinc/97/65/10/570976510.db2.gz HZVHOILQHRUTPP-YSMPRRRNSA-N 0 0 353.469 6.010 40 30 FKEBRN COC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000408740063 570976505 /nfs/dbraw/zinc/97/65/05/570976505.db2.gz ICWUEGZYMGQHEU-OYKKKHCWSA-N 0 0 360.457 5.248 40 30 FKEBRN CC(=O)Nc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000408740117 570976712 /nfs/dbraw/zinc/97/67/12/570976712.db2.gz IIBZCMQSEUFSQA-OYKKKHCWSA-N 0 0 359.473 5.420 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740163 263494921 /nfs/dbraw/zinc/49/49/21/263494921.db2.gz IYUSTSAJKKBYBB-QRVIBDJDSA-N 0 0 361.445 5.678 40 30 FKEBRN Cc1cc(/C=N\c2cccc3cccnc32)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740176 570976609 /nfs/dbraw/zinc/97/66/09/570976609.db2.gz JCYUOUGNROXORG-QQXSKIMKSA-N 0 0 368.484 5.459 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 ZINC000408740318 263495124 /nfs/dbraw/zinc/49/51/24/263495124.db2.gz BAZQSQWLMMARDK-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740420 570976710 /nfs/dbraw/zinc/97/67/10/570976710.db2.gz KHSATBOQZLFWQV-QQXSKIMKSA-N 0 0 352.481 6.615 40 30 FKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740564 570976622 /nfs/dbraw/zinc/97/66/22/570976622.db2.gz LOCBYQDCPSIHHV-CVKSISIWSA-N 0 0 353.469 6.010 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1C1CCCCC1 ZINC000408740587 570977005 /nfs/dbraw/zinc/97/70/05/570977005.db2.gz LQVPMROIUVQVSK-LPYMAVHISA-N 0 0 373.338 6.432 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(C)c3C)c2C)cc1 ZINC000408740618 570977313 /nfs/dbraw/zinc/97/73/13/570977313.db2.gz COIIZFKOMGKREA-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 ZINC000408740694 570977257 /nfs/dbraw/zinc/97/72/57/570977257.db2.gz DILBDIFXXHSKIG-MFKUBSTISA-N 0 0 374.484 5.755 40 30 FKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000408740751 570977214 /nfs/dbraw/zinc/97/72/14/570977214.db2.gz MGBAXAYTFUNKCG-LFVJCYFKSA-N 0 0 361.489 5.309 40 30 FKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc1 ZINC000408740817 570977075 /nfs/dbraw/zinc/97/70/75/570977075.db2.gz IFPAKMXFXQOZGH-UYRXBGFRSA-N 0 0 366.486 5.100 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ncccc3c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740831 570977223 /nfs/dbraw/zinc/97/72/23/570977223.db2.gz MYIDMJUOZMOSKE-QQXSKIMKSA-N 0 0 368.484 5.459 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740842 570977300 /nfs/dbraw/zinc/97/73/00/570977300.db2.gz NDQXGDRJAZGOQY-YZSQISJMSA-N 0 0 373.544 6.208 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408740851 570977163 /nfs/dbraw/zinc/97/71/63/570977163.db2.gz NENOFXHCAXFGRY-JJIBRWJFSA-N 0 0 351.538 6.207 40 30 FKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1C1CCCCC1 ZINC000408741014 570977234 /nfs/dbraw/zinc/97/72/34/570977234.db2.gz NNDCDGNWWRCDSK-ZVHZXABRSA-N 0 0 365.546 6.173 40 30 FKEBRN Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741085 570977292 /nfs/dbraw/zinc/97/72/92/570977292.db2.gz NTOUUPINLVQZPM-YZSQISJMSA-N 0 0 367.496 6.064 40 30 FKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741209 263494994 /nfs/dbraw/zinc/49/49/94/263494994.db2.gz OLCKEFXQQGOZDV-QRVIBDJDSA-N 0 0 361.445 5.678 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741393 570977026 /nfs/dbraw/zinc/97/70/26/570977026.db2.gz PNDVUSKQHMAJLJ-WYMPLXKRSA-N 0 0 371.311 6.768 40 30 FKEBRN Cc1cc(/C=N\c2cccc3ccccc32)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741451 263495338 /nfs/dbraw/zinc/49/53/38/263495338.db2.gz PUIFUGJCZBVYKW-QQXSKIMKSA-N 0 0 352.481 6.615 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741619 570976957 /nfs/dbraw/zinc/97/69/57/570976957.db2.gz QZVXULAHNDUZKW-XKZIYDEJSA-N 0 0 362.433 5.065 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)cc(C)c3)c2C)cc1 ZINC000408741720 263494920 /nfs/dbraw/zinc/49/49/20/263494920.db2.gz KTPLWHABJYDDSK-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000408741822 570977189 /nfs/dbraw/zinc/97/71/89/570977189.db2.gz SCMUPEJQPITRNL-MYYYXRDXSA-N 0 0 374.484 5.638 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 ZINC000408741916 570977009 /nfs/dbraw/zinc/97/70/09/570977009.db2.gz SMOFMPWTPQLXKL-BUVRLJJBSA-N 0 0 359.473 5.113 40 30 FKEBRN Fc1ccc(COc2ccc(C=NNc3ccc4ccccc4n3)cc2)cc1 ZINC000408741952 570977195 /nfs/dbraw/zinc/97/71/95/570977195.db2.gz OLDQFZORFYTALE-MFKUBSTISA-N 0 0 371.415 5.399 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1C1CCCCC1 ZINC000408742038 570687996 /nfs/dbraw/zinc/68/79/96/570687996.db2.gz ULCNMBBSONWXIT-NLRVBDNBSA-N 0 0 356.513 7.028 40 30 FKEBRN CCOC(=O)c1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000408742212 570977661 /nfs/dbraw/zinc/97/76/61/570977661.db2.gz VCYUEYPWBUXHMO-MYYYXRDXSA-N 0 0 374.484 5.638 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408742619 570977633 /nfs/dbraw/zinc/97/76/33/570977633.db2.gz WWYJSIVIVYQQFJ-MSXFZWOLSA-N 0 0 371.311 6.768 40 30 FKEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(-c2ccccc2)cc1 ZINC000408742749 570977550 /nfs/dbraw/zinc/97/75/50/570977550.db2.gz YBWXWODYWCSCKO-OLCUMFGGSA-N 0 0 353.425 5.095 40 30 FKEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(-c2ccccc2)cc1 ZINC000408742752 570977651 /nfs/dbraw/zinc/97/76/51/570977651.db2.gz YBWXWODYWCSCKO-ZHNJOBQTSA-N 0 0 353.425 5.095 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408742757 570977674 /nfs/dbraw/zinc/97/76/74/570977674.db2.gz YCFYFURDVYXYCV-PCLIKHOPSA-N 0 0 359.517 6.034 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C)ccc3C)c2C)cc1 ZINC000408742990 263494928 /nfs/dbraw/zinc/49/49/28/263494928.db2.gz RACQEJOSKYNPHG-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN C=CCc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC ZINC000408743002 570977695 /nfs/dbraw/zinc/97/76/95/570977695.db2.gz REKKMYPYSIGZNP-SFQUDFHCSA-N 0 0 352.817 5.058 40 30 FKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 ZINC000408743049 570977502 /nfs/dbraw/zinc/97/75/02/570977502.db2.gz YXPFSGUIYXBOSN-HZHRSRAPSA-N 0 0 352.478 5.537 40 30 FKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(C3CCCCC3)c2C)ccc1Cl ZINC000408743089 570977620 /nfs/dbraw/zinc/97/76/20/570977620.db2.gz ZDYGMADBPMCLQT-YDZHTSKRSA-N 0 0 372.896 5.801 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408743172 570977686 /nfs/dbraw/zinc/97/76/86/570977686.db2.gz ZNYKORPPUINFKK-QQXSKIMKSA-N 0 0 358.529 6.759 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000408743315 570687577 /nfs/dbraw/zinc/68/75/77/570687577.db2.gz ZWVGMHIDCDAZAO-BUVRLJJBSA-N 0 0 359.473 5.113 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3C)c2C)cc1 ZINC000408743397 570977590 /nfs/dbraw/zinc/97/75/90/570977590.db2.gz SQTGBNRXQRXYQG-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000408743911 263494911 /nfs/dbraw/zinc/49/49/11/263494911.db2.gz VYCPZNLIEDVCSS-BUVRLJJBSA-N 0 0 360.457 5.194 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)cc3)c2C)cc1 ZINC000408744476 570978116 /nfs/dbraw/zinc/97/81/16/570978116.db2.gz YBNFBYIREJEPHB-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 ZINC000408744577 570977996 /nfs/dbraw/zinc/97/79/96/570977996.db2.gz YOSXQEKTEVZWOC-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc1 ZINC000408748595 263495136 /nfs/dbraw/zinc/49/51/36/263495136.db2.gz FTLMNACMHWIOSD-LICLKQGHSA-N 0 0 356.878 5.355 40 30 FKEBRN Cc1ccc(/C=C2/SC(=Nc3cc(Cl)ccc3Cl)NC2=O)cc1 ZINC000408749475 570979246 /nfs/dbraw/zinc/97/92/46/570979246.db2.gz PCYOROFXHGCJOT-OVCLIPMQSA-N 0 0 363.269 5.193 40 30 FKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(F)cc1 ZINC000408750266 570979389 /nfs/dbraw/zinc/97/93/89/570979389.db2.gz YXABCBRNNUVPEF-VGOFMYFVSA-N 0 0 367.232 5.024 40 30 FKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000408751641 570980076 /nfs/dbraw/zinc/98/00/76/570980076.db2.gz AWPGOLUMOKXWAG-ZVHZXABRSA-N 0 0 350.893 6.622 40 30 FKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1cccc(Cl)c1 ZINC000408751730 570980464 /nfs/dbraw/zinc/98/04/64/570980464.db2.gz BYFGVOMGGIYONP-MFKUBSTISA-N 0 0 358.872 6.651 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000408752572 570980536 /nfs/dbraw/zinc/98/05/36/570980536.db2.gz BUHJIBBVWFMRAU-UCQKPKSFSA-N 0 0 361.445 5.624 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1 ZINC000408752598 570980482 /nfs/dbraw/zinc/98/04/82/570980482.db2.gz FDXTVPAGSZQXQP-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408752716 570979906 /nfs/dbraw/zinc/97/99/06/570979906.db2.gz JRHSTCBDWZWUGB-YDZHTSKRSA-N 0 0 365.864 5.457 40 30 FKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc1 ZINC000408752808 570981361 /nfs/dbraw/zinc/98/13/61/570981361.db2.gz CLAAZWVGVIPXRF-RGEXLXHISA-N 0 0 364.514 5.438 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000408753177 570981926 /nfs/dbraw/zinc/98/19/26/570981926.db2.gz DZDKBJRBLQFGMK-FMCGGJTJSA-N 0 0 357.284 6.460 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408754203 570982381 /nfs/dbraw/zinc/98/23/81/570982381.db2.gz IZVOZENKGXOYDM-ZVHZXABRSA-N 0 0 350.893 6.622 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408754374 570982492 /nfs/dbraw/zinc/98/24/92/570982492.db2.gz NASTXKYXWNMWNF-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408754549 570982498 /nfs/dbraw/zinc/98/24/98/570982498.db2.gz KTOREADWZNOSMG-QHRIQVFBSA-N 0 0 369.783 5.085 40 30 FKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1cccc(Cl)c1 ZINC000408755042 570982250 /nfs/dbraw/zinc/98/22/50/570982250.db2.gz TUHZXBWOQLYALO-ZVHZXABRSA-N 0 0 374.875 5.742 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408755131 570982459 /nfs/dbraw/zinc/98/24/59/570982459.db2.gz MOAPZGVFBWOEBH-KOEQRZSOSA-N 0 0 359.517 5.999 40 30 FKEBRN CCCc1sc(N=NCc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000408755204 570982563 /nfs/dbraw/zinc/98/25/63/570982563.db2.gz ISKNWKIPFNPQKQ-LPYMAVHISA-N 0 0 369.921 6.170 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(Cl)c3)c2C)cc1 ZINC000408755636 570690963 /nfs/dbraw/zinc/69/09/63/570690963.db2.gz RIOIGTJPRUWZLG-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1cccc(C)c1 ZINC000408755975 570982420 /nfs/dbraw/zinc/98/24/20/570982420.db2.gz SPVVVEKBHHOPQD-XKZIYDEJSA-N 0 0 367.290 5.916 40 30 FKEBRN COc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl ZINC000408755983 570982332 /nfs/dbraw/zinc/98/23/32/570982332.db2.gz XBWPADUQOLBDSD-FSJBWODESA-N 0 0 373.283 6.160 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(OC)c(Cl)c3)c2C)cc1 ZINC000408755988 570982573 /nfs/dbraw/zinc/98/25/73/570982573.db2.gz XBYULMRWWZDMPK-ZVHZXABRSA-N 0 0 366.892 6.069 40 30 FKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000408756893 570982934 /nfs/dbraw/zinc/98/29/34/570982934.db2.gz VANFNOMBRSZNME-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408756949 570983055 /nfs/dbraw/zinc/98/30/55/570983055.db2.gz UXBIQMRNSCQYGM-YDZHTSKRSA-N 0 0 352.865 5.815 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408757398 570982954 /nfs/dbraw/zinc/98/29/54/570982954.db2.gz ZLJRQIDATQDJHU-YDZHTSKRSA-N 0 0 350.849 5.701 40 30 FKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 ZINC000408757466 570983054 /nfs/dbraw/zinc/98/30/54/570983054.db2.gz XFGVBPXMHPCEPI-MTJSOVHGSA-N 0 0 353.809 5.406 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3OC)c2C)cc1 ZINC000408758049 570983374 /nfs/dbraw/zinc/98/33/74/570983374.db2.gz GDEMHPBYJRVVML-ZVHZXABRSA-N 0 0 366.892 6.069 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)cc1 ZINC000408758201 571152401 /nfs/dbraw/zinc/15/24/01/571152401.db2.gz HLWTWQUYSJFNEM-WNIQNGNASA-N 0 0 358.529 6.921 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)cc1 ZINC000408758203 570983781 /nfs/dbraw/zinc/98/37/81/570983781.db2.gz HLWTWQUYSJFNEM-WYZSWBMLSA-N 0 0 358.529 6.921 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408758445 570603587 /nfs/dbraw/zinc/60/35/87/570603587.db2.gz KBJYTTBEKVYUBJ-UCQKPKSFSA-N 0 0 352.865 5.897 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)cc1 ZINC000408758464 570603917 /nfs/dbraw/zinc/60/39/17/570603917.db2.gz KKNKNVZTUNHUNP-QRVIBDJDSA-N 0 0 352.865 5.766 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000408759045 570982980 /nfs/dbraw/zinc/98/29/80/570982980.db2.gz WXGWGTGTAWPPIU-BUVRLJJBSA-N 0 0 360.457 5.194 40 30 FKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408759087 570983408 /nfs/dbraw/zinc/98/34/08/570983408.db2.gz XQECFBXDTJRZOI-MTJSOVHGSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cccc(Cl)c1 ZINC000408759315 570619170 /nfs/dbraw/zinc/61/91/70/570619170.db2.gz CCDDCZYSERROCC-JJFYIABZSA-N 0 0 359.256 5.857 40 30 FKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408759476 570619198 /nfs/dbraw/zinc/61/91/98/570619198.db2.gz FRMSAVXEWDAQSQ-XKZIYDEJSA-N 0 0 363.417 5.070 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1cccc(C)c1 ZINC000408759667 570619303 /nfs/dbraw/zinc/61/93/03/570619303.db2.gz JFALWCJJMSNFPO-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc4ncccc4c3)c2C)cc1 ZINC000408759691 570619213 /nfs/dbraw/zinc/61/92/13/570619213.db2.gz JSWLQMVRVFDATO-WGOQTCKBSA-N 0 0 353.469 5.955 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(C)c1 ZINC000408759828 570619828 /nfs/dbraw/zinc/61/98/28/570619828.db2.gz MLAPHPFFHVCJEG-FMCGGJTJSA-N 0 0 357.284 6.460 40 30 FKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408760033 570619655 /nfs/dbraw/zinc/61/96/55/570619655.db2.gz QHRSUCHJCOMEKB-UCQKPKSFSA-N 0 0 352.865 5.897 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408760134 570619854 /nfs/dbraw/zinc/61/98/54/570619854.db2.gz SEUPRWMMYCOIPU-CIAFOILYSA-N 0 0 368.824 5.102 40 30 FKEBRN COC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408760179 570619738 /nfs/dbraw/zinc/61/97/38/570619738.db2.gz TVYAOUFKVPFMKQ-QRVIBDJDSA-N 0 0 366.848 5.285 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc4c5c(cccc53)CC4)S2)cc1 ZINC000408760288 570985696 /nfs/dbraw/zinc/98/56/96/570985696.db2.gz WEDOZAIFUFKYJN-MOSHPQCFSA-N 0 0 370.477 5.138 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1 ZINC000408760301 570619653 /nfs/dbraw/zinc/61/96/53/570619653.db2.gz WHVXJGRVJMDPJH-MYYYXRDXSA-N 0 0 358.872 6.651 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3C)c2C)cc1 ZINC000408760313 570985893 /nfs/dbraw/zinc/98/58/93/570985893.db2.gz WMWONKUIMYTBFE-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1cccc(C)c1 ZINC000408760356 570620154 /nfs/dbraw/zinc/62/01/54/570620154.db2.gz XFDTWWVYGZCMSM-QRVIBDJDSA-N 0 0 361.445 5.678 40 30 FKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000408760410 570985884 /nfs/dbraw/zinc/98/58/84/570985884.db2.gz YDVDRKHJLAAEOG-IWIPYMOSSA-N 0 0 360.457 5.330 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 ZINC000408760457 570620105 /nfs/dbraw/zinc/62/01/05/570620105.db2.gz YXIAEGKSPMVVQS-PCLIKHOPSA-N 0 0 374.484 5.584 40 30 FKEBRN Cc1cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c(C)n1-c1cccc(Cl)c1 ZINC000408760465 570620117 /nfs/dbraw/zinc/62/01/17/570620117.db2.gz ZAGNSVMJMGZFLM-SRZZPIQSSA-N 0 0 369.808 5.112 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cccc(C(=O)OC)c3C)c2C)cc1 ZINC000408760680 570620152 /nfs/dbraw/zinc/62/01/52/570620152.db2.gz CYNNLIJJNYVRIY-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c2C)cc1 ZINC000408760690 570620158 /nfs/dbraw/zinc/62/01/58/570620158.db2.gz DGAZPYKPMATYRD-OEAKJJBVSA-N 0 0 361.445 5.624 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408760743 570620179 /nfs/dbraw/zinc/62/01/79/570620179.db2.gz FHTMKJQMXAAKQQ-FOKLQQMPSA-N 0 0 361.247 6.291 40 30 FKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)c1 ZINC000408760772 570620230 /nfs/dbraw/zinc/62/02/30/570620230.db2.gz FUJWTQQKVQBJRP-XYGWBWBKSA-N 0 0 374.484 5.584 40 30 FKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3c(C)cc(C)cc3C)S2)cc1 ZINC000408760840 570620714 /nfs/dbraw/zinc/62/07/14/570620714.db2.gz AGXACMQVVKSBJC-UNOMPAQXSA-N 0 0 350.487 5.066 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc(C(=O)OC)c3)c2C)cc1 ZINC000408761150 570620682 /nfs/dbraw/zinc/62/06/82/570620682.db2.gz CIVWMZUTMVKSEP-IWIPYMOSSA-N 0 0 360.457 5.194 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408761180 570984892 /nfs/dbraw/zinc/98/48/92/570984892.db2.gz CCRRHCIGLOYKBO-FYHAJLKWSA-N 0 0 364.920 7.012 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408761181 570620659 /nfs/dbraw/zinc/62/06/59/570620659.db2.gz CCRRHCIGLOYKBO-JZCUADNKSA-N 0 0 364.920 7.012 40 30 FKEBRN CCc1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000408761196 570620656 /nfs/dbraw/zinc/62/06/56/570620656.db2.gz CVNWVCRSTNWPAZ-UHFFFAOYSA-N 0 0 355.437 5.119 40 30 FKEBRN CC(C)c1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408761404 570984698 /nfs/dbraw/zinc/98/46/98/570984698.db2.gz DZCRBKADOMNNEM-DYXWJJEUSA-N 0 0 359.429 5.416 40 30 FKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1cccc(Cl)c1 ZINC000408761681 570984989 /nfs/dbraw/zinc/98/49/89/570984989.db2.gz ASBVDIOEBCXLOV-AFUMVMLFSA-N 0 0 359.860 6.046 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408761746 570984950 /nfs/dbraw/zinc/98/49/50/570984950.db2.gz HGQSKLULWUFSNK-PCLIKHOPSA-N 0 0 364.920 6.841 40 30 FKEBRN COc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl ZINC000408761774 570620762 /nfs/dbraw/zinc/62/07/62/570620762.db2.gz BKMMWIFDVYIBKH-YDZHTSKRSA-N 0 0 352.865 5.815 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000408761892 570984958 /nfs/dbraw/zinc/98/49/58/570984958.db2.gz HRWQXAPULHNATO-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(C)c1 ZINC000408761900 570984715 /nfs/dbraw/zinc/98/47/15/570984715.db2.gz HTIPPOULVZRHIO-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408762115 570985276 /nfs/dbraw/zinc/98/52/76/570985276.db2.gz JEXHVHRZKRNGDJ-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc(C)c1 ZINC000408762118 570985438 /nfs/dbraw/zinc/98/54/38/570985438.db2.gz NBLBOHWAPVFRJU-OVVQPSECSA-N 0 0 364.492 6.820 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cc(Cl)ccc3C)c2C)cc1 ZINC000408762146 570985245 /nfs/dbraw/zinc/98/52/45/570985245.db2.gz CYRVYGCYOOZGAX-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3[N+](=O)[O-])c2C)cc1 ZINC000408762842 570985408 /nfs/dbraw/zinc/98/54/08/570985408.db2.gz MPQHHHKLGZFAKJ-OEAKJJBVSA-N 0 0 361.445 5.624 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 ZINC000408762994 570986992 /nfs/dbraw/zinc/98/69/92/570986992.db2.gz DEAQLFVZIRBIMH-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408763005 570987049 /nfs/dbraw/zinc/98/70/49/570987049.db2.gz GUORRQYFQATBJV-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408763528 570986111 /nfs/dbraw/zinc/98/61/11/570986111.db2.gz PLKIZANCECVGFY-QRVIBDJDSA-N 0 0 366.848 5.285 40 30 FKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1cccc(C)c1 ZINC000408763736 570986453 /nfs/dbraw/zinc/98/64/53/570986453.db2.gz JVEJDRFXLJLWQI-BUVRLJJBSA-N 0 0 354.457 5.397 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408764010 570986373 /nfs/dbraw/zinc/98/63/73/570986373.db2.gz VNTRVQGERIHYTI-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN CSc1ccc([C@@H]2Nc3c(C#N)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408764262 570986673 /nfs/dbraw/zinc/98/66/73/570986673.db2.gz QVEFVEBWYYWZBN-AOIWGVFYSA-N 0 0 363.442 5.015 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408764324 570986510 /nfs/dbraw/zinc/98/65/10/570986510.db2.gz RCGGAAYEOIQQLE-MYYYXRDXSA-N 0 0 364.920 6.796 40 30 FKEBRN N#Cc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000408764426 570986553 /nfs/dbraw/zinc/98/65/53/570986553.db2.gz INEAUJDMDLSZJO-RFWXGWTQSA-N 0 0 367.408 5.446 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408764441 570986370 /nfs/dbraw/zinc/98/63/70/570986370.db2.gz IQSGJZKVSZYCII-FSJBWODESA-N 0 0 373.283 6.160 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(Cl)c3)c2C)cc1 ZINC000408764608 570986398 /nfs/dbraw/zinc/98/63/98/570986398.db2.gz XUXDBRPSFOICSP-ZMOGYAJESA-N 0 0 354.856 6.200 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(C)c1 ZINC000408764644 570680623 /nfs/dbraw/zinc/68/06/23/570680623.db2.gz SEHOULYHLJOFRE-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN CCc1ccc(-n2c(C)cc(C=NNc3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408764657 570986912 /nfs/dbraw/zinc/98/69/12/570986912.db2.gz XZZDRLQXBMEXBI-HYARGMPZSA-N 0 0 362.433 5.011 40 30 FKEBRN CCc1ccc(-n2c(C)cc(C=NNc3ccc4ccccc4n3)c2C)cc1 ZINC000408764769 570986875 /nfs/dbraw/zinc/98/68/75/570986875.db2.gz YGHBVPUWBHUJJD-PCLIKHOPSA-N 0 0 368.484 5.651 40 30 FKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1C ZINC000408764785 570986905 /nfs/dbraw/zinc/98/69/05/570986905.db2.gz NEHVKJCYWZHAGP-ZVHZXABRSA-N 0 0 360.457 5.248 40 30 FKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408764934 570987035 /nfs/dbraw/zinc/98/70/35/570987035.db2.gz NWGMXPITZBNSLV-UCQKPKSFSA-N 0 0 352.865 5.375 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3C(=O)OC)c2C)cc1 ZINC000408765020 570987346 /nfs/dbraw/zinc/98/73/46/570987346.db2.gz VXBJRPGRSYDZBQ-IWIPYMOSSA-N 0 0 360.457 5.194 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408765197 570987752 /nfs/dbraw/zinc/98/77/52/570987752.db2.gz ZYVZWCAMUVUWDD-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)cc1 ZINC000408765228 570987785 /nfs/dbraw/zinc/98/77/85/570987785.db2.gz KSTIMLBGHHOLIK-ONUIUJJFSA-N 0 0 352.481 6.560 40 30 FKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1cccc(C)c1 ZINC000408765722 570988731 /nfs/dbraw/zinc/98/87/31/570988731.db2.gz NKIGETKTEGKPRS-FMCGGJTJSA-N 0 0 357.284 6.460 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc(Cl)c3Cl)c2C)cc1 ZINC000408766762 570988744 /nfs/dbraw/zinc/98/87/44/570988744.db2.gz RNOXQEXSDDHMBC-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1cccc(C)c1 ZINC000408767265 570988748 /nfs/dbraw/zinc/98/87/48/570988748.db2.gz YSBYADGRBOFRCY-OVVQPSECSA-N 0 0 370.540 7.201 40 30 FKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3Cl)c2C)cc1 ZINC000408767296 570988754 /nfs/dbraw/zinc/98/87/54/570988754.db2.gz ZAQKREAIAXCGFU-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1cccc(Cl)c1 ZINC000408767380 570988737 /nfs/dbraw/zinc/98/87/37/570988737.db2.gz WIWVSSHYEGXTOO-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408767464 570988715 /nfs/dbraw/zinc/98/87/15/570988715.db2.gz XZZJPZHTMPGVHK-LPYMAVHISA-N 0 0 354.906 6.220 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408767674 570989136 /nfs/dbraw/zinc/98/91/36/570989136.db2.gz ZTVVZWFKJMPXQF-YDZHTSKRSA-N 0 0 350.849 5.701 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)c1 ZINC000408767878 570989155 /nfs/dbraw/zinc/98/91/55/570989155.db2.gz ADJDWZNSVPFWGB-ZMOGYAJESA-N 0 0 364.420 5.079 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(Cl)cc1 ZINC000408768295 570685181 /nfs/dbraw/zinc/68/51/81/570685181.db2.gz VSWJYPZIVCOMMR-JJFYIABZSA-N 0 0 359.256 5.857 40 30 FKEBRN COc1ccc(/N=C/c2c3cc(OC)ccc3[nH]c2-c2ccccc2)cc1 ZINC000408769340 570685177 /nfs/dbraw/zinc/68/51/77/570685177.db2.gz RLBJCLYTVLBOBY-BUVRLJJBSA-N 0 0 356.425 5.603 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)CC(C)(C)CC3=O)c2c1 ZINC000408769599 570685249 /nfs/dbraw/zinc/68/52/49/570685249.db2.gz WLUMPNRCVWHEHP-UHFFFAOYSA-N 0 0 373.452 5.185 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 ZINC000408769717 570685217 /nfs/dbraw/zinc/68/52/17/570685217.db2.gz ZZRVBGZJSGJEGJ-PCLIKHOPSA-N 0 0 374.484 5.584 40 30 FKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1 ZINC000408770882 570685190 /nfs/dbraw/zinc/68/51/90/570685190.db2.gz BXCDUICXIHSVJW-FMCGGJTJSA-N 0 0 365.408 5.509 40 30 FKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000408770974 570685153 /nfs/dbraw/zinc/68/51/53/570685153.db2.gz BLMOGOMRLLNYIC-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408770979 570685064 /nfs/dbraw/zinc/68/50/64/570685064.db2.gz BNYFHLNOIVPYKW-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)cc1 ZINC000408771108 570990679 /nfs/dbraw/zinc/99/06/79/570990679.db2.gz FIKVWDFPPZYNIP-OYKKKHCWSA-N 0 0 364.420 5.161 40 30 FKEBRN Cc1cccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 ZINC000408771885 570685579 /nfs/dbraw/zinc/68/55/79/570685579.db2.gz JVPSAEZEPMJOCE-ZROIWOOFSA-N 0 0 363.269 5.193 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408772423 570685452 /nfs/dbraw/zinc/68/54/52/570685452.db2.gz LOLHHJZCMNRMCS-YDZHTSKRSA-N 0 0 350.849 5.701 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408772479 570685548 /nfs/dbraw/zinc/68/55/48/570685548.db2.gz LWSMEAJHFNBINE-WPWMEQJKSA-N 0 0 374.503 7.032 40 30 FKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408772617 570685606 /nfs/dbraw/zinc/68/56/06/570685606.db2.gz DQNAWTWXODGCSJ-OEAKJJBVSA-N 0 0 361.445 5.876 40 30 FKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccc(F)cc1 ZINC000408772753 570991954 /nfs/dbraw/zinc/99/19/54/570991954.db2.gz QYVRBVCNHNXXTI-ZVHZXABRSA-N 0 0 358.420 5.227 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408773023 570685492 /nfs/dbraw/zinc/68/54/92/570685492.db2.gz ORADMQBUBAKFAZ-FYHAJLKWSA-N 0 0 364.920 7.012 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408773024 570992098 /nfs/dbraw/zinc/99/20/98/570992098.db2.gz ORADMQBUBAKFAZ-JZCUADNKSA-N 0 0 364.920 7.012 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408773339 570685429 /nfs/dbraw/zinc/68/54/29/570685429.db2.gz QQDNXPXYBBZGMR-MTJSOVHGSA-N 0 0 353.809 5.406 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)c(C)c2)c(C)n1-c1ccccc1 ZINC000408773517 570685612 /nfs/dbraw/zinc/68/56/12/570685612.db2.gz RDRJBICQGHUHKB-LPYMAVHISA-N 0 0 367.290 5.916 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C ZINC000408773990 570685505 /nfs/dbraw/zinc/68/55/05/570685505.db2.gz UTSJVHAUSXRBHE-FYJGNVAPSA-N 0 0 365.458 5.452 40 30 FKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000408774064 570685638 /nfs/dbraw/zinc/68/56/38/570685638.db2.gz OCEHUBOPUTWKMN-ZVHZXABRSA-N 0 0 350.893 6.622 40 30 FKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccccc2)sc2c1CCCC2 ZINC000408774640 570685541 /nfs/dbraw/zinc/68/55/41/570685541.db2.gz CQMJKHGKNBMZHV-XYGWBWBKSA-N 0 0 374.509 5.308 40 30 FKEBRN COC(=O)c1ccccc1/N=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408774685 570685642 /nfs/dbraw/zinc/68/56/42/570685642.db2.gz QCWCTIJQIPNLHM-QRVIBDJDSA-N 0 0 366.848 5.285 40 30 FKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1C ZINC000408775291 570991764 /nfs/dbraw/zinc/99/17/64/570991764.db2.gz GHBJDFXLHJSKBR-ZMOGYAJESA-N 0 0 364.420 5.079 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccccc3OC)c2c1 ZINC000408775523 570685919 /nfs/dbraw/zinc/68/59/19/570685919.db2.gz TZCBAHMFSXLPKL-IWIPYMOSSA-N 0 0 356.425 5.603 40 30 FKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000408775773 570685894 /nfs/dbraw/zinc/68/58/94/570685894.db2.gz UVQZCFULBRJORH-BKUYFWCQSA-N 0 0 359.311 5.608 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(C)cc3C)c2c1 ZINC000408775839 570991796 /nfs/dbraw/zinc/99/17/96/570991796.db2.gz KKFQBAQPCDYBMH-MFKUBSTISA-N 0 0 354.453 6.211 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408776088 570685222 /nfs/dbraw/zinc/68/52/22/570685222.db2.gz LQFNNIWCKOLZBQ-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)cc1 ZINC000408776198 570685568 /nfs/dbraw/zinc/68/55/68/570685568.db2.gz NEUYEOPZYZYJLJ-HAHDFKILSA-N 0 0 352.478 5.022 40 30 FKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408776235 570685670 /nfs/dbraw/zinc/68/56/70/570685670.db2.gz XFHRCTIGBYISIA-UCQKPKSFSA-N 0 0 352.865 5.375 40 30 FKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408776255 570992661 /nfs/dbraw/zinc/99/26/61/570992661.db2.gz XMXCTKKNOYMQMA-WSDLNYQXSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408776457 570685435 /nfs/dbraw/zinc/68/54/35/570685435.db2.gz OWPJFYRRGQNMPI-MYYYXRDXSA-N 0 0 358.872 6.651 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccccc1 ZINC000408776520 570992725 /nfs/dbraw/zinc/99/27/25/570992725.db2.gz PJLVKVFIHDGNPI-BKUYFWCQSA-N 0 0 353.263 5.607 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(Cl)cc3)c2c1 ZINC000408776743 570992594 /nfs/dbraw/zinc/99/25/94/570992594.db2.gz QXUNOERFTRGOFP-ZVHZXABRSA-N 0 0 360.844 6.248 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cc(C)ccc3C)c2c1 ZINC000408776749 570685510 /nfs/dbraw/zinc/68/55/10/570685510.db2.gz YONUSKUSJLGGOP-MFKUBSTISA-N 0 0 354.453 6.211 40 30 FKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 ZINC000408777072 570685990 /nfs/dbraw/zinc/68/59/90/570685990.db2.gz VEGPYHBEPNQTTP-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408777074 570992276 /nfs/dbraw/zinc/99/22/76/570992276.db2.gz VESNGRBWOYAERQ-SSDVNMTOSA-N 0 0 371.799 5.545 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccccc1 ZINC000408778682 570992421 /nfs/dbraw/zinc/99/24/21/570992421.db2.gz WLXDVYGESYICDG-XKZIYDEJSA-N 0 0 367.290 5.916 40 30 FKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408778740 570686367 /nfs/dbraw/zinc/68/63/67/570686367.db2.gz XYWCOYZWMLXMJL-FYJGNVAPSA-N 0 0 365.458 5.475 40 30 FKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1C1CCCC1 ZINC000408778803 570992682 /nfs/dbraw/zinc/99/26/82/570992682.db2.gz LHJHUPMPCUQFKL-UYRXBGFRSA-N 0 0 365.502 5.112 40 30 FKEBRN Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1 ZINC000408779001 570686519 /nfs/dbraw/zinc/68/65/19/570686519.db2.gz ORHWPAGXSNOIBX-JJFYIABZSA-N 0 0 352.821 5.227 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(F)cc1 ZINC000408779289 570686973 /nfs/dbraw/zinc/68/69/73/570686973.db2.gz UGZKCRMYMTWIIT-UUYOSTAYSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408779313 570686898 /nfs/dbraw/zinc/68/68/98/570686898.db2.gz UYZLKMYEJLPXIA-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(C)c(C)c3)c2c1 ZINC000408779649 570686791 /nfs/dbraw/zinc/68/67/91/570686791.db2.gz ZZXKSDUYCJYRFU-MYYYXRDXSA-N 0 0 354.453 6.211 40 30 FKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 ZINC000408779793 570686857 /nfs/dbraw/zinc/68/68/57/570686857.db2.gz KLCJQTXOQYMJHD-LGUFXXKBSA-N 0 0 365.480 6.266 40 30 FKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000408780274 570686951 /nfs/dbraw/zinc/68/69/51/570686951.db2.gz ALHFRYIUDDEPHC-ZMOGYAJESA-N 0 0 364.420 5.079 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408780347 570686892 /nfs/dbraw/zinc/68/68/92/570686892.db2.gz XQHKRNAWRRGFPX-FSJBWODESA-N 0 0 373.283 6.160 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccccc1 ZINC000408780544 570993018 /nfs/dbraw/zinc/99/30/18/570993018.db2.gz DEIYZPPYMAKXOH-NLRVBDNBSA-N 0 0 356.513 6.892 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408780639 570686862 /nfs/dbraw/zinc/68/68/62/570686862.db2.gz GVPNNFHGPSECIP-SSDVNMTOSA-N 0 0 355.344 5.031 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cccc([N+](=O)[O-])c3)c2c1 ZINC000408782003 570994017 /nfs/dbraw/zinc/99/40/17/570994017.db2.gz FHJZMQLRHLZVGY-OEAKJJBVSA-N 0 0 371.396 5.502 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408782286 570686798 /nfs/dbraw/zinc/68/67/98/570686798.db2.gz GVBDZYFFNAVTGE-FSJBWODESA-N 0 0 357.284 6.460 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000408782406 570686878 /nfs/dbraw/zinc/68/68/78/570686878.db2.gz HVKFBPCFLWYMDG-KSEXSDGBSA-N 0 0 361.247 6.291 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408783106 570686959 /nfs/dbraw/zinc/68/69/59/570686959.db2.gz NEPIKELJYVKYOM-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1 ZINC000408783247 570686762 /nfs/dbraw/zinc/68/67/62/570686762.db2.gz LSNDDZIZGQGWLX-KSEXSDGBSA-N 0 0 361.247 6.291 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000408784149 570687298 /nfs/dbraw/zinc/68/72/98/570687298.db2.gz SRQIBCAOAJNOSU-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408784170 570687255 /nfs/dbraw/zinc/68/72/55/570687255.db2.gz TWLMTLNUMPSCCU-WSDLNYQXSA-N 0 0 351.381 5.200 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408784450 570995299 /nfs/dbraw/zinc/99/52/99/570995299.db2.gz CAGREFGKVBAXJW-FSJBWODESA-N 0 0 356.828 5.646 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408784768 570687217 /nfs/dbraw/zinc/68/72/17/570687217.db2.gz SOPKMELGWVOFCB-KOEQRZSOSA-N 0 0 374.484 5.802 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Br)cc1 ZINC000408784821 570687346 /nfs/dbraw/zinc/68/73/46/570687346.db2.gz TVZSBDIOBMMEMK-UUYOSTAYSA-N 0 0 371.253 5.746 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408785727 263496136 /nfs/dbraw/zinc/49/61/36/263496136.db2.gz YPGBMVCLBBUZEB-FOKLQQMPSA-N 0 0 361.247 6.291 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408786783 570687777 /nfs/dbraw/zinc/68/77/77/570687777.db2.gz NOHQZTLBOUYIAX-WSDLNYQXSA-N 0 0 367.836 5.715 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000408787292 570687821 /nfs/dbraw/zinc/68/78/21/570687821.db2.gz WPSUGPSHBOBHSL-NLRVBDNBSA-N 0 0 365.480 6.588 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000408788248 570995419 /nfs/dbraw/zinc/99/54/19/570995419.db2.gz DAAXCFUHSYJTII-OEAKJJBVSA-N 0 0 371.396 5.502 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408788881 570687407 /nfs/dbraw/zinc/68/74/07/570687407.db2.gz GEARYFJNJBHYHJ-PCLIKHOPSA-N 0 0 364.920 6.841 40 30 FKEBRN COc1ccc2[nH]c(-c3ccccc3)c(C=Nc3ccc(C(C)=O)cc3)c2c1 ZINC000408789596 263496181 /nfs/dbraw/zinc/49/61/81/263496181.db2.gz MQFPVBIDIMLOOZ-MYYYXRDXSA-N 0 0 368.436 5.797 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000408790016 570996023 /nfs/dbraw/zinc/99/60/23/570996023.db2.gz QBSBUWYKRRQMNT-WSDLNYQXSA-N 0 0 351.381 5.200 40 30 FKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408790429 570687230 /nfs/dbraw/zinc/68/72/30/570687230.db2.gz RHCZWQRTSTWQHS-ONUIUJJFSA-N 0 0 367.496 6.252 40 30 FKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000408791199 570687832 /nfs/dbraw/zinc/68/78/32/570687832.db2.gz WOIWFLLAUGVTTC-HYARGMPZSA-N 0 0 367.290 5.476 40 30 FKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408791260 570995798 /nfs/dbraw/zinc/99/57/98/570995798.db2.gz XUBQIMUEZUQGRN-LPYMAVHISA-N 0 0 354.906 6.220 40 30 FKEBRN O=C(COc1ccc(/C=N\c2ccccc2Cl)cc1)Nc1ccccc1 ZINC000408803097 570688214 /nfs/dbraw/zinc/68/82/14/570688214.db2.gz LFKIMNGSFBKIHR-UCQKPKSFSA-N 0 0 364.832 5.108 40 30 FKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(C)c(C)c3)cc2)cc1 ZINC000408805180 570997920 /nfs/dbraw/zinc/99/79/20/570997920.db2.gz JFPUAVDVZDIGCX-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN O=C(COc1ccc(/C=N\c2cccc(Cl)c2)cc1)Nc1ccccc1 ZINC000408806008 570688368 /nfs/dbraw/zinc/68/83/68/570688368.db2.gz DRLJDBSVTKBHDG-UCQKPKSFSA-N 0 0 364.832 5.108 40 30 FKEBRN C=CCn1c(C)c(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000408806697 570688243 /nfs/dbraw/zinc/68/82/43/570688243.db2.gz BBPMEXDRRKGQLV-LGUFXXKBSA-N 0 0 365.480 6.308 40 30 FKEBRN Clc1cccc(COc2ccc(Cl)cc2C=NNc2ccccc2)c1 ZINC000408807083 570997749 /nfs/dbraw/zinc/99/77/49/570997749.db2.gz BZHNQYLDEZNPHP-YDZHTSKRSA-N 0 0 371.267 6.018 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C ZINC000408807713 570688336 /nfs/dbraw/zinc/68/83/36/570688336.db2.gz OLNPOCLXXQWFIM-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1cccc(Cl)c1 ZINC000408810100 570998659 /nfs/dbraw/zinc/99/86/59/570998659.db2.gz JWCQEHBDLSCOGL-UHFFFAOYSA-N 0 0 374.823 5.382 40 30 FKEBRN O=C1c2ccccc2S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408811203 263497680 /nfs/dbraw/zinc/49/76/80/263497680.db2.gz KSWBDPSHXKNVBG-UCQKPKSFSA-N 0 0 367.473 6.019 40 30 FKEBRN CCOc1ccc(Cl)cc1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408811239 570998738 /nfs/dbraw/zinc/99/87/38/570998738.db2.gz AFVFYGDTAWPGCE-UHFFFAOYSA-N 0 0 363.848 5.060 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/N(c1ccccc1)c1ccccc1 ZINC000408812132 570689129 /nfs/dbraw/zinc/68/91/29/570689129.db2.gz BIGPVVXGRAIRCX-XQNSMLJCSA-N 0 0 350.849 5.911 40 30 FKEBRN O=C(COc1ccc(/C=N\c2ccccc2)cc1)Nc1cccc(Cl)c1 ZINC000408812469 570689323 /nfs/dbraw/zinc/68/93/23/570689323.db2.gz OWIKBVRMKUVFIH-UCQKPKSFSA-N 0 0 364.832 5.108 40 30 FKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC ZINC000408812766 570689299 /nfs/dbraw/zinc/68/92/99/570689299.db2.gz NTQZRFITLWKCRS-RGEXLXHISA-N 0 0 365.454 5.055 40 30 FKEBRN O=C1/C(=C/c2ccncc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408812977 263497263 /nfs/dbraw/zinc/49/72/63/263497263.db2.gz CKVDWQUKBWALOW-GWPSIESESA-N 0 0 363.486 5.018 40 30 FKEBRN COc1ccc(Oc2ccc(/N=C\c3c(C)n(C)c4ccccc34)cc2)cc1 ZINC000408813217 570688480 /nfs/dbraw/zinc/68/84/80/570688480.db2.gz OTSGGVAQNMHING-XYGWBWBKSA-N 0 0 370.452 6.038 40 30 FKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000408818122 571001669 /nfs/dbraw/zinc/00/16/69/571001669.db2.gz XYLPFXQZCGEQLQ-MFKUBSTISA-N 0 0 370.477 5.414 40 30 FKEBRN O=C(COc1ccc(/C=N\c2ccccc2)cc1)Nc1ccccc1Cl ZINC000408818482 570689503 /nfs/dbraw/zinc/68/95/03/570689503.db2.gz VOLXDBFDVVPVGU-UCQKPKSFSA-N 0 0 364.832 5.108 40 30 FKEBRN Brc1cc(/C=N\c2ccc3ccccc3c2)oc1N1CCCC1 ZINC000408818931 263498554 /nfs/dbraw/zinc/49/85/54/263498554.db2.gz ZGXFDZOZAHAFDP-BKUYFWCQSA-N 0 0 369.262 5.546 40 30 FKEBRN N#Cc1ccccc1Cn1cc(C=NNc2ccccc2)c2ccccc21 ZINC000408819366 263498333 /nfs/dbraw/zinc/49/83/33/263498333.db2.gz ROUVPTPJOVPEOU-MFKUBSTISA-N 0 0 350.425 5.007 40 30 FKEBRN Clc1ccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)cc1 ZINC000408819408 570689935 /nfs/dbraw/zinc/68/99/35/570689935.db2.gz RYCPPEVYJQXIPH-ZVHZXABRSA-N 0 0 359.860 5.789 40 30 FKEBRN C#CCOc1c(Cl)cc(/C=C2\Sc3ccccc3C2=O)cc1OCC ZINC000408820680 571002956 /nfs/dbraw/zinc/00/29/56/571002956.db2.gz ZGDLGRWWGUAUAT-PDGQHHTCSA-N 0 0 370.857 5.080 40 30 FKEBRN CCOC(=O)c1c(/N=C/c2cn(C)c3ccccc23)sc2c1CCCC2 ZINC000408820861 570689921 /nfs/dbraw/zinc/68/99/21/570689921.db2.gz ZXAWUYIYICNDOV-WSDLNYQXSA-N 0 0 366.486 5.046 40 30 FKEBRN COc1cccc2c(/C=N/c3ccc([N+](=O)[O-])cc3)c(-c3ccccc3)[nH]c21 ZINC000408825660 570690502 /nfs/dbraw/zinc/69/05/02/570690502.db2.gz FHVPKMIPVMMXGX-OEAKJJBVSA-N 0 0 371.396 5.502 40 30 FKEBRN COc1cccc2c(/C=N/c3cccc([N+](=O)[O-])c3)c(-c3ccccc3)[nH]c21 ZINC000408837497 571010765 /nfs/dbraw/zinc/01/07/65/571010765.db2.gz HFCTZPTXWJGLIZ-OEAKJJBVSA-N 0 0 371.396 5.502 40 30 FKEBRN COc1cccc2c(/C=N\c3ccccc3OC)c(-c3ccccc3)[nH]c21 ZINC000408840788 571012550 /nfs/dbraw/zinc/01/25/50/571012550.db2.gz FWJHIVDQYZFUNZ-IWIPYMOSSA-N 0 0 356.425 5.603 40 30 FKEBRN COc1ccc(/N=C/c2c3cccc(OC)c3[nH]c2-c2ccccc2)cc1 ZINC000408841214 570690773 /nfs/dbraw/zinc/69/07/73/570690773.db2.gz DCYRYHXIKMFVRJ-BUVRLJJBSA-N 0 0 356.425 5.603 40 30 FKEBRN COc1cccc2c(C=C3C(=O)CC(C)(C)CC3=O)c(-c3ccccc3)[nH]c21 ZINC000408841361 571012438 /nfs/dbraw/zinc/01/24/38/571012438.db2.gz IKWWCPNUKOUPIO-UHFFFAOYSA-N 0 0 373.452 5.185 40 30 FKEBRN COc1cccc2c(/C=N/c3cc(C)ccc3C)c(-c3ccccc3)[nH]c21 ZINC000408842014 263499556 /nfs/dbraw/zinc/49/95/56/263499556.db2.gz NHPBLVBVGHLTKJ-MFKUBSTISA-N 0 0 354.453 6.211 40 30 FKEBRN C=CCc1cc(/C=N\c2ccc(Br)cc2C)cc(OCC)c1O ZINC000408842587 570691182 /nfs/dbraw/zinc/69/11/82/570691182.db2.gz AWKRSGCDNNCFQV-MTJSOVHGSA-N 0 0 374.278 5.341 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc([N+](=O)[O-])cc2)c1C ZINC000408842603 570691328 /nfs/dbraw/zinc/69/13/28/570691328.db2.gz BEAAKTCTXWNZIY-UCQKPKSFSA-N 0 0 361.445 5.624 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(C=Nc2cccc(C(C)=O)c2)c1C ZINC000408843160 571013429 /nfs/dbraw/zinc/01/34/29/571013429.db2.gz DVCXKCMKPRIFII-MFKUBSTISA-N 0 0 358.485 5.918 40 30 FKEBRN C=CCc1cc(/C=N\c2ccc(Cl)cc2Cl)cc(OCC)c1O ZINC000408843273 570691939 /nfs/dbraw/zinc/69/19/39/570691939.db2.gz CZAGLEBHJOFYKZ-NHDPSOOVSA-N 0 0 350.245 5.577 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408843863 571013106 /nfs/dbraw/zinc/01/31/06/571013106.db2.gz AHLILYUSIVNOQQ-OYKKKHCWSA-N 0 0 364.876 5.982 40 30 FKEBRN Clc1ccccc1/N=C\c1cc(Br)c(N2CCCC2)o1 ZINC000408844553 570691708 /nfs/dbraw/zinc/69/17/08/570691708.db2.gz DPISZPVAOKCPHK-ZDLGFXPLSA-N 0 0 353.647 5.046 40 30 FKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1Cl ZINC000408845075 570691672 /nfs/dbraw/zinc/69/16/72/570691672.db2.gz FBCARKGFLCIHQW-MTJSOVHGSA-N 0 0 373.681 5.952 40 30 FKEBRN C=CCc1cc(/C=N\c2ccc(Cl)c(Cl)c2)cc(OCC)c1O ZINC000408845199 570691696 /nfs/dbraw/zinc/69/16/96/570691696.db2.gz LNAGBKYPTKBLJV-NHDPSOOVSA-N 0 0 350.245 5.577 40 30 FKEBRN COc1cccc2c(/C=N/c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c21 ZINC000408845238 570691723 /nfs/dbraw/zinc/69/17/23/570691723.db2.gz VJOWJVQRFMXTLN-ZVHZXABRSA-N 0 0 360.844 6.248 40 30 FKEBRN Cc1cc(Br)ccc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000408845563 263500470 /nfs/dbraw/zinc/50/04/70/263500470.db2.gz KOYIHYRGVQXWBF-KGENOOAVSA-N 0 0 357.295 5.498 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2Cl)c1C ZINC000408845640 263500967 /nfs/dbraw/zinc/50/09/67/263500967.db2.gz GVUOKLMTOQQWSW-OYKKKHCWSA-N 0 0 350.893 6.369 40 30 FKEBRN C=CCc1cc(/C=N\c2ccccc2Br)cc(OCC)c1O ZINC000408845877 570691527 /nfs/dbraw/zinc/69/15/27/570691527.db2.gz LZVJVDMXESFWLI-NDENLUEZSA-N 0 0 360.251 5.033 40 30 FKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(C)cc2Br)cc1 ZINC000408846077 571016676 /nfs/dbraw/zinc/01/66/76/571016676.db2.gz IIXYGVCVSOPZMD-BKUYFWCQSA-N 0 0 369.262 5.307 40 30 FKEBRN COc1cccc2c(/C=N/c3ccc(C)cc3C)c(-c3ccccc3)[nH]c21 ZINC000408846734 570691703 /nfs/dbraw/zinc/69/17/03/570691703.db2.gz YVIITQFWVYENGH-MFKUBSTISA-N 0 0 354.453 6.211 40 30 FKEBRN CCOc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 ZINC000408846917 570691553 /nfs/dbraw/zinc/69/15/53/570691553.db2.gz LNLYTXJXVKCLIK-STZFKDTASA-N 0 0 369.262 5.389 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 ZINC000408847068 570691612 /nfs/dbraw/zinc/69/16/12/570691612.db2.gz OWAMQCHSFDUYSY-XKZIYDEJSA-N 0 0 358.272 5.601 40 30 FKEBRN Cc1cc(/N=C\c2ccc(N3CCCCC3)cc2)ccc1Br ZINC000408847099 570691588 /nfs/dbraw/zinc/69/15/88/570691588.db2.gz PEGVKKQESYKKOO-STZFKDTASA-N 0 0 357.295 5.498 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\Cc2ccc(OC)cc2)c1C ZINC000408847426 571016396 /nfs/dbraw/zinc/01/63/96/571016396.db2.gz MNTBNKZYYFVOGS-XYGWBWBKSA-N 0 0 360.501 5.593 40 30 FKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cccs2)sc2c1CCCC2 ZINC000408847460 571016568 /nfs/dbraw/zinc/01/65/68/571016568.db2.gz MYUVIMDPUNROPR-BKUYFWCQSA-N 0 0 366.511 5.691 40 30 FKEBRN Cc1c(Br)c(/C=N\c2ccccc2C)c(C)n1-c1ccccc1 ZINC000408847574 570691619 /nfs/dbraw/zinc/69/16/19/570691619.db2.gz NPQGMKRAJVCWHC-XKZIYDEJSA-N 0 0 367.290 5.916 40 30 FKEBRN Cc1cc(/N=C\c2ccc(N3CCCC3)c(C)c2)ccc1Br ZINC000408847651 570691602 /nfs/dbraw/zinc/69/16/02/570691602.db2.gz NVLZFCDWVBGKHH-BKUYFWCQSA-N 0 0 357.295 5.417 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Cl)c2C)c1C ZINC000408847721 571016564 /nfs/dbraw/zinc/01/65/64/571016564.db2.gz RGUHRVAKVVVDJQ-AFUMVMLFSA-N 0 0 364.920 6.677 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000408847812 570691644 /nfs/dbraw/zinc/69/16/44/570691644.db2.gz SGGGAJFWVXUEJM-CIAFOILYSA-N 0 0 373.681 5.952 40 30 FKEBRN CC(C)c1ccccc1/N=C/c1cccn1-c1ccc(Br)cc1 ZINC000408848078 263500952 /nfs/dbraw/zinc/50/09/52/263500952.db2.gz PHHZJQCFQCNMME-HYARGMPZSA-N 0 0 367.290 6.114 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(N(C)C)cc2)c1C ZINC000408848188 570691943 /nfs/dbraw/zinc/69/19/43/570691943.db2.gz QHWYBJRWNFVNQS-XYGWBWBKSA-N 0 0 359.517 5.782 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000408848472 570692066 /nfs/dbraw/zinc/69/20/66/570692066.db2.gz ZGARQFODXIAHOJ-KOEQRZSOSA-N 0 0 356.856 6.548 40 30 FKEBRN COc1cccc2c(/C=N\c3ccc(C)c(C)c3)c(-c3ccccc3)[nH]c21 ZINC000408848548 263500979 /nfs/dbraw/zinc/50/09/79/263500979.db2.gz XEFNRRBRVLOXDE-MYYYXRDXSA-N 0 0 354.453 6.211 40 30 FKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(Br)cc2C)cc1 ZINC000408848706 570692026 /nfs/dbraw/zinc/69/20/26/570692026.db2.gz SLQLLNNUMFXQEW-BKUYFWCQSA-N 0 0 369.262 5.307 40 30 FKEBRN C=CCc1cc(/C=N/c2cccc(Br)c2)cc(OCC)c1O ZINC000408849260 571020077 /nfs/dbraw/zinc/02/00/77/571020077.db2.gz VTEZVQFLVRNZCN-UDWIEESQSA-N 0 0 360.251 5.033 40 30 FKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccccc1)CCCC2 ZINC000408849309 570692502 /nfs/dbraw/zinc/69/25/02/570692502.db2.gz WANORCXFEGRUTP-HAHDFKILSA-N 0 0 360.482 5.630 40 30 FKEBRN Clc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 ZINC000408849493 571020609 /nfs/dbraw/zinc/02/06/09/571020609.db2.gz WDKZGYRVWWBZMN-UDWIEESQSA-N 0 0 359.654 5.644 40 30 FKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000408849509 263500629 /nfs/dbraw/zinc/50/06/29/263500629.db2.gz WKQUUOAMGLYHFF-XYGWBWBKSA-N 0 0 373.887 6.289 40 30 FKEBRN CCOc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408849863 570692402 /nfs/dbraw/zinc/69/24/02/570692402.db2.gz ZWSNRPVQUMWALJ-STZFKDTASA-N 0 0 369.262 5.389 40 30 FKEBRN Cc1c(/C=N\c2ccc(Br)c(Cl)c2)c2ccccc2n1C ZINC000408850228 571022367 /nfs/dbraw/zinc/02/23/67/571022367.db2.gz IUTGEUPUXNCCAQ-JMIUGGIZSA-N 0 0 361.670 5.653 40 30 FKEBRN Cc1cc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1C ZINC000408850301 570692508 /nfs/dbraw/zinc/69/25/08/570692508.db2.gz KVPXSHXFVXCPLU-MTJSOVHGSA-N 0 0 353.809 5.406 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cccn2-c2ccc(Br)cc2)c1 ZINC000408850325 570692498 /nfs/dbraw/zinc/69/24/98/570692498.db2.gz LJNWBBSXWASLET-FYJGNVAPSA-N 0 0 367.246 5.193 40 30 FKEBRN Cc1ccc(C)c(/N=C\c2cccn2-c2ccc(Br)cc2)c1 ZINC000408850435 263500985 /nfs/dbraw/zinc/50/09/85/263500985.db2.gz NQGUKRKBFQGYEM-BKUYFWCQSA-N 0 0 353.263 5.607 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 ZINC000408850475 570692398 /nfs/dbraw/zinc/69/23/98/570692398.db2.gz AQOLUFMWRNUQPM-NDENLUEZSA-N 0 0 359.654 5.644 40 30 FKEBRN C=CCc1cc(/C=N\c2cccc(Cl)c2Cl)cc(OCC)c1O ZINC000408850625 263500606 /nfs/dbraw/zinc/50/06/06/263500606.db2.gz PTEXGBSQOLRGAU-NHDPSOOVSA-N 0 0 350.245 5.577 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)c(Cl)c2)c1C ZINC000408850662 570692481 /nfs/dbraw/zinc/69/24/81/570692481.db2.gz QMRRDBSOYNCRQW-DHRITJCHSA-N 0 0 368.883 6.508 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(N2CCCC2)o1 ZINC000408851252 571022898 /nfs/dbraw/zinc/02/28/98/571022898.db2.gz WVAHMBQNVPCCMC-VXLYETTFSA-N 0 0 367.674 5.355 40 30 FKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 ZINC000408851409 570692500 /nfs/dbraw/zinc/69/25/00/570692500.db2.gz YWCIDXWYRYEXDS-WIXUPIFPSA-N 0 0 354.862 5.096 40 30 FKEBRN CC(C)c1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000408851883 570691954 /nfs/dbraw/zinc/69/19/54/570691954.db2.gz BCDQWHPRWPDWNH-UDWIEESQSA-N 0 0 361.283 5.516 40 30 FKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 ZINC000408851914 263502294 /nfs/dbraw/zinc/50/22/94/263502294.db2.gz HHBVMTBCQCENNW-WQRHYEAKSA-N 0 0 370.905 5.663 40 30 FKEBRN C=CCc1cc(/C=N\c2ccc(C)cc2Br)cc(OCC)c1O ZINC000408852117 571026089 /nfs/dbraw/zinc/02/60/89/571026089.db2.gz IJYIKWAASJLQSR-MTJSOVHGSA-N 0 0 374.278 5.341 40 30 FKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408852141 570692107 /nfs/dbraw/zinc/69/21/07/570692107.db2.gz IQAMRMHNVHWIHG-UHFFFAOYSA-N 0 0 365.654 5.223 40 30 FKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 ZINC000408852579 571026283 /nfs/dbraw/zinc/02/62/83/571026283.db2.gz UMLCDASQUQANDU-MFOYZWKCSA-N 0 0 367.861 5.021 40 30 FKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/C=C/c2ccccc2)S1 ZINC000408852878 263501855 /nfs/dbraw/zinc/50/18/55/263501855.db2.gz NUOZGCRFRPXWCD-WIXUPIFPSA-N 0 0 354.862 5.096 40 30 FKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000408852971 263502202 /nfs/dbraw/zinc/50/22/02/263502202.db2.gz OSDMANYNAZMXSA-XIEYBQDHSA-N 0 0 367.452 5.980 40 30 FKEBRN Clc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)cc1 ZINC000408853689 571026685 /nfs/dbraw/zinc/02/66/85/571026685.db2.gz QPNVCKBWRUTVHJ-NDENLUEZSA-N 0 0 359.654 5.644 40 30 FKEBRN CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 ZINC000408854076 571026595 /nfs/dbraw/zinc/02/65/95/571026595.db2.gz XBFBWESRZSTASK-HMAPJEAMSA-N 0 0 352.821 5.058 40 30 FKEBRN C=CCc1cc(/C=N\c2ccc(-n3c(C)ccc3C)cc2)cc(OCC)c1O ZINC000408854148 570693033 /nfs/dbraw/zinc/69/30/33/570693033.db2.gz YNBIFRYYXISYHE-XYGWBWBKSA-N 0 0 374.484 5.678 40 30 FKEBRN COc1ccc(Oc2ccc(/N=C\c3ccc(N4CCCC4)cc3)cc2)cc1 ZINC000408854231 570692849 /nfs/dbraw/zinc/69/28/49/570692849.db2.gz AJIMASYREDTHCH-BWAHOGKJSA-N 0 0 372.468 5.838 40 30 FKEBRN Cc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1F ZINC000408854255 571026736 /nfs/dbraw/zinc/02/67/36/571026736.db2.gz AYNRMYZZXDPEBZ-OMCISZLKSA-N 0 0 361.008 5.003 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2)c1C ZINC000408854265 571026739 /nfs/dbraw/zinc/02/67/39/571026739.db2.gz BDVLIGYKODZMSG-OYKKKHCWSA-N 0 0 350.893 6.369 40 30 FKEBRN Cc1c(Br)c(/C=N\C2CCCCC2)c(C)n1-c1ccccc1 ZINC000408854322 570693452 /nfs/dbraw/zinc/69/34/52/570693452.db2.gz CLJVZHAPMDNXBU-BKUYFWCQSA-N 0 0 359.311 5.608 40 30 FKEBRN Fc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)c(F)c1 ZINC000408854514 263502099 /nfs/dbraw/zinc/50/20/99/263502099.db2.gz HEPWSXOYDFSZGK-SRZZPIQSSA-N 0 0 361.189 5.269 40 30 FKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(Cl)cc2)S1 ZINC000408854840 570693327 /nfs/dbraw/zinc/69/33/27/570693327.db2.gz ACTAAWPPPIFIDY-DHDCSXOGSA-N 0 0 363.269 5.193 40 30 FKEBRN C(=N\c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCCC2)cc1 ZINC000408854843 571027066 /nfs/dbraw/zinc/02/70/66/571027066.db2.gz JYBDKECPCTXEDM-PLRJNAJWSA-N 0 0 355.485 6.171 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2SC)c1C ZINC000408855045 263502205 /nfs/dbraw/zinc/50/22/05/263502205.db2.gz BYUKDCGPKZEOGE-BUVRLJJBSA-N 0 0 362.542 6.437 40 30 FKEBRN Clc1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 ZINC000408855109 570693375 /nfs/dbraw/zinc/69/33/75/570693375.db2.gz CBBFSLUHYAVECW-UDWIEESQSA-N 0 0 359.654 5.644 40 30 FKEBRN Cc1cc(CN=Nc2ccccn2)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408855662 570693346 /nfs/dbraw/zinc/69/33/46/570693346.db2.gz FXCSQNKIVPHCME-CFRMEGHHSA-N 0 0 365.864 5.377 40 30 FKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)c(N2CCCC2)o1 ZINC000408856816 570693002 /nfs/dbraw/zinc/69/30/02/570693002.db2.gz LJFJVYZWEURVDT-VXLYETTFSA-N 0 0 367.674 5.355 40 30 FKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Br)cc2)c(C)c1 ZINC000408857116 263502288 /nfs/dbraw/zinc/50/22/88/263502288.db2.gz KXLYYQUORIXUPV-BKUYFWCQSA-N 0 0 353.263 5.607 40 30 FKEBRN CSc1ccccc1/N=C/c1cc(Br)c(N2CCCC2)o1 ZINC000408857235 570692982 /nfs/dbraw/zinc/69/29/82/570692982.db2.gz NKCPJVBBZJOCQB-WOJGMQOQSA-N 0 0 365.296 5.115 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408857375 570692895 /nfs/dbraw/zinc/69/28/95/570692895.db2.gz MGMIHPQAJCJQHH-MTJSOVHGSA-N 0 0 373.681 5.952 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(Cl)c2)c1C ZINC000408857453 571027914 /nfs/dbraw/zinc/02/79/14/571027914.db2.gz OHPHJDSFIBPKNF-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN CC(C)(C)c1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 ZINC000408857508 570692837 /nfs/dbraw/zinc/69/28/37/570692837.db2.gz HNOHFHCTHCGSGU-ATVHPVEESA-N 0 0 354.450 5.015 40 30 FKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408857847 570693015 /nfs/dbraw/zinc/69/30/15/570693015.db2.gz MXKAZEYEULBJKV-IWIPYMOSSA-N 0 0 374.509 5.938 40 30 FKEBRN Clc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)cc1 ZINC000408857854 570693016 /nfs/dbraw/zinc/69/30/16/570693016.db2.gz PHAJXLSRXGNEAU-ZDLGFXPLSA-N 0 0 353.647 5.046 40 30 FKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1cccnc1)CCCC2 ZINC000408857986 570693027 /nfs/dbraw/zinc/69/30/27/570693027.db2.gz QWGYFOUVOJQZDS-UCQKPKSFSA-N 0 0 361.470 5.025 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc3ncccc3c2)c1C ZINC000408858222 571028418 /nfs/dbraw/zinc/02/84/18/571028418.db2.gz QUXYTWXDACUJBK-JVWAILMASA-N 0 0 367.496 6.264 40 30 FKEBRN C=CCc1cc(C=O)cc(Br)c1OCc1ccccc1Cl ZINC000408858533 263501404 /nfs/dbraw/zinc/50/14/04/263501404.db2.gz PXFIOVRWIBQHHG-UHFFFAOYSA-N 0 0 365.654 5.223 40 30 FKEBRN CC(C)c1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(C(C)C)c1O ZINC000408859106 571031594 /nfs/dbraw/zinc/03/15/94/571031594.db2.gz WOTTVNWEEVVNCS-YZSQISJMSA-N 0 0 372.512 6.811 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Nc3ccccc3)cc2)ccc1N1CCCC1 ZINC000408859117 570693950 /nfs/dbraw/zinc/69/39/50/570693950.db2.gz WPIBAPLVYSFHHG-BWAHOGKJSA-N 0 0 355.485 6.089 40 30 FKEBRN CC/N=C1\S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)N1CC ZINC000408859421 263502179 /nfs/dbraw/zinc/50/21/79/263502179.db2.gz UEOASINQXCKAQW-ZZCYQEOYSA-N 0 0 372.515 5.051 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1 ZINC000408859486 570693312 /nfs/dbraw/zinc/69/33/12/570693312.db2.gz UTHIGRRDDCLJJO-KGENOOAVSA-N 0 0 368.278 5.056 40 30 FKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c(Br)c1 ZINC000408859544 570693241 /nfs/dbraw/zinc/69/32/41/570693241.db2.gz UYYNXEUXJIKLNK-MTJSOVHGSA-N 0 0 373.681 5.952 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1C ZINC000408859786 263502309 /nfs/dbraw/zinc/50/23/09/263502309.db2.gz ZOPLEVCCSPMOPX-FRKPEAEDSA-N 0 0 357.045 5.172 40 30 FKEBRN Clc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408859812 263502312 /nfs/dbraw/zinc/50/23/12/263502312.db2.gz ZKIDWNQEKHMTKG-NDENLUEZSA-N 0 0 359.654 5.644 40 30 FKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1cccc(Cl)c1Cl ZINC000408860085 570693435 /nfs/dbraw/zinc/69/34/35/570693435.db2.gz YDQDRIXLZAMFDW-JYRVWZFOSA-N 0 0 367.232 5.024 40 30 FKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc3ccccc23)S1 ZINC000408863001 263502665 /nfs/dbraw/zinc/50/26/65/263502665.db2.gz KBNYHRQEWVSNBF-MOSHPQCFSA-N 0 0 374.465 5.048 40 30 FKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 ZINC000408863550 571032908 /nfs/dbraw/zinc/03/29/08/571032908.db2.gz NKIXDVCZKYGZAO-UNOMPAQXSA-N 0 0 366.486 5.019 40 30 FKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000408864691 571032917 /nfs/dbraw/zinc/03/29/17/571032917.db2.gz YIKWVUIWNGMWLL-HLPMKXTMSA-N 0 0 366.486 5.462 40 30 FKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000408864692 571032900 /nfs/dbraw/zinc/03/29/00/571032900.db2.gz YIKWVUIWNGMWLL-PCDQMTBKSA-N 0 0 366.486 5.462 40 30 FKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000408864693 263502541 /nfs/dbraw/zinc/50/25/41/263502541.db2.gz YIKWVUIWNGMWLL-YYKCHOOESA-N 0 0 366.486 5.462 40 30 FKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccccc1 ZINC000408864695 263503337 /nfs/dbraw/zinc/50/33/37/263503337.db2.gz YIKWVUIWNGMWLL-ZBJKJOAESA-N 0 0 366.486 5.462 40 30 FKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccccc2Cl)S1 ZINC000408868087 263502570 /nfs/dbraw/zinc/50/25/70/263502570.db2.gz NGRANCRDVMSXOW-DHDCSXOGSA-N 0 0 363.269 5.193 40 30 FKEBRN O=C1/C(=C/c2ccco2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408868812 570694372 /nfs/dbraw/zinc/69/43/72/570694372.db2.gz BMOJKJNNMPVJJU-GTFONSFASA-N 0 0 370.449 5.355 40 30 FKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(C(C)C)cc2)S1 ZINC000408883864 570694767 /nfs/dbraw/zinc/69/47/67/570694767.db2.gz RNNSICQKZPMQIN-ZDLGFXPLSA-N 0 0 370.905 5.663 40 30 FKEBRN CCCCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408889208 571039539 /nfs/dbraw/zinc/03/95/39/571039539.db2.gz FMZJGTPMAAOTPG-RGEXLXHISA-N 0 0 366.486 5.066 40 30 FKEBRN CC(C)N(/N=C/c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000408892169 571042073 /nfs/dbraw/zinc/04/20/73/571042073.db2.gz GVBFAVAGGQELFS-VXLYETTFSA-N 0 0 352.221 5.151 40 30 FKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408898874 571044609 /nfs/dbraw/zinc/04/46/09/571044609.db2.gz NGNKDQYJZHHHDN-RGEXLXHISA-N 0 0 366.486 5.066 40 30 FKEBRN C=CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000408903896 570696653 /nfs/dbraw/zinc/69/66/53/570696653.db2.gz AZIMVDSYMLSHSF-LTGZKZEYSA-N 0 0 368.436 5.211 40 30 FKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c1 ZINC000408905846 263505879 /nfs/dbraw/zinc/50/58/79/263505879.db2.gz FQTCJBLPSGDJHB-KLPPEWMLSA-N 0 0 366.486 5.098 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1c(C)cccc1C ZINC000408906376 263506891 /nfs/dbraw/zinc/50/68/91/263506891.db2.gz IXKTVIDWSWNVJG-JRLDGGGSSA-N 0 0 370.905 5.581 40 30 FKEBRN CCN1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408906418 571046441 /nfs/dbraw/zinc/04/64/41/571046441.db2.gz BJOXXGALRGBAPA-NVZLDUMVSA-N 0 0 372.493 5.772 40 30 FKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000408906441 571046516 /nfs/dbraw/zinc/04/65/16/571046516.db2.gz BMTCKJYTJPNFJZ-KLPPEWMLSA-N 0 0 366.486 5.098 40 30 FKEBRN O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906514 570696972 /nfs/dbraw/zinc/69/69/72/570696972.db2.gz CEKGODQMAPGPRM-KLPPEWMLSA-N 0 0 360.438 5.084 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2C)cc1 ZINC000408906630 571046317 /nfs/dbraw/zinc/04/63/17/571046317.db2.gz CNQXQLZPHJJBCM-NFYBBCHUSA-N 0 0 350.487 5.352 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC)cc2)S/C1=N\c1ccccc1 ZINC000408906690 571046503 /nfs/dbraw/zinc/04/65/03/571046503.db2.gz JQIJGGIKGNYDPU-VYADPRQXSA-N 0 0 366.486 5.099 40 30 FKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1C ZINC000408906694 263507072 /nfs/dbraw/zinc/50/70/72/263507072.db2.gz DGJWXXIRDGKLIM-NFYBBCHUSA-N 0 0 366.486 5.016 40 30 FKEBRN CC(C)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408906748 263507009 /nfs/dbraw/zinc/50/70/09/263507009.db2.gz DLXQONWCNIBRCH-NVZLDUMVSA-N 0 0 372.493 5.852 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(C)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408906872 570696927 /nfs/dbraw/zinc/69/69/27/570696927.db2.gz DTTHSOYPOHEGET-KLPPEWMLSA-N 0 0 366.486 5.018 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccccc2OCC)S/C1=N\c1ccccc1 ZINC000408906894 571046964 /nfs/dbraw/zinc/04/69/64/571046964.db2.gz DYNRYDWLGGGOCL-VYADPRQXSA-N 0 0 366.486 5.099 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408907005 570697042 /nfs/dbraw/zinc/69/70/42/570697042.db2.gz KYPOWPIAAMUGMD-FTIPTLOASA-N 0 0 354.450 5.066 40 30 FKEBRN CCN1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408907024 570696941 /nfs/dbraw/zinc/69/69/41/570696941.db2.gz FYJMNMBXXIJHJC-AVJLYGTLSA-N 0 0 374.868 5.411 40 30 FKEBRN 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Cc1ccc(/N=C2\S/C(=C/C=C/c3ccccc3)C(=O)N2C(C)C)cc1 ZINC000408909916 571047674 /nfs/dbraw/zinc/04/76/74/571047674.db2.gz HUTJXNJRVKZBTG-JUFQOAMISA-N 0 0 362.498 5.564 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1c(C)cccc1C ZINC000408910001 571047758 /nfs/dbraw/zinc/04/77/58/571047758.db2.gz VPQWNKBQPSWTAI-JRLDGGGSSA-N 0 0 354.450 5.066 40 30 FKEBRN CCCN1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408910330 570698476 /nfs/dbraw/zinc/69/84/76/570698476.db2.gz KADVZHHYYXAELP-CUNGHOPLSA-N 0 0 372.877 5.060 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C)cc1 ZINC000408910362 571047637 /nfs/dbraw/zinc/04/76/37/571047637.db2.gz KIVVFHLQHHMDGL-QNQNADBQSA-N 0 0 358.466 5.382 40 30 FKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Cl)cc2)C(=O)N1CC ZINC000408910401 570698413 /nfs/dbraw/zinc/69/84/13/570698413.db2.gz ICZODDDNRXQJRX-PVTBXJRFSA-N 0 0 370.905 5.526 40 30 FKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1 ZINC000408910523 263506403 /nfs/dbraw/zinc/50/64/03/263506403.db2.gz INWKDQDBBTZCFN-NFYBBCHUSA-N 0 0 350.487 5.316 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2C(C)C)cc1 ZINC000408910685 570698488 /nfs/dbraw/zinc/69/84/88/570698488.db2.gz IXQDSUZBAZIJCU-FTIPTLOASA-N 0 0 370.905 5.661 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408910764 570698430 /nfs/dbraw/zinc/69/84/30/570698430.db2.gz KRZPHQZIXXUGMZ-OCIPIQTLSA-N 0 0 364.514 5.824 40 30 FKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408910976 571047629 /nfs/dbraw/zinc/04/76/29/571047629.db2.gz MJCLMQJLWUITTG-AFUMVMLFSA-N 0 0 374.484 5.871 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408911203 570698419 /nfs/dbraw/zinc/69/84/19/570698419.db2.gz ZDZFEHQMDCWFGB-FTIPTLOASA-N 0 0 370.905 5.581 40 30 FKEBRN CCCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408911239 570698330 /nfs/dbraw/zinc/69/83/30/570698330.db2.gz JNRNYLRFHJIHPW-OCIPIQTLSA-N 0 0 364.514 5.708 40 30 FKEBRN CCCCN1C(=O)/C(=C\c2cccc(O)c2)S/C1=N\c1ccc(C)cc1 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FKEBRN CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408911706 570698521 /nfs/dbraw/zinc/69/85/21/570698521.db2.gz NYLQEEBLLZIQHS-NFYBBCHUSA-N 0 0 350.487 5.236 40 30 FKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1Cl ZINC000408911832 571048196 /nfs/dbraw/zinc/04/81/96/571048196.db2.gz DQPLAMBGSMPNDW-UHFFFAOYSA-N 0 0 361.828 5.210 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2C)cc1 ZINC000408911920 571048006 /nfs/dbraw/zinc/04/80/06/571048006.db2.gz OYYFGBZLJZYONR-WPKWFYOXSA-N 0 0 360.841 5.021 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(C)ccc1C ZINC000408911998 570698390 /nfs/dbraw/zinc/69/83/90/570698390.db2.gz PIZAMWZYNHECAQ-XKZIYDEJSA-N 0 0 362.433 5.065 40 30 FKEBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912029 570698499 /nfs/dbraw/zinc/69/84/99/570698499.db2.gz KJXADHCKTVXJAE-KLPPEWMLSA-N 0 0 366.486 5.018 40 30 FKEBRN CCCCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408912040 570698482 /nfs/dbraw/zinc/69/84/82/570698482.db2.gz KMJZIYRMJGEYPP-ZIGJTDFESA-N 0 0 368.477 5.538 40 30 FKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(F)cc2)C(=O)N1CC ZINC000408912061 571048203 /nfs/dbraw/zinc/04/82/03/571048203.db2.gz KRRJAIBJKFYSON-PVTBXJRFSA-N 0 0 354.450 5.012 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1ccc(C)cc1 ZINC000408912158 570697574 /nfs/dbraw/zinc/69/75/74/570697574.db2.gz LHYMDCJBSMFPAL-KLPPEWMLSA-N 0 0 366.486 5.018 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1c(C)cccc1C ZINC000408912167 570697576 /nfs/dbraw/zinc/69/75/76/570697576.db2.gz PFNWGPUJUIMSEF-DLTWUOELSA-N 0 0 350.487 5.236 40 30 FKEBRN CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1cc(C)ccc1C ZINC000408912182 570697581 /nfs/dbraw/zinc/69/75/81/570697581.db2.gz PHCYARFMFBERJU-KRICTJEJSA-N 0 0 356.516 5.297 40 30 FKEBRN O=C1/C(=C\c2ccco2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408912288 571048496 /nfs/dbraw/zinc/04/84/96/571048496.db2.gz PRUOANLGTBIXJX-SUJVXMJXSA-N 0 0 374.465 5.126 40 30 FKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1C ZINC000408912397 570697513 /nfs/dbraw/zinc/69/75/13/570697513.db2.gz QCNXANHAOUYFDV-NFYBBCHUSA-N 0 0 366.486 5.016 40 30 FKEBRN C=CCOc1ccc(-n2c(C)cc(/C=N/c3ccc4c(c3)OCO4)c2C)cc1 ZINC000408912482 571048494 /nfs/dbraw/zinc/04/84/94/571048494.db2.gz GUONVWXTPJYADC-ZVHZXABRSA-N 0 0 374.440 5.138 40 30 FKEBRN CC(C)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408912683 571048064 /nfs/dbraw/zinc/04/80/64/571048064.db2.gz QVALYHQADYWHEG-AVJLYGTLSA-N 0 0 374.868 5.492 40 30 FKEBRN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1cc(C)ccc1C ZINC000408912834 571048176 /nfs/dbraw/zinc/04/81/76/571048176.db2.gz RQIZJEXUTKLCBX-PSSMHDJQSA-N 0 0 362.498 5.484 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408913136 570698361 /nfs/dbraw/zinc/69/83/61/570698361.db2.gz LAPCOYIFXUQSHF-UHFFFAOYSA-N 0 0 374.823 5.382 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C)c1C ZINC000408913445 570698840 /nfs/dbraw/zinc/69/88/40/570698840.db2.gz UQTYKUZINNFHHR-XKZIYDEJSA-N 0 0 362.433 5.065 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3C)C(=O)N2C(C)C)cc1 ZINC000408913552 570698716 /nfs/dbraw/zinc/69/87/16/570698716.db2.gz MXFNPQIHRXKDTM-NFYBBCHUSA-N 0 0 350.487 5.316 40 30 FKEBRN CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 ZINC000408913891 571048519 /nfs/dbraw/zinc/04/85/19/571048519.db2.gz UYUGIRTUIPNPKM-QNQNADBQSA-N 0 0 364.514 5.822 40 30 FKEBRN Clc1ccc(-c2ccc(/C=N\c3ccc4c(c3)OCO4)o2)cc1Cl ZINC000408913982 570698865 /nfs/dbraw/zinc/69/88/65/570698865.db2.gz WSEVIZKGPODHSB-NKVSQWTQSA-N 0 0 360.196 5.733 40 30 FKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408914581 570698847 /nfs/dbraw/zinc/69/88/47/570698847.db2.gz OGDRYMAOZNVCMH-PFBSFERQSA-N 0 0 350.487 5.398 40 30 FKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408914583 571048470 /nfs/dbraw/zinc/04/84/70/571048470.db2.gz OGDRYMAOZNVCMH-ZMMZXMISSA-N 0 0 350.487 5.398 40 30 FKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)c(C)c1 ZINC000408914851 570698800 /nfs/dbraw/zinc/69/88/00/570698800.db2.gz YBMPASAVACVHOY-NFYBBCHUSA-N 0 0 366.486 5.016 40 30 FKEBRN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1c(C)cccc1C ZINC000408914857 570698769 /nfs/dbraw/zinc/69/87/69/570698769.db2.gz YFCDFQUHWVIADO-RVPACPKESA-N 0 0 362.498 5.484 40 30 FKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 ZINC000408915021 570698858 /nfs/dbraw/zinc/69/88/58/570698858.db2.gz OVSOIRGTOQPEDF-GMWKTFMCSA-N 0 0 364.514 5.706 40 30 FKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 ZINC000408915024 571048416 /nfs/dbraw/zinc/04/84/16/571048416.db2.gz OVSOIRGTOQPEDF-XRKMEXABSA-N 0 0 364.514 5.706 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccc(C)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408915035 570698733 /nfs/dbraw/zinc/69/87/33/570698733.db2.gz OXJOMEVJPWPLJQ-KLPPEWMLSA-N 0 0 350.487 5.317 40 30 FKEBRN CCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408915079 570699234 /nfs/dbraw/zinc/69/92/34/570699234.db2.gz PBHMERZMFSLSCD-JUFQOAMISA-N 0 0 362.498 5.565 40 30 FKEBRN CCCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N\c1ccc(C)cc1 ZINC000408915136 570699255 /nfs/dbraw/zinc/69/92/55/570699255.db2.gz PEJLEFWDCQGQIE-PVTBXJRFSA-N 0 0 370.905 5.662 40 30 FKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408915153 571048324 /nfs/dbraw/zinc/04/83/24/571048324.db2.gz PHICZGULSIYHEW-NFYBBCHUSA-N 0 0 366.486 5.016 40 30 FKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2C)C(=O)N1CC ZINC000408915208 570699125 /nfs/dbraw/zinc/69/91/25/570699125.db2.gz PPBTXENMYJOIPT-KLPPEWMLSA-N 0 0 350.487 5.181 40 30 FKEBRN N#CCc1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 ZINC000408915235 570699257 /nfs/dbraw/zinc/69/92/57/570699257.db2.gz YSFWNCNMAXZJBW-LTGZKZEYSA-N 0 0 372.855 5.585 40 30 FKEBRN CCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1c(C)cccc1C ZINC000408915284 571048498 /nfs/dbraw/zinc/04/84/98/571048498.db2.gz ZBWODUOFYQKLCB-DOXJHMMXSA-N 0 0 356.516 5.297 40 30 FKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1 ZINC000408915313 570699111 /nfs/dbraw/zinc/69/91/11/570699111.db2.gz ZLURCUOETDLLSK-WYWWFWOASA-N 0 0 374.465 5.645 40 30 FKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)S/C1=N\c1ccccc1 ZINC000408915314 570699213 /nfs/dbraw/zinc/69/92/13/570699213.db2.gz ZLURCUOETDLLSK-YVASXTLYSA-N 0 0 374.465 5.645 40 30 FKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1 ZINC000408915633 570699237 /nfs/dbraw/zinc/69/92/37/570699237.db2.gz QIMCAORFOYUJRW-DYEBMTOPSA-N 0 0 364.514 5.563 40 30 FKEBRN CCCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccc(C)cc1 ZINC000408915705 570699141 /nfs/dbraw/zinc/69/91/41/570699141.db2.gz QPTAAWQSOIEOTG-OCIPIQTLSA-N 0 0 364.514 5.708 40 30 FKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408915814 571048455 /nfs/dbraw/zinc/04/84/55/571048455.db2.gz ZIIYUXZXUSDSNS-AUEPDCJTSA-N 0 0 370.811 5.366 40 30 FKEBRN Cc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408915952 570699117 /nfs/dbraw/zinc/69/91/17/570699117.db2.gz SIWXVNXXCQKZMR-RERTVAKNSA-N 0 0 370.477 5.804 40 30 FKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408916054 570699266 /nfs/dbraw/zinc/69/92/66/570699266.db2.gz UFTUEHCUGNQNPV-OTFYDCBPSA-N 0 0 366.486 5.103 40 30 FKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408916055 571048358 /nfs/dbraw/zinc/04/83/58/571048358.db2.gz UFTUEHCUGNQNPV-YWRZKIKVSA-N 0 0 366.486 5.103 40 30 FKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)cc2)C(=O)N1CC ZINC000408916084 570699216 /nfs/dbraw/zinc/69/92/16/570699216.db2.gz UPKCKKDTYRTCDB-KLPPEWMLSA-N 0 0 350.487 5.181 40 30 FKEBRN CCc1ccccc1/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1C ZINC000408916098 570699246 /nfs/dbraw/zinc/69/92/46/570699246.db2.gz USJOSESZQRZLKD-AVJLYGTLSA-N 0 0 374.868 5.275 40 30 FKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c1 ZINC000408916357 571048795 /nfs/dbraw/zinc/04/87/95/571048795.db2.gz WOVSARJTKYDWHA-NFYBBCHUSA-N 0 0 366.486 5.016 40 30 FKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916392 571048852 /nfs/dbraw/zinc/04/88/52/571048852.db2.gz WZMKOEWUZHUPGO-CXPRPJQYSA-N 0 0 368.477 5.537 40 30 FKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408916393 571048815 /nfs/dbraw/zinc/04/88/15/571048815.db2.gz WZMKOEWUZHUPGO-XNGCSZICSA-N 0 0 368.477 5.537 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2CC(C)C)cc1 ZINC000408916742 571048854 /nfs/dbraw/zinc/04/88/54/571048854.db2.gz YYGBMJHIEBIVDH-CRUFNBOHSA-N 0 0 368.477 5.394 40 30 FKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(F)cc3)C(=O)N2C(C)C)cc1 ZINC000408916797 570699282 /nfs/dbraw/zinc/69/92/82/570699282.db2.gz ZDRFEQVRVVXJSW-FTIPTLOASA-N 0 0 354.450 5.147 40 30 FKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C#N)c1C ZINC000408917829 571048823 /nfs/dbraw/zinc/04/88/23/571048823.db2.gz BSLVQXSLXILYMP-WYMPLXKRSA-N 0 0 364.832 5.751 40 30 FKEBRN Cc1oc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C#N)c1C ZINC000408919204 571049928 /nfs/dbraw/zinc/04/99/28/571049928.db2.gz UUJPFNRGWCCKEW-WYMPLXKRSA-N 0 0 364.832 5.751 40 30 FKEBRN Cc1cccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1 ZINC000408919235 571049755 /nfs/dbraw/zinc/04/97/55/571049755.db2.gz VBOVBZQBCALVPR-DJOYVXLESA-N 0 0 374.465 5.392 40 30 FKEBRN CC(=CC(=O)c1ccc(F)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000408920292 570699100 /nfs/dbraw/zinc/69/91/00/570699100.db2.gz IDKUALMMJDIALK-PEHRLVKHSA-N 0 0 359.404 6.440 40 30 FKEBRN CCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000408921912 570699487 /nfs/dbraw/zinc/69/94/87/570699487.db2.gz CHAJFGIIUBMGAV-HYARGMPZSA-N 0 0 351.475 5.353 40 30 FKEBRN CC(=CC(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1Cl ZINC000408923223 570699972 /nfs/dbraw/zinc/69/99/72/570699972.db2.gz PCUCUBWBKKMNJF-CSKARUKUSA-N 0 0 368.633 5.440 40 30 FKEBRN CC/N=C1/S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)N1CC ZINC000408929861 570700374 /nfs/dbraw/zinc/70/03/74/570700374.db2.gz PAHPGXABVOHKSQ-WZOFUNJYSA-N 0 0 374.893 5.221 40 30 FKEBRN CCOc1cc(C)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1C(C)C ZINC000408930821 263507692 /nfs/dbraw/zinc/50/76/92/263507692.db2.gz CMVIFCFSQYGOPZ-LFVJCYFKSA-N 0 0 366.505 5.104 40 30 FKEBRN CC[C@H](C)n1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000408930887 571054630 /nfs/dbraw/zinc/05/46/30/571054630.db2.gz DJSCXBAMASNNAL-MRSJDWDVSA-N 0 0 361.489 5.200 40 30 FKEBRN CC[C@@H](C)n1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000408930888 571054618 /nfs/dbraw/zinc/05/46/18/571054618.db2.gz DJSCXBAMASNNAL-WCIBBKAISA-N 0 0 361.489 5.200 40 30 FKEBRN FC(F)(F)c1ccc(NN=Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000408931061 570700840 /nfs/dbraw/zinc/70/08/40/570700840.db2.gz GQIDTNHXGCIKHI-OYKKKHCWSA-N 0 0 356.347 5.944 40 30 FKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C ZINC000408931069 570700818 /nfs/dbraw/zinc/70/08/18/570700818.db2.gz GRYFUKYDYYFXGR-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931093 263507963 /nfs/dbraw/zinc/50/79/63/263507963.db2.gz HCCFWLJQELNCBU-LGVXEURYSA-N 0 0 372.896 5.105 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408931094 570700778 /nfs/dbraw/zinc/70/07/78/570700778.db2.gz HCCFWLJQELNCBU-PFRBSUFTSA-N 0 0 372.896 5.105 40 30 FKEBRN Fc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c(F)c1 ZINC000408931142 570700678 /nfs/dbraw/zinc/70/06/78/570700678.db2.gz HQPWTLOCDBSVEL-BHGWPJFGSA-N 0 0 350.290 5.525 40 30 FKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000408931289 263508108 /nfs/dbraw/zinc/50/81/08/263508108.db2.gz JOBPLQGGVOYPPU-NLRVBDNBSA-N 0 0 366.464 5.580 40 30 FKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(Sc2ccccc2)o1 ZINC000408931403 571055225 /nfs/dbraw/zinc/05/52/25/571055225.db2.gz LEOKEYJKIBCTJA-CJLVFECKSA-N 0 0 364.470 5.018 40 30 FKEBRN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccccc2)cc1 ZINC000408931547 570700008 /nfs/dbraw/zinc/70/00/08/570700008.db2.gz NAJNMSVPYJKRDD-QFEZKATASA-N 0 0 370.374 5.730 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)c(C)c1 ZINC000408931732 571054895 /nfs/dbraw/zinc/05/48/95/571054895.db2.gz PNBOUNKINLTTOW-QFEZKATASA-N 0 0 374.484 5.557 40 30 FKEBRN Oc1cc(Cl)ccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408931878 571055024 /nfs/dbraw/zinc/05/50/24/571055024.db2.gz RMHUZPWULUFBAM-KSEXSDGBSA-N 0 0 364.754 5.606 40 30 FKEBRN CCn1cccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408932168 571054867 /nfs/dbraw/zinc/05/48/67/571054867.db2.gz BJNZTWAWDVCNJV-GAADFGEESA-N 0 0 373.481 5.317 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)c(C)c1 ZINC000408932176 263507481 /nfs/dbraw/zinc/50/74/81/263507481.db2.gz UPRJKGSZDSXLOT-CFRMEGHHSA-N 0 0 364.420 5.079 40 30 FKEBRN O=[N+]([O-])c1cccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408932325 570701241 /nfs/dbraw/zinc/70/12/41/570701241.db2.gz CADIIAKHZQGPBU-UUYOSTAYSA-N 0 0 359.307 5.155 40 30 FKEBRN COC(=O)c1ccccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408932497 571055612 /nfs/dbraw/zinc/05/56/12/571055612.db2.gz COZFGZLHANRAJZ-CFRMEGHHSA-N 0 0 372.346 5.033 40 30 FKEBRN Cc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408932505 263507770 /nfs/dbraw/zinc/50/77/70/263507770.db2.gz CQMHBJLZDBWFRG-WYMPLXKRSA-N 0 0 362.782 6.209 40 30 FKEBRN O=[N+]([O-])c1ccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000408932787 570700835 /nfs/dbraw/zinc/70/08/35/570700835.db2.gz DZYMJQVNRSEDHJ-UUYOSTAYSA-N 0 0 359.307 5.155 40 30 FKEBRN CCOc1cccc(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408932839 263508123 /nfs/dbraw/zinc/50/81/23/263508123.db2.gz ZVZGVSDTRJWXAU-OYKKKHCWSA-N 0 0 358.363 5.645 40 30 FKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)c(C)c1 ZINC000408932892 570700806 /nfs/dbraw/zinc/70/08/06/570700806.db2.gz FNDCRBBZVCUEPZ-OYKKKHCWSA-N 0 0 360.457 5.248 40 30 FKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000408932995 571055454 /nfs/dbraw/zinc/05/54/54/571055454.db2.gz GKSZWZAGKRMDGC-QFEZKATASA-N 0 0 370.374 5.730 40 30 FKEBRN C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1cccn1-c1ccccc1 ZINC000408933617 571056095 /nfs/dbraw/zinc/05/60/95/571056095.db2.gz BOYMQMCGSMREKB-NLRVBDNBSA-N 0 0 362.432 6.641 40 30 FKEBRN CC(C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000408934185 570701037 /nfs/dbraw/zinc/70/10/37/570701037.db2.gz LNSKRGPBJDIRGQ-YVNNLAQVSA-N 0 0 356.775 5.592 40 30 FKEBRN CC[C@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000408934703 570701053 /nfs/dbraw/zinc/70/10/53/570701053.db2.gz MFCNRTNYQIPHCU-QNEYSMKTSA-N 0 0 370.802 5.982 40 30 FKEBRN CC[C@@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000408934710 570701077 /nfs/dbraw/zinc/70/10/77/570701077.db2.gz MFCNRTNYQIPHCU-RMJYUUNHSA-N 0 0 370.802 5.982 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cccs3)cc1)N2 ZINC000408934713 570701219 /nfs/dbraw/zinc/70/12/19/570701219.db2.gz FWTYOXVLFQCOAK-KUMOWPEWSA-N 0 0 370.521 6.634 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cccs3)cc1)N2 ZINC000408934720 571056649 /nfs/dbraw/zinc/05/66/49/571056649.db2.gz FWTYOXVLFQCOAK-PDNYKJPMSA-N 0 0 370.521 6.634 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cccs3)cc1)N2 ZINC000408934724 570701058 /nfs/dbraw/zinc/70/10/58/570701058.db2.gz FWTYOXVLFQCOAK-PHGUOVJZSA-N 0 0 370.521 6.634 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cccs3)cc1)N2 ZINC000408934726 570701249 /nfs/dbraw/zinc/70/12/49/570701249.db2.gz FWTYOXVLFQCOAK-ROGXRUOCSA-N 0 0 370.521 6.634 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccco3)cc1)N2 ZINC000408934760 571056328 /nfs/dbraw/zinc/05/63/28/571056328.db2.gz FZBVDNFSAPGYTL-KUMOWPEWSA-N 0 0 354.453 6.165 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccco3)cc1)N2 ZINC000408934766 570701075 /nfs/dbraw/zinc/70/10/75/570701075.db2.gz FZBVDNFSAPGYTL-PDNYKJPMSA-N 0 0 354.453 6.165 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccco3)cc1)N2 ZINC000408934769 571056134 /nfs/dbraw/zinc/05/61/34/571056134.db2.gz FZBVDNFSAPGYTL-PHGUOVJZSA-N 0 0 354.453 6.165 40 30 FKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccco3)cc1)N2 ZINC000408934771 571055971 /nfs/dbraw/zinc/05/59/71/571055971.db2.gz FZBVDNFSAPGYTL-ROGXRUOCSA-N 0 0 354.453 6.165 40 30 FKEBRN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935312 571056633 /nfs/dbraw/zinc/05/66/33/571056633.db2.gz CRQSIRVSFCNIFS-WGCMYMJESA-N 0 0 366.464 5.969 40 30 FKEBRN Oc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935313 571056607 /nfs/dbraw/zinc/05/66/07/571056607.db2.gz CRQSIRVSFCNIFS-XQUDSNIVSA-N 0 0 366.464 5.969 40 30 FKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Sc3ccccc3)o2)cc1 ZINC000408935714 570701211 /nfs/dbraw/zinc/70/12/11/570701211.db2.gz NINJQUNSOGAMCP-UUYOSTAYSA-N 0 0 362.376 5.896 40 30 FKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(Cl)cc1OC ZINC000408936161 570701140 /nfs/dbraw/zinc/70/11/40/570701140.db2.gz ONPSHJNVAGYNRW-YVNNLAQVSA-N 0 0 372.774 5.212 40 30 FKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc21 ZINC000408936611 571057461 /nfs/dbraw/zinc/05/74/61/571057461.db2.gz GYIKUXYTIHPCCR-FYJGNVAPSA-N 0 0 371.436 5.352 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000408936747 570701196 /nfs/dbraw/zinc/70/11/96/570701196.db2.gz PTIIJCXVQPDUTI-ZMOGYAJESA-N 0 0 372.346 5.033 40 30 FKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1cccs1 ZINC000408936905 263508710 /nfs/dbraw/zinc/50/87/10/263508710.db2.gz LHYUYWDPUVPCNO-FZYXMWPSSA-N 0 0 356.494 6.325 40 30 FKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1cccs1 ZINC000408936913 263509306 /nfs/dbraw/zinc/50/93/06/263509306.db2.gz LHYUYWDPUVPCNO-HHPFVMFBSA-N 0 0 356.494 6.325 40 30 FKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1cccs1 ZINC000408936915 263508881 /nfs/dbraw/zinc/50/88/81/263508881.db2.gz LHYUYWDPUVPCNO-KQMYUEFMSA-N 0 0 356.494 6.325 40 30 FKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1cccs1 ZINC000408936919 570701145 /nfs/dbraw/zinc/70/11/45/570701145.db2.gz LHYUYWDPUVPCNO-QLJSOMRTSA-N 0 0 356.494 6.325 40 30 FKEBRN Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408937191 570701642 /nfs/dbraw/zinc/70/16/42/570701642.db2.gz NBMGNSDRYYUKIA-FIZBLTRDSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408937192 571057422 /nfs/dbraw/zinc/05/74/22/571057422.db2.gz NBMGNSDRYYUKIA-KHGAEZDMSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408937195 263508991 /nfs/dbraw/zinc/50/89/91/263508991.db2.gz NBMGNSDRYYUKIA-OCMSHMNRSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccccc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408937197 571057492 /nfs/dbraw/zinc/05/74/92/571057492.db2.gz NBMGNSDRYYUKIA-PCVHLMMSSA-N 0 0 364.492 6.572 40 30 FKEBRN CC1=NOC(=O)/C1=C/c1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000408937347 571057832 /nfs/dbraw/zinc/05/78/32/571057832.db2.gz IXXDIFDJGFAPMX-DEDYPNTBSA-N 0 0 357.409 5.043 40 30 FKEBRN CSc1ccccc1/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408937393 571057773 /nfs/dbraw/zinc/05/77/73/571057773.db2.gz QODAIYNFWXUXFD-YDZHTSKRSA-N 0 0 360.404 5.969 40 30 FKEBRN CC(=O)Nc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000408937945 571057871 /nfs/dbraw/zinc/05/78/71/571057871.db2.gz RFZCVHZEBPTMIQ-ZMOGYAJESA-N 0 0 371.362 5.205 40 30 FKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc3ccccc3c2)c1 ZINC000408938761 570701064 /nfs/dbraw/zinc/70/10/64/570701064.db2.gz SEXVBBLNLXXNBL-YSMPRRRNSA-N 0 0 364.370 6.400 40 30 FKEBRN Cc1cc(C=NNc2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408938865 570701667 /nfs/dbraw/zinc/70/16/67/570701667.db2.gz SLEVVWSYTPTVDC-DHRITJCHSA-N 0 0 371.406 5.867 40 30 FKEBRN Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408942138 263509421 /nfs/dbraw/zinc/50/94/21/263509421.db2.gz XSNCRETUGNMNQN-FIZBLTRDSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408942140 571058148 /nfs/dbraw/zinc/05/81/48/571058148.db2.gz XSNCRETUGNMNQN-KHGAEZDMSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408942142 571058251 /nfs/dbraw/zinc/05/82/51/571058251.db2.gz XSNCRETUGNMNQN-OCMSHMNRSA-N 0 0 364.492 6.572 40 30 FKEBRN Cc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408942144 263508779 /nfs/dbraw/zinc/50/87/79/263508779.db2.gz XSNCRETUGNMNQN-PCVHLMMSSA-N 0 0 364.492 6.572 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408942220 571058273 /nfs/dbraw/zinc/05/82/73/571058273.db2.gz WUCDABBBEBWCDJ-ZMOGYAJESA-N 0 0 356.347 5.449 40 30 FKEBRN COc1ccc2ccc(OC)c(C=NNc3ccc(C(F)(F)F)cc3)c2c1 ZINC000408942229 570702119 /nfs/dbraw/zinc/70/21/19/570702119.db2.gz WXOIZYMQUBBISI-MSXFZWOLSA-N 0 0 374.362 5.322 40 30 FKEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408942374 570701936 /nfs/dbraw/zinc/70/19/36/570701936.db2.gz XOSIUUIUJOYHTJ-FSJBWODESA-N 0 0 373.334 5.463 40 30 FKEBRN Fc1cccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 ZINC000408949421 263509111 /nfs/dbraw/zinc/50/91/11/263509111.db2.gz FKGUOQAJBBGETR-DNTJNYDQSA-N 0 0 366.248 5.702 40 30 FKEBRN CCc1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408949651 570701929 /nfs/dbraw/zinc/70/19/29/570701929.db2.gz BSEISACQTMSWLF-LZYBPNLTSA-N 0 0 357.045 5.118 40 30 FKEBRN Clc1cccc(/N=C/c2cc(Br)c(Br)o2)c1 ZINC000408949966 571059846 /nfs/dbraw/zinc/05/98/46/571059846.db2.gz CUCBEQJOWOTNEU-GIDUJCDVSA-N 0 0 363.436 5.209 40 30 FKEBRN Cc1ccc(C)c(/N=C\c2cc(Br)c(Br)o2)c1 ZINC000408950040 263509326 /nfs/dbraw/zinc/50/93/26/263509326.db2.gz DFHLLYPOGNSEBR-APSNUPSMSA-N 0 0 357.045 5.172 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 ZINC000408950067 571060223 /nfs/dbraw/zinc/06/02/23/571060223.db2.gz DHGBCHHVBDJWRR-XKZIYDEJSA-N 0 0 358.272 5.601 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1 ZINC000408950102 570701949 /nfs/dbraw/zinc/70/19/49/570701949.db2.gz DKMPQHBXGUZEGQ-STZFKDTASA-N 0 0 368.278 5.056 40 30 FKEBRN Clc1ccccc1/N=C\c1cc(Br)c(Br)o1 ZINC000408951083 570702007 /nfs/dbraw/zinc/70/20/07/570702007.db2.gz HVKVDTJSTIWWNX-UUASQNMZSA-N 0 0 363.436 5.209 40 30 FKEBRN Cc1ccc(/N=C\c2cc(Br)c(Br)o2)c(C)c1 ZINC000408951222 570701924 /nfs/dbraw/zinc/70/19/24/570701924.db2.gz IHUYBTCDOYWOJJ-APSNUPSMSA-N 0 0 357.045 5.172 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2cccc(Br)c2)cc1 ZINC000408951335 570702058 /nfs/dbraw/zinc/70/20/58/570702058.db2.gz ISRQEENHMQPZRO-KGENOOAVSA-N 0 0 368.278 5.056 40 30 FKEBRN CC(C)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408951876 570701961 /nfs/dbraw/zinc/70/19/61/570701961.db2.gz KIXOWHJFUUDYBP-CAOOACKPSA-N 0 0 371.072 5.679 40 30 FKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(-c3ccccc3)cc2)cc1 ZINC000408952212 571060598 /nfs/dbraw/zinc/06/05/98/571060598.db2.gz LLBQPYYXKVGWNM-XIEYBQDHSA-N 0 0 352.437 5.904 40 30 FKEBRN Cc1oc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(C#N)c1C ZINC000408953768 570702437 /nfs/dbraw/zinc/70/24/37/570702437.db2.gz MOWWVRDNLRSAMK-WYMPLXKRSA-N 0 0 364.832 5.751 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000408954357 263509928 /nfs/dbraw/zinc/50/99/28/263509928.db2.gz SPGQHHIBOUPMHF-HKOYGPOVSA-N 0 0 360.505 5.140 40 30 FKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000408954601 570702398 /nfs/dbraw/zinc/70/23/98/570702398.db2.gz TYWPSOHPALDSAZ-XKZIYDEJSA-N 0 0 358.272 5.601 40 30 FKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c(C#N)c1C ZINC000408954820 263510097 /nfs/dbraw/zinc/51/00/97/263510097.db2.gz NODYOCAZBUCJQV-ZVBGSRNCSA-N 0 0 369.764 5.340 40 30 FKEBRN Fc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 ZINC000408954944 570702439 /nfs/dbraw/zinc/70/24/39/570702439.db2.gz NUAYKHJYEOMJLA-DNTJNYDQSA-N 0 0 366.248 5.702 40 30 FKEBRN Clc1ccc(/N=C\c2cc(Br)c(Br)o2)cc1 ZINC000408955498 570702503 /nfs/dbraw/zinc/70/25/03/570702503.db2.gz XLIVQWHCDWCWGP-UUASQNMZSA-N 0 0 363.436 5.209 40 30 FKEBRN COc1ccc(Cl)cc1-c1ccc(/C=N/c2oc(C)c(C)c2C#N)o1 ZINC000408957810 570703339 /nfs/dbraw/zinc/70/33/39/570703339.db2.gz WEWYMFYIMYRFDD-LSHDLFTRSA-N 0 0 354.793 5.441 40 30 FKEBRN Cc1oc(/N=C/c2ccccc2OCc2ccccc2Cl)c(C#N)c1C ZINC000408958627 570703381 /nfs/dbraw/zinc/70/33/81/570703381.db2.gz ZNRLGCBBJVTYET-WYMPLXKRSA-N 0 0 364.832 5.751 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)c(Br)c1 ZINC000408959574 570702920 /nfs/dbraw/zinc/70/29/20/570702920.db2.gz BFEICSXZLGMPJT-STZFKDTASA-N 0 0 357.295 5.498 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2C(=O)OC)c1C ZINC000408959813 570702891 /nfs/dbraw/zinc/70/28/91/570702891.db2.gz GFSCGQVZCVBJEC-MYYYXRDXSA-N 0 0 374.484 5.502 40 30 FKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)c1 ZINC000408959862 570702982 /nfs/dbraw/zinc/70/29/82/570702982.db2.gz HDDDZXUQTHZVAT-XYGWBWBKSA-N 0 0 360.501 6.114 40 30 FKEBRN Cc1cc(/N=C/c2ccc(N3CCCC3)cc2C)ccc1Br ZINC000408959890 570702979 /nfs/dbraw/zinc/70/29/79/570702979.db2.gz HMSGOUOWDVCTDW-FYJGNVAPSA-N 0 0 357.295 5.417 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000408960093 570702860 /nfs/dbraw/zinc/70/28/60/570702860.db2.gz JIZHSUUFWRYEFC-OVVQPSECSA-N 0 0 372.556 7.058 40 30 FKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000408960194 571064700 /nfs/dbraw/zinc/06/47/00/571064700.db2.gz DIVSGGQNSKQJGP-XSFVSMFZSA-N 0 0 374.440 5.384 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(NC(C)=O)cc2)c1C ZINC000408960223 570702903 /nfs/dbraw/zinc/70/29/03/570702903.db2.gz JVSSHCJARKTVJG-MFKUBSTISA-N 0 0 373.500 5.674 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(C(=O)OC)c2)c1C ZINC000408960549 570703371 /nfs/dbraw/zinc/70/33/71/570703371.db2.gz MRXMMRODRGLRKR-MYYYXRDXSA-N 0 0 374.484 5.502 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc3c(c2)OCO3)c1C ZINC000408960674 570702401 /nfs/dbraw/zinc/70/24/01/570702401.db2.gz NPNCMZJZXAKFIN-CFRMEGHHSA-N 0 0 360.457 5.444 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000408960770 570702993 /nfs/dbraw/zinc/70/29/93/570702993.db2.gz ITJAUIJWPSLUJI-OQLLNIDSSA-N 0 0 363.269 5.193 40 30 FKEBRN C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCCC2)cc1 ZINC000408960862 571065135 /nfs/dbraw/zinc/06/51/35/571065135.db2.gz OWYIWUCLPBLIJK-NLRVBDNBSA-N 0 0 366.464 6.451 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)cc2F)c1C ZINC000408960866 571065173 /nfs/dbraw/zinc/06/51/73/571065173.db2.gz OYXAFGLJXQBTHX-DHRITJCHSA-N 0 0 352.428 5.994 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408960874 570703336 /nfs/dbraw/zinc/70/33/36/570703336.db2.gz PCWKDHNAVJQISX-JJIBRWJFSA-N 0 0 364.489 5.303 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cc(Cl)ccc2C)c1C ZINC000408961012 571065097 /nfs/dbraw/zinc/06/50/97/571065097.db2.gz PTAODZMHUOWFLC-AFUMVMLFSA-N 0 0 364.920 6.677 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc3ccccc3c2)c1C ZINC000408961025 571065123 /nfs/dbraw/zinc/06/51/23/571065123.db2.gz PWBKEAOJPPVACE-PKAZHMFMSA-N 0 0 366.508 6.869 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000408961087 571065488 /nfs/dbraw/zinc/06/54/88/571065488.db2.gz QYBVCLYLKNCFMA-XYGWBWBKSA-N 0 0 360.501 6.114 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([C@@H](C)CC)cc2)c1C ZINC000408961346 571064880 /nfs/dbraw/zinc/06/48/80/571064880.db2.gz RUJNKQUKAPHRTK-CICSQNLLSA-N 0 0 372.556 7.229 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc([C@H](C)CC)cc2)c1C ZINC000408961347 571065091 /nfs/dbraw/zinc/06/50/91/571065091.db2.gz RUJNKQUKAPHRTK-OVKKOYPGSA-N 0 0 372.556 7.229 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc([N+](=O)[O-])c2)c1C ZINC000408961392 571065170 /nfs/dbraw/zinc/06/51/70/571065170.db2.gz SLTVVMBVEXIOMM-UCQKPKSFSA-N 0 0 361.445 5.624 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C ZINC000408961418 571065416 /nfs/dbraw/zinc/06/54/16/571065416.db2.gz SSSYVDKTGZQAKJ-CFRMEGHHSA-N 0 0 366.892 6.075 40 30 FKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000408961730 570703816 /nfs/dbraw/zinc/70/38/16/570703816.db2.gz UZHSHGVNZHBTPZ-XIEYBQDHSA-N 0 0 355.485 6.089 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(C=Nc2ccc(C(C)=O)cc2)c1C ZINC000408962000 570703720 /nfs/dbraw/zinc/70/37/20/570703720.db2.gz WUGASVZETXSWEH-MFKUBSTISA-N 0 0 358.485 5.918 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 ZINC000408962211 571065928 /nfs/dbraw/zinc/06/59/28/571065928.db2.gz XJVSXEYBVKHFDM-HKOYGPOVSA-N 0 0 364.489 5.384 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc3ccccc32)c1C ZINC000408962235 571065591 /nfs/dbraw/zinc/06/55/91/571065591.db2.gz XNDSZTPQXGVKEV-WPWMEQJKSA-N 0 0 366.508 6.869 40 30 FKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Br)cc1C ZINC000408962267 571065413 /nfs/dbraw/zinc/06/54/13/571065413.db2.gz XVLDMDNOPMRCDY-BKUYFWCQSA-N 0 0 357.295 5.417 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(N3CCCC3)cc2C)c(Br)c1 ZINC000408962279 571065398 /nfs/dbraw/zinc/06/53/98/571065398.db2.gz XYIGDODFXRNSRV-BKUYFWCQSA-N 0 0 357.295 5.417 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C(C)(C)C)cc2)c1C ZINC000408962288 571065442 /nfs/dbraw/zinc/06/54/42/571065442.db2.gz YBZHWNKRDMKGPW-PKAZHMFMSA-N 0 0 372.556 7.013 40 30 FKEBRN CCc1cccc(C)c1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C ZINC000408962521 263510392 /nfs/dbraw/zinc/51/03/92/263510392.db2.gz YVZHLPBQPLAYPZ-UHFFFAOYSA-N 0 0 369.464 5.428 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 ZINC000408962795 571065974 /nfs/dbraw/zinc/06/59/74/571065974.db2.gz VCPAGBPGSXOQRM-QGOAFFKASA-N 0 0 350.487 5.184 40 30 FKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1C(C)(C)C ZINC000408963557 570704132 /nfs/dbraw/zinc/70/41/32/570704132.db2.gz CGFFFZAQNKWVLD-LDADJPATSA-N 0 0 367.518 5.060 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)c1 ZINC000408963714 570704199 /nfs/dbraw/zinc/70/41/99/570704199.db2.gz AKIKTCGQJPLEMJ-MFKUBSTISA-N 0 0 374.484 5.638 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 ZINC000408963955 570704184 /nfs/dbraw/zinc/70/41/84/570704184.db2.gz BJGMHQJYKGCCLR-NLRVBDNBSA-N 0 0 358.529 6.750 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408963975 263510475 /nfs/dbraw/zinc/51/04/75/263510475.db2.gz AXDAYIQROKIFQY-WGARJPEWSA-N 0 0 373.887 6.355 40 30 FKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(Cl)s3)cc2)cc1 ZINC000408964133 263510661 /nfs/dbraw/zinc/51/06/61/263510661.db2.gz BVDQFGRIBNOHSA-YBFXNURJSA-N 0 0 374.874 6.212 40 30 FKEBRN CCOC(=O)c1cccc(/N=C\c2cc(C)n(-c3ccccc3CC)c2C)c1 ZINC000408964187 570704211 /nfs/dbraw/zinc/70/42/11/570704211.db2.gz BRIDEQVNQJRZJJ-XYGWBWBKSA-N 0 0 374.484 5.584 40 30 FKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408964265 263511264 /nfs/dbraw/zinc/51/12/64/263511264.db2.gz CNXFTUZIVBELGD-YZSQISJMSA-N 0 0 358.529 6.705 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)c1 ZINC000408964285 570704113 /nfs/dbraw/zinc/70/41/13/570704113.db2.gz CSHCQVGGJNJNFZ-IWIPYMOSSA-N 0 0 360.457 5.330 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 ZINC000408964515 263510709 /nfs/dbraw/zinc/51/07/09/263510709.db2.gz CWNOWXFXCRITLR-CVKSISIWSA-N 0 0 367.452 5.596 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(C(=O)OC)c2)c1C ZINC000408964773 263510348 /nfs/dbraw/zinc/51/03/48/263510348.db2.gz DVFDMZWGXNULEJ-IWIPYMOSSA-N 0 0 360.457 5.194 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965037 263510390 /nfs/dbraw/zinc/51/03/90/263510390.db2.gz FPORIXMAHOYSFJ-QQXSKIMKSA-N 0 0 358.529 6.759 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965045 263511098 /nfs/dbraw/zinc/51/10/98/263511098.db2.gz FRHGCIOMRXOGIM-WPWMEQJKSA-N 0 0 372.556 7.266 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(CC)cc3)c2C)c1 ZINC000408965119 570704562 /nfs/dbraw/zinc/70/45/62/570704562.db2.gz GHBUBGMEIDUMDL-PCLIKHOPSA-N 0 0 374.484 5.584 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)c1 ZINC000408965127 571068796 /nfs/dbraw/zinc/06/87/96/571068796.db2.gz GIZHWWPXCIJFQS-MYYYXRDXSA-N 0 0 374.484 5.638 40 30 FKEBRN Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc2ncccc2c1 ZINC000408965152 570704641 /nfs/dbraw/zinc/70/46/41/570704641.db2.gz HBNRARBBYWECLM-MXAYSNPKSA-N 0 0 369.424 5.122 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)c1 ZINC000408965182 570704589 /nfs/dbraw/zinc/70/45/89/570704589.db2.gz GTAAHZMUWBMEDP-HAHDFKILSA-N 0 0 352.478 5.022 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408965357 571068920 /nfs/dbraw/zinc/06/89/20/571068920.db2.gz KPYWDPWEFPMCSY-DQPIFXJKSA-N 0 0 366.486 5.064 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408965358 263510726 /nfs/dbraw/zinc/51/07/26/263510726.db2.gz KPYWDPWEFPMCSY-SJPXOZHESA-N 0 0 366.486 5.064 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408965394 570704569 /nfs/dbraw/zinc/70/45/69/570704569.db2.gz GUYJUBOAJWXWBU-WGOQTCKBSA-N 0 0 372.512 6.345 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2C)c1C ZINC000408965517 571071097 /nfs/dbraw/zinc/07/10/97/571071097.db2.gz HZONCNJDPLMQDP-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)c1 ZINC000408965753 570704668 /nfs/dbraw/zinc/70/46/68/570704668.db2.gz IHRZQLXRYDEZDO-OYKKKHCWSA-N 0 0 364.420 5.161 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2Cl)c1C ZINC000408965755 570704651 /nfs/dbraw/zinc/70/46/51/570704651.db2.gz IJIAFZBRSOXHKN-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)c(Cl)c2)c1C ZINC000408965797 571071011 /nfs/dbraw/zinc/07/10/11/571071011.db2.gz IPNPNWXRQKDMIP-ZMOGYAJESA-N 0 0 354.856 6.200 40 30 FKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965851 263510689 /nfs/dbraw/zinc/51/06/89/263510689.db2.gz JDOFRHACDTUMOJ-WPWMEQJKSA-N 0 0 372.556 7.266 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408965858 571071101 /nfs/dbraw/zinc/07/11/01/571071101.db2.gz JFUCZBNYYFRZCZ-ONUIUJJFSA-N 0 0 374.528 6.541 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc3ccccc32)c1C ZINC000408966068 263510358 /nfs/dbraw/zinc/51/03/58/263510358.db2.gz JSZUKAGPBGLKQA-YZSQISJMSA-N 0 0 352.481 6.560 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2C)c1C ZINC000408966087 570704685 /nfs/dbraw/zinc/70/46/85/570704685.db2.gz JVCJYBMXSHZABX-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc3ncccc3c2)c1C ZINC000408966138 263510672 /nfs/dbraw/zinc/51/06/72/263510672.db2.gz KCNBENWSMXKDEG-WGOQTCKBSA-N 0 0 353.469 5.955 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966151 263511017 /nfs/dbraw/zinc/51/10/17/263511017.db2.gz KDEGLUBVHINJQV-MYYYXRDXSA-N 0 0 364.920 6.796 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966180 263510960 /nfs/dbraw/zinc/51/09/60/263510960.db2.gz KHYAFSGKLJYQNP-WGOQTCKBSA-N 0 0 358.529 6.759 40 30 FKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408966184 570703385 /nfs/dbraw/zinc/70/33/85/570703385.db2.gz KIPNOCFGIUQUGY-ONUIUJJFSA-N 0 0 374.528 6.019 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2C(=O)OC)c1C ZINC000408966277 570703354 /nfs/dbraw/zinc/70/33/54/570703354.db2.gz LBSYEGRUULJZDZ-IWIPYMOSSA-N 0 0 360.457 5.194 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408966333 263510527 /nfs/dbraw/zinc/51/05/27/263510527.db2.gz LPPZACIOGCXUHW-VULFUBBASA-N 0 0 357.432 5.840 40 30 FKEBRN Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408966338 570703319 /nfs/dbraw/zinc/70/33/19/570703319.db2.gz LTEVPNZGIUMKAF-QQXSKIMKSA-N 0 0 368.484 5.459 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)c1 ZINC000408966396 570703273 /nfs/dbraw/zinc/70/32/73/570703273.db2.gz LIXOLNDIROHKNV-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)c1 ZINC000408966411 570703419 /nfs/dbraw/zinc/70/34/19/570703419.db2.gz LMBWDCYWBGEDHD-BUVRLJJBSA-N 0 0 360.457 5.330 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)c(Cl)c2)c1C ZINC000408966429 571070212 /nfs/dbraw/zinc/07/02/12/571070212.db2.gz LPGIQVCONRKYDJ-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(Cl)c2Cl)c1C ZINC000408966435 570703325 /nfs/dbraw/zinc/70/33/25/570703325.db2.gz LQBNJMWFCGIROD-CFRMEGHHSA-N 0 0 371.311 6.714 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)cc1 ZINC000408966457 570703391 /nfs/dbraw/zinc/70/33/91/570703391.db2.gz ONJMISKDDARHRQ-RCCKNPSSSA-N 0 0 370.477 5.554 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966476 263510701 /nfs/dbraw/zinc/51/07/01/263510701.db2.gz LWOGPQFEBKOJOA-WGOQTCKBSA-N 0 0 355.485 6.014 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)cc1 ZINC000408966505 571070165 /nfs/dbraw/zinc/07/01/65/571070165.db2.gz OVNGTCWGCOLSEG-CPNJWEJPSA-N 0 0 360.438 5.147 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)c1 ZINC000408966611 570704134 /nfs/dbraw/zinc/70/41/34/570704134.db2.gz MNHNDQPDFYDFPR-PCLIKHOPSA-N 0 0 374.484 5.584 40 30 FKEBRN Cc1cc(/N=C\c2ccc(Cl)s2)ccc1I ZINC000408966647 570704101 /nfs/dbraw/zinc/70/41/01/570704101.db2.gz NHNTWWKWXYEMBH-CHHVJCJISA-N 0 0 361.635 5.065 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C(C)(C)C)cc2)c1C ZINC000408966655 570704564 /nfs/dbraw/zinc/70/45/64/570704564.db2.gz MVCSDKXJFXZHDJ-ONUIUJJFSA-N 0 0 358.529 6.705 40 30 FKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966663 571070075 /nfs/dbraw/zinc/07/00/75/571070075.db2.gz MWVOXZJDQVVHRO-QQXSKIMKSA-N 0 0 358.529 6.759 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)OC)cc2)c1C ZINC000408966681 571070088 /nfs/dbraw/zinc/07/00/88/571070088.db2.gz MYNAMDRMSFLFLK-BUVRLJJBSA-N 0 0 360.457 5.194 40 30 FKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408966753 570704558 /nfs/dbraw/zinc/70/45/58/570704558.db2.gz NYKOPSXUVLTIQT-OYKKKHCWSA-N 0 0 370.412 5.301 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)OC)c2C)c1C ZINC000408966770 570704672 /nfs/dbraw/zinc/70/46/72/570704672.db2.gz NJULVYLVDIYYAI-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Cl)s2)S1 ZINC000408966771 263510580 /nfs/dbraw/zinc/51/05/80/263510580.db2.gz NZCPGZWRFGGIOL-GHXNOFRVSA-N 0 0 369.298 5.255 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3cccc(C)c3)c2C)c1 ZINC000408966814 263510657 /nfs/dbraw/zinc/51/06/57/263510657.db2.gz NORIQJJZAOHYEY-IWIPYMOSSA-N 0 0 360.457 5.330 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc2ncccc2c1 ZINC000408966905 571070485 /nfs/dbraw/zinc/07/04/85/571070485.db2.gz OWGVBWBCEIPXFY-VULFUBBASA-N 0 0 373.887 6.355 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2O)c1C ZINC000408966951 570704656 /nfs/dbraw/zinc/70/46/56/570704656.db2.gz OFPLBKRYVDCWMY-QRVIBDJDSA-N 0 0 352.865 5.766 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(NC(C)=O)cc2)c1C ZINC000408967316 571070544 /nfs/dbraw/zinc/07/05/44/571070544.db2.gz PWSRHDXTXFSZHS-BUVRLJJBSA-N 0 0 359.473 5.366 40 30 FKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 ZINC000408967473 263512027 /nfs/dbraw/zinc/51/20/27/263512027.db2.gz SBNFVLRHZMKPKJ-MYYYXRDXSA-N 0 0 355.441 5.402 40 30 FKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 ZINC000408967490 571070581 /nfs/dbraw/zinc/07/05/81/571070581.db2.gz SJSYXTMOYGHPPP-QQXSKIMKSA-N 0 0 369.468 5.792 40 30 FKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1ccc2ncccc2c1 ZINC000408967519 570705064 /nfs/dbraw/zinc/70/50/64/570705064.db2.gz TUPXXGOKSWXIHZ-YSMPRRRNSA-N 0 0 353.469 6.010 40 30 FKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cn1 ZINC000408967581 570705021 /nfs/dbraw/zinc/70/50/21/570705021.db2.gz RCCKWPZKOBUFFD-OYKKKHCWSA-N 0 0 361.489 5.546 40 30 FKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408967608 571070573 /nfs/dbraw/zinc/07/05/73/571070573.db2.gz RFVGKLFUNHIPJU-YZSQISJMSA-N 0 0 358.529 6.705 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)c1 ZINC000408967639 571070757 /nfs/dbraw/zinc/07/07/57/571070757.db2.gz RJJHPQRITBPFEN-MYYYXRDXSA-N 0 0 374.484 5.638 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408967671 570705054 /nfs/dbraw/zinc/70/50/54/570705054.db2.gz RMXYNMMNEXYWND-WGOQTCKBSA-N 0 0 372.512 6.345 40 30 FKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C ZINC000408967801 571070711 /nfs/dbraw/zinc/07/07/11/571070711.db2.gz SFJGIPVGAMTIRF-PCLIKHOPSA-N 0 0 360.501 6.151 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967819 571070681 /nfs/dbraw/zinc/07/06/81/571070681.db2.gz SHKBKMWPEZWPGA-MFKUBSTISA-N 0 0 364.920 6.796 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cc(Cl)ccc2OC)c1C ZINC000408967880 570705098 /nfs/dbraw/zinc/70/50/98/570705098.db2.gz SMCQWLDSGHJDDN-ZVHZXABRSA-N 0 0 366.892 6.069 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967885 571071131 /nfs/dbraw/zinc/07/11/31/571071131.db2.gz SNBFCUOFGPLQLE-VULFUBBASA-N 0 0 366.455 6.420 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cc(Cl)ccc2C)c1C ZINC000408967893 570705100 /nfs/dbraw/zinc/70/51/00/570705100.db2.gz SNVXLBKRHXOCBE-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967917 571071143 /nfs/dbraw/zinc/07/11/43/571071143.db2.gz SUJRVILGNWKSLR-MYYYXRDXSA-N 0 0 364.920 6.796 40 30 FKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 ZINC000408967932 571070955 /nfs/dbraw/zinc/07/09/55/571070955.db2.gz SVCADNZAMZNYRY-PCLIKHOPSA-N 0 0 374.484 5.584 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cc(C(=O)OC)ccc2C)c1C ZINC000408967938 571070989 /nfs/dbraw/zinc/07/09/89/571070989.db2.gz SVTASTYUFLFVKY-MFKUBSTISA-N 0 0 374.484 5.502 40 30 FKEBRN Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967990 571071172 /nfs/dbraw/zinc/07/11/72/571071172.db2.gz TXGMTGPPAAPTAJ-ONUIUJJFSA-N 0 0 373.544 6.208 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968095 263512032 /nfs/dbraw/zinc/51/20/32/263512032.db2.gz WJYUBEQEWSKZGN-QFEZKATASA-N 0 0 359.860 6.046 40 30 FKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 ZINC000408968426 571071015 /nfs/dbraw/zinc/07/10/15/571071015.db2.gz YTSAKGKALZLDDQ-CVKSISIWSA-N 0 0 367.452 5.596 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1 ZINC000408968469 263512219 /nfs/dbraw/zinc/51/22/19/263512219.db2.gz ZDFABEULWMBQID-QFEZKATASA-N 0 0 359.860 6.046 40 30 FKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968496 571071134 /nfs/dbraw/zinc/07/11/34/571071134.db2.gz ZRVCAWLOLWJXJE-OYKKKHCWSA-N 0 0 370.412 5.301 40 30 FKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc2ncccc2c1 ZINC000408968514 571071106 /nfs/dbraw/zinc/07/11/06/571071106.db2.gz ZXHNSVIUHYBICY-LGJNPRDNSA-N 0 0 361.395 5.671 40 30 FKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)c1 ZINC000408968581 570705089 /nfs/dbraw/zinc/70/50/89/570705089.db2.gz XOPWPIVYQNTIEP-ZVHZXABRSA-N 0 0 364.420 5.161 40 30 FKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408968758 263511681 /nfs/dbraw/zinc/51/16/81/263511681.db2.gz YRRLQRJSALSQKF-XYGWBWBKSA-N 0 0 360.501 6.151 40 30 FKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 ZINC000408968788 571071186 /nfs/dbraw/zinc/07/11/86/571071186.db2.gz ZCSQJWOCWAMCNL-ONUIUJJFSA-N 0 0 374.528 6.541 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc3ccccc3c2)c1C ZINC000408968794 570705102 /nfs/dbraw/zinc/70/51/02/570705102.db2.gz ZEQMJVDPCKCBKR-ONUIUJJFSA-N 0 0 352.481 6.560 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000408968804 570705082 /nfs/dbraw/zinc/70/50/82/570705082.db2.gz ZJAFUMKYLHKDDU-UCQKPKSFSA-N 0 0 361.445 5.624 40 30 FKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C)c(Cl)c2)c1C ZINC000408968852 570705125 /nfs/dbraw/zinc/70/51/25/570705125.db2.gz ZRYVSRXFZOGLRH-ZVHZXABRSA-N 0 0 350.893 6.369 40 30 FKEBRN C=CCN(C(=O)Nc1cc2ccncc2c2ncccc12)c1ccccc1 ZINC000408973324 570705510 /nfs/dbraw/zinc/70/55/10/570705510.db2.gz ANXVOGZMBZSMDN-UHFFFAOYSA-N 0 0 354.413 5.008 40 30 FKEBRN Cc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408973749 571084948 /nfs/dbraw/zinc/08/49/48/571084948.db2.gz BJQZPMOCNFTHCR-FSJBWODESA-N 0 0 369.380 5.802 40 30 FKEBRN C=CCN(C(=O)Nc1cc2ncccc2c2cccnc12)c1ccccc1 ZINC000408973819 263511890 /nfs/dbraw/zinc/51/18/90/263511890.db2.gz BYPQDUHTSUGBJY-UHFFFAOYSA-N 0 0 354.413 5.008 40 30 FKEBRN COc1cccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000408973827 263512039 /nfs/dbraw/zinc/51/20/39/263512039.db2.gz CARQWLGXMZWWAC-YDZHTSKRSA-N 0 0 358.353 5.430 40 30 FKEBRN CCCCCCCCNC(=O)Nc1cc2ccncc2c2ncccc12 ZINC000408973907 570705547 /nfs/dbraw/zinc/70/55/47/570705547.db2.gz CMJMRSRWRJXXML-UHFFFAOYSA-N 0 0 350.466 5.265 40 30 FKEBRN Cc1ccccc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408974220 570705516 /nfs/dbraw/zinc/70/55/16/570705516.db2.gz DJZAQUXDCMNKBY-WPWMEQJKSA-N 0 0 362.432 6.544 40 30 FKEBRN N#Cc1c(/N=C/c2ccccc2Cl)oc(-c2ccco2)c1-c1ccco1 ZINC000408974242 571085318 /nfs/dbraw/zinc/08/53/18/571085318.db2.gz DNYAQQLGBUZUTR-FSJBWODESA-N 0 0 362.772 6.075 40 30 FKEBRN Cc1ccsc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000408974505 570705370 /nfs/dbraw/zinc/70/53/70/570705370.db2.gz ARFZPZFUFOCGAC-IPBDZQFASA-N 0 0 356.266 5.078 40 30 FKEBRN CCCCCCCCNC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408974594 263513105 /nfs/dbraw/zinc/51/31/05/263513105.db2.gz BSDJEKPRJUXTLL-UHFFFAOYSA-N 0 0 374.488 5.355 40 30 FKEBRN CCCCCCCCNC(=S)Nc1cc2ccncc2c2ncccc12 ZINC000408974628 571085344 /nfs/dbraw/zinc/08/53/44/571085344.db2.gz FSADZEHTXKJUJX-UHFFFAOYSA-N 0 0 366.534 5.430 40 30 FKEBRN CCCCCCCCNC(=S)Nc1cc2cccnc2c2cccnc12 ZINC000408974642 263513263 /nfs/dbraw/zinc/51/32/63/263513263.db2.gz FVSARNXLFCOVSZ-UHFFFAOYSA-N 0 0 366.534 5.430 40 30 FKEBRN CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000408974874 570705802 /nfs/dbraw/zinc/70/58/02/570705802.db2.gz HUKZRNIJCSAJAK-SRZZPIQSSA-N 0 0 353.447 5.281 40 30 FKEBRN C=CCOc1ccc(/C=C2\Sc3ccccc3C2=O)cc1Br ZINC000408975754 263512954 /nfs/dbraw/zinc/51/29/54/263512954.db2.gz MSVFRCYZDZSDEG-BOPFTXTBSA-N 0 0 373.271 5.343 40 30 FKEBRN N#Cc1c(/N=C/c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccco1 ZINC000408975828 570706147 /nfs/dbraw/zinc/70/61/47/570706147.db2.gz OACMFUZDYZOOHB-AFUMVMLFSA-N 0 0 372.811 6.482 40 30 FKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408975910 570706204 /nfs/dbraw/zinc/70/62/04/570706204.db2.gz CQIZFWUUOYCDPC-BUVRLJJBSA-N 0 0 360.526 6.917 40 30 FKEBRN Clc1ccc(CN=Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 ZINC000408976188 570706355 /nfs/dbraw/zinc/70/63/55/570706355.db2.gz QFBYTWMEDXRSJM-JAIQZWGSSA-N 0 0 369.833 5.763 40 30 FKEBRN COc1cc(C)c(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1C(C)C ZINC000408976243 571088787 /nfs/dbraw/zinc/08/87/87/571088787.db2.gz ADIRTWRPQLZWNY-UHFFFAOYSA-N 0 0 357.457 5.140 40 30 FKEBRN O=C1/C(=C/c2cccc(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408976857 570706676 /nfs/dbraw/zinc/70/66/76/570706676.db2.gz UHEAKTVXGBKVLS-WELATPIXSA-N 0 0 374.440 5.634 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(F)cc3F)o1)CCCC2 ZINC000408976872 570706582 /nfs/dbraw/zinc/70/65/82/570706582.db2.gz ULQWUTSERAXOGM-BHGWPJFGSA-N 0 0 368.408 5.787 40 30 FKEBRN Cc1ccccc1/C=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c21 ZINC000408976924 570706561 /nfs/dbraw/zinc/70/65/61/570706561.db2.gz SYABIJSBYHSPCY-FSJBWODESA-N 0 0 369.380 5.802 40 30 FKEBRN Oc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000408976934 571089651 /nfs/dbraw/zinc/08/96/51/571089651.db2.gz HCPLYMJDKSAFPI-OEAKJJBVSA-N 0 0 362.498 6.314 40 30 FKEBRN COc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000408976985 570706530 /nfs/dbraw/zinc/70/65/30/570706530.db2.gz UEFJJSWDJOOYET-YDZHTSKRSA-N 0 0 358.353 5.430 40 30 FKEBRN CCCCCCCCNC(=S)Nc1cc2ncccc2c2cccnc12 ZINC000408977117 570706521 /nfs/dbraw/zinc/70/65/21/570706521.db2.gz UGRFFWOJYWTRRQ-UHFFFAOYSA-N 0 0 366.534 5.430 40 30 FKEBRN CCCCCCCCNC(=S)Nc1cc2cccnc2c2ncccc12 ZINC000408977192 571089799 /nfs/dbraw/zinc/08/97/99/571089799.db2.gz VUUFIVBOLXDIMD-UHFFFAOYSA-N 0 0 366.534 5.430 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1cc3ccccc3nc1Cl)CCCC2 ZINC000408977326 570707044 /nfs/dbraw/zinc/70/70/44/570707044.db2.gz VKQPLMBFUAFSIA-SSDVNMTOSA-N 0 0 351.862 5.451 40 30 FKEBRN Cc1ccc(-c2nc(N=NC3CCCC3)sc2-c2ccccc2)cc1C ZINC000408977521 570706916 /nfs/dbraw/zinc/70/69/16/570706916.db2.gz WHCMWQBXLRASMN-UHFFFAOYSA-N 0 0 361.514 6.436 40 30 FKEBRN C=CCN(C(=S)Nc1cc2ncccc2c2cccnc12)c1ccccc1 ZINC000408977987 570706955 /nfs/dbraw/zinc/70/69/55/570706955.db2.gz XLVZWSLMJCCLAX-UHFFFAOYSA-N 0 0 370.481 5.172 40 30 FKEBRN CC(C)COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)c2ccccc12 ZINC000408978051 571090183 /nfs/dbraw/zinc/09/01/83/571090183.db2.gz GUUKWADFRKAYLM-UHFFFAOYSA-N 0 0 371.484 5.100 40 30 FKEBRN C(=N/c1ncnc2oc(-c3ccco3)c(-c3ccco3)c21)\c1ccccc1 ZINC000408978169 571090187 /nfs/dbraw/zinc/09/01/87/571090187.db2.gz YOMHYEHWSJEYNZ-WSDLNYQXSA-N 0 0 355.353 5.493 40 30 FKEBRN Cc1nc(N)c(C#N)c(-c2ccc3[nH]c4ccccc4c3c2)c1-c1ccccc1 ZINC000408979033 571091686 /nfs/dbraw/zinc/09/16/86/571091686.db2.gz KWDCYZSNCVFIDD-UHFFFAOYSA-N 0 0 374.447 5.643 40 30 FKEBRN COc1ccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c2ccccc12 ZINC000408979127 571091724 /nfs/dbraw/zinc/09/17/24/571091724.db2.gz LMHZYHMWMYUSAM-UHFFFAOYSA-N 0 0 365.436 5.170 40 30 FKEBRN Fc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408979182 570707333 /nfs/dbraw/zinc/70/73/33/570707333.db2.gz PPALWEHETHVLRF-ZVHZXABRSA-N 0 0 364.489 6.748 40 30 FKEBRN CCOc1ccc2ccccc2c1-c1c(C#N)c(N)ncc1-c1ccccc1 ZINC000408979295 571091719 /nfs/dbraw/zinc/09/17/19/571091719.db2.gz MEWBPSMXIJVSDR-UHFFFAOYSA-N 0 0 365.436 5.252 40 30 FKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCC(C)C)cc2)c1-c1ccccc1 ZINC000408979304 571091702 /nfs/dbraw/zinc/09/17/02/571091702.db2.gz MJBUHNRRHUUQQX-UHFFFAOYSA-N 0 0 357.457 5.043 40 30 FKEBRN Oc1ccccc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408979474 570707277 /nfs/dbraw/zinc/70/72/77/570707277.db2.gz QWSUIODHALQXFR-OEAKJJBVSA-N 0 0 362.498 6.314 40 30 FKEBRN O=C1/C(=C\c2ccsc2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000408980594 571097138 /nfs/dbraw/zinc/09/71/38/571097138.db2.gz FWWHXLLQKWOEBS-KXNKKEQVSA-N 0 0 368.527 5.685 40 30 FKEBRN COc1ccc2ccccc2c1-c1c(C#N)c(N)nc(C)c1-c1ccccc1 ZINC000408980699 571097382 /nfs/dbraw/zinc/09/73/82/571097382.db2.gz SKAFJLFIOMDNFV-UHFFFAOYSA-N 0 0 365.436 5.170 40 30 FKEBRN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1ccsc1)CCCC2 ZINC000408981022 571097549 /nfs/dbraw/zinc/09/75/49/571097549.db2.gz HHNOMEJEMRMCMY-CIAFOILYSA-N 0 0 372.559 5.502 40 30 FKEBRN COc1cc(C)c(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)cc1C(C)C ZINC000408981708 263513954 /nfs/dbraw/zinc/51/39/54/263513954.db2.gz WFEPBBJZRZNVFP-UHFFFAOYSA-N 0 0 371.484 5.449 40 30 FKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc2[nH]c3ccccc3c2c1 ZINC000408981996 571098694 /nfs/dbraw/zinc/09/86/94/571098694.db2.gz XDHGHOFBTJJIBC-UHFFFAOYSA-N 0 0 360.420 5.334 40 30 FKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408985270 570707806 /nfs/dbraw/zinc/70/78/06/570707806.db2.gz AMOABIHSOMABEC-ATVHPVEESA-N 0 0 372.877 5.020 40 30 FKEBRN CC(C)(C)c1cc(C=C2C(=O)CC(C)(C)CC2=O)cc(C(C)(C)C)c1O ZINC000408985952 570707802 /nfs/dbraw/zinc/70/78/02/570707802.db2.gz OFLGRFGQOIVSKD-UHFFFAOYSA-N 0 0 356.506 5.329 40 30 FKEBRN Cc1ccc(-c2cnc(N)c(C#N)c2-c2cccc(Cl)c2Cl)cc1 ZINC000408985973 571106643 /nfs/dbraw/zinc/10/66/43/571106643.db2.gz OGLZBXQNGMRHNR-UHFFFAOYSA-N 0 0 354.240 5.315 40 30 FKEBRN Brc1ccc(/C=N/N(c2ccccc2)c2ccccc2)s1 ZINC000408988605 570708620 /nfs/dbraw/zinc/70/86/20/570708620.db2.gz DZAJYXOZFSVXPQ-CPNJWEJPSA-N 0 0 357.276 5.683 40 30 FKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1ccc(C)cc1 ZINC000408989097 570708729 /nfs/dbraw/zinc/70/87/29/570708729.db2.gz GXJRVLFMOKHUNL-IWIPYMOSSA-N 0 0 354.457 5.397 40 30 FKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cccc(Cl)c1Cl ZINC000408991260 570708718 /nfs/dbraw/zinc/70/87/18/570708718.db2.gz PYUCEHNFRCDACD-JYRVWZFOSA-N 0 0 367.232 5.024 40 30 FKEBRN Cc1nn(-c2ccc(C)cc2)c(C)c1C=NNc1cccc2ccccc21 ZINC000408992402 570708673 /nfs/dbraw/zinc/70/86/73/570708673.db2.gz BBSRZHZOEOGHBA-BUVRLJJBSA-N 0 0 354.457 5.397 40 30 FKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1cccc2ccccc21 ZINC000408992793 570709511 /nfs/dbraw/zinc/70/95/11/570709511.db2.gz CBFZQNCVXVZRLX-MFKUBSTISA-N 0 0 368.484 5.705 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(Cl)c3Cl)S2)cc1 ZINC000408993664 570709441 /nfs/dbraw/zinc/70/94/41/570709441.db2.gz XAHQCFSKZXAWHQ-ZROIWOOFSA-N 0 0 363.269 5.193 40 30 FKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C1\Sc2ccccc2C1=O ZINC000408994427 571110334 /nfs/dbraw/zinc/11/03/34/571110334.db2.gz HMIWFDDXOVZTCY-MTJSOVHGSA-N 0 0 360.482 5.435 40 30 FKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C1\Sc2ccccc2C1=O ZINC000408994526 570709827 /nfs/dbraw/zinc/70/98/27/570709827.db2.gz GLNYPGWNEVLQEW-MTJSOVHGSA-N 0 0 360.482 5.435 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408994561 571110458 /nfs/dbraw/zinc/11/04/58/571110458.db2.gz GRLNJPLTVLVQKH-OYKKKHCWSA-N 0 0 374.513 5.352 40 30 FKEBRN Brc1cc(C=NNc2ccccn2)oc1Sc1ccccc1 ZINC000408995741 570709027 /nfs/dbraw/zinc/70/90/27/570709027.db2.gz DMQJTEDJQHSUEO-ODLFYWEKSA-N 0 0 374.263 5.034 40 30 FKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1ccc(C)c(C)c1 ZINC000408996577 570709044 /nfs/dbraw/zinc/70/90/44/570709044.db2.gz QDQVDOKYXVGINV-MYYYXRDXSA-N 0 0 368.484 5.705 40 30 FKEBRN Cc1ccsc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O ZINC000408997932 570710136 /nfs/dbraw/zinc/71/01/36/570710136.db2.gz PBZGRCBJIWBNAK-QPEQYQDCSA-N 0 0 369.298 5.255 40 30 FKEBRN Cc1c2ccccc2c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408997975 263515254 /nfs/dbraw/zinc/51/52/54/263515254.db2.gz PNDRTLZNPLFASZ-UCQKPKSFSA-N 0 0 355.397 5.656 40 30 FKEBRN C=CCN(CC=C)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408998010 570710145 /nfs/dbraw/zinc/71/01/45/570710145.db2.gz PUQLRAHVBMHDHM-UHFFFAOYSA-N 0 0 374.469 5.204 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000408999223 263515226 /nfs/dbraw/zinc/51/52/26/263515226.db2.gz UAJUJMUWXJLPHP-CFRMEGHHSA-N 0 0 357.379 5.559 40 30 FKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1ccc(C)cc1C ZINC000408999418 571110800 /nfs/dbraw/zinc/11/08/00/571110800.db2.gz KVZNRGJKUMJODM-MYYYXRDXSA-N 0 0 368.484 5.705 40 30 FKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1cccc2ccccc21 ZINC000408999467 571110798 /nfs/dbraw/zinc/11/07/98/571110798.db2.gz LGSNFHXUMUDYNH-MFKUBSTISA-N 0 0 368.484 5.705 40 30 FKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(C)cccc1C ZINC000408999496 570710609 /nfs/dbraw/zinc/71/06/09/570710609.db2.gz LJYAVRFOTMRTRV-XKZIYDEJSA-N 0 0 362.433 5.065 40 30 FKEBRN Brc1cc(C=NNc2ccccc2)oc1Sc1ccccc1 ZINC000409000548 570710537 /nfs/dbraw/zinc/71/05/37/570710537.db2.gz YQUKJODODVAGPJ-UNOMPAQXSA-N 0 0 373.275 5.639 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccccc1Br ZINC000409000705 263515811 /nfs/dbraw/zinc/51/58/11/263515811.db2.gz ZPSQIAOWFLOPQA-FYJGNVAPSA-N 0 0 368.278 5.303 40 30 FKEBRN Cc1ccsc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000409002175 570711060 /nfs/dbraw/zinc/71/10/60/570711060.db2.gz YPIWKAOKYXQCDT-GHXNOFRVSA-N 0 0 369.298 5.255 40 30 FKEBRN Cc1cccc(Cn2cc(/C=N\OCc3ccccc3)c3ccccc32)c1 ZINC000409002321 263516693 /nfs/dbraw/zinc/51/66/93/263516693.db2.gz TVNKRVNUKQTYHE-MYYYXRDXSA-N 0 0 354.453 5.549 40 30 FKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(Sc2ccccc2)o1 ZINC000409002418 570711053 /nfs/dbraw/zinc/71/10/53/570711053.db2.gz ZTZCBVWAEQEGJB-HKOYGPOVSA-N 0 0 370.477 6.603 40 30 FKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)S2)c(C)c1 ZINC000409005895 570711445 /nfs/dbraw/zinc/71/14/45/570711445.db2.gz GHHXAKQQUKZWKY-MOSHPQCFSA-N 0 0 374.465 5.455 40 30 FKEBRN CCCCOc1ccc2ccccc2c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000409005945 263516969 /nfs/dbraw/zinc/51/69/69/263516969.db2.gz GPFPOLAWOCAFAK-JCMHNJIXSA-N 0 0 363.417 5.373 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409007616 570711807 /nfs/dbraw/zinc/71/18/07/570711807.db2.gz PVDCQSHAGPJXOW-WSDLNYQXSA-N 0 0 358.272 5.847 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409008619 570712581 /nfs/dbraw/zinc/71/25/81/570712581.db2.gz YUXHSKPQMMYNKV-WSDLNYQXSA-N 0 0 358.272 5.847 40 30 FKEBRN CCCCOc1ccc2ccccc2c1C=NNc1ccc2ccccc2n1 ZINC000409009135 571110943 /nfs/dbraw/zinc/11/09/43/571110943.db2.gz WSGSCRUHWUOWPR-KOEQRZSOSA-N 0 0 369.468 6.013 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000409009267 571111341 /nfs/dbraw/zinc/11/13/41/571111341.db2.gz CPYRPMDCSUHVGN-GZPJKGAFSA-N 0 0 363.888 6.935 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000409009268 570712226 /nfs/dbraw/zinc/71/22/26/570712226.db2.gz CPYRPMDCSUHVGN-XUANBZSPSA-N 0 0 363.888 6.935 40 30 FKEBRN Cc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1F ZINC000409009276 570712142 /nfs/dbraw/zinc/71/21/42/570712142.db2.gz CTQWFGKCTCXURW-CIAFOILYSA-N 0 0 357.226 5.438 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl ZINC000409009599 570712139 /nfs/dbraw/zinc/71/21/39/570712139.db2.gz GSDKPDWUORMXHI-SSDVNMTOSA-N 0 0 357.768 5.276 40 30 FKEBRN COC(=O)c1cc(/N=C/c2ccc(-c3cccc(F)c3)o2)ccc1Cl ZINC000409009728 570712191 /nfs/dbraw/zinc/71/21/91/570712191.db2.gz BPGVUTFZGREJBD-SSDVNMTOSA-N 0 0 357.768 5.276 40 30 FKEBRN Clc1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 ZINC000409009955 570712154 /nfs/dbraw/zinc/71/21/54/570712154.db2.gz CQVHNYCYDFHOAS-NDENLUEZSA-N 0 0 359.654 5.644 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2C)cc1Cl ZINC000409010029 570712151 /nfs/dbraw/zinc/71/21/51/570712151.db2.gz JGJCFYBXOFPNOX-LVCXCXRVSA-N 0 0 359.853 5.363 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2C)cc1Cl ZINC000409010031 570712165 /nfs/dbraw/zinc/71/21/65/570712165.db2.gz JGJCFYBXOFPNOX-OFJBCHTGSA-N 0 0 359.853 5.363 40 30 FKEBRN C=CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@@H](C)CC)C1=O ZINC000409010036 570712152 /nfs/dbraw/zinc/71/21/52/570712152.db2.gz AZZCBFGWWUQMEY-ITRAFESCSA-N 0 0 367.470 5.239 40 30 FKEBRN C=CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)CC)C1=O ZINC000409010039 570712172 /nfs/dbraw/zinc/71/21/72/570712172.db2.gz AZZCBFGWWUQMEY-NFECSFHCSA-N 0 0 367.470 5.239 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 ZINC000409010294 571111382 /nfs/dbraw/zinc/11/13/82/571111382.db2.gz BVRHBKVDEXNJQD-DTVDJLOLSA-N 0 0 350.893 6.703 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 ZINC000409010295 571111258 /nfs/dbraw/zinc/11/12/58/571111258.db2.gz BVRHBKVDEXNJQD-WTJYETQFSA-N 0 0 350.893 6.703 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2C)cc1Cl ZINC000409010325 570712223 /nfs/dbraw/zinc/71/22/23/570712223.db2.gz CBXJZIVMDIUUMN-LVCXCXRVSA-N 0 0 359.853 5.363 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cc(C(=O)OC)ccc2C)cc1Cl ZINC000409010327 570712148 /nfs/dbraw/zinc/71/21/48/570712148.db2.gz CBXJZIVMDIUUMN-OFJBCHTGSA-N 0 0 359.853 5.363 40 30 FKEBRN Cc1ccc(-n2cccc2/C=N\c2ccccc2Br)cc1Cl ZINC000409010958 570712167 /nfs/dbraw/zinc/71/21/67/570712167.db2.gz GLSMIUAJCPHSQW-MTJSOVHGSA-N 0 0 373.681 5.952 40 30 FKEBRN COc1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1Cl ZINC000409012325 571111303 /nfs/dbraw/zinc/11/13/03/571111303.db2.gz QNJQIRIOFKRVNT-WSDLNYQXSA-N 0 0 359.256 5.852 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(-c2cccc(F)c2)o1 ZINC000409012412 570712661 /nfs/dbraw/zinc/71/26/61/570712661.db2.gz JVRUTOSOGRLGJJ-NHDPSOOVSA-N 0 0 358.210 5.907 40 30 FKEBRN Clc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1 ZINC000409013029 570712616 /nfs/dbraw/zinc/71/26/16/570712616.db2.gz MAFOSPPSWRXYBA-UDWIEESQSA-N 0 0 359.654 5.644 40 30 FKEBRN Cc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1Cl ZINC000409013326 570712656 /nfs/dbraw/zinc/71/26/56/570712656.db2.gz UKMYLMUEYIZVGL-JJFYIABZSA-N 0 0 363.675 6.497 40 30 FKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(Br)cc2)cc1Cl ZINC000409013685 570713062 /nfs/dbraw/zinc/71/30/62/570713062.db2.gz NHKMDORJEZDKDI-CIAFOILYSA-N 0 0 373.681 5.952 40 30 FKEBRN CCc1ccccc1/N=C/c1cccn1-c1cccc(Br)c1 ZINC000409014900 570713568 /nfs/dbraw/zinc/71/35/68/570713568.db2.gz QFLAPUJVQAEBIE-KGENOOAVSA-N 0 0 353.263 5.553 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)c(C)c1 ZINC000409015302 570713361 /nfs/dbraw/zinc/71/33/61/570713361.db2.gz ZKUCFNHTALDHBE-YDZHTSKRSA-N 0 0 366.848 5.285 40 30 FKEBRN COc1cccc(/C=N\c2ccc(Br)cc2C)c1OC(C)C ZINC000409015886 571111516 /nfs/dbraw/zinc/11/15/16/571111516.db2.gz CEOKLQWWCNNUEJ-JAIQZWGSSA-N 0 0 362.267 5.304 40 30 FKEBRN CC(C)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409016396 570713467 /nfs/dbraw/zinc/71/34/67/570713467.db2.gz SHGPTKGMTKWTPB-HYARGMPZSA-N 0 0 367.290 6.114 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1C ZINC000409016413 571111868 /nfs/dbraw/zinc/11/18/68/571111868.db2.gz SMGJNIIQONBVLJ-CIAFOILYSA-N 0 0 357.931 6.920 40 30 FKEBRN C(=N/c1ccc(-c2cc3ccccc3o2)cc1)\c1ccc(N2CCOCC2)o1 ZINC000409016418 570713553 /nfs/dbraw/zinc/71/35/53/570713553.db2.gz CKQTUQXKCFVROY-LFVJCYFKSA-N 0 0 372.424 5.280 40 30 FKEBRN CCc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409016895 570713429 /nfs/dbraw/zinc/71/34/29/570713429.db2.gz LJERXLGOPZVMMN-FYJGNVAPSA-N 0 0 357.931 6.866 40 30 FKEBRN CC(=O)c1cccc(N=Cc2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409016924 570713480 /nfs/dbraw/zinc/71/34/80/570713480.db2.gz BNNQTOMCNUZGTC-CIAFOILYSA-N 0 0 371.914 6.506 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 ZINC000409017374 570713146 /nfs/dbraw/zinc/71/31/46/570713146.db2.gz WDRJHFPHIMMDQO-HZHRSRAPSA-N 0 0 369.461 5.190 40 30 FKEBRN CCCOc1ccc2ccccc2c1C=NNc1ccc2ccccc2n1 ZINC000409017484 570712939 /nfs/dbraw/zinc/71/29/39/570712939.db2.gz WXKZCFFVFDKJPM-LFVJCYFKSA-N 0 0 355.441 5.623 40 30 FKEBRN COc1cccc(/C=N/c2ccc(Nc3ccccc3)cc2)c1OC(C)C ZINC000409018396 571112123 /nfs/dbraw/zinc/11/21/23/571112123.db2.gz HFQOGBPVUAYPDM-LFVJCYFKSA-N 0 0 360.457 5.977 40 30 FKEBRN Cc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1Cl ZINC000409018620 571112181 /nfs/dbraw/zinc/11/21/81/571112181.db2.gz XITYFIMHJOJSMZ-CIAFOILYSA-N 0 0 373.681 5.952 40 30 FKEBRN O=[N+]([O-])c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409018921 570713882 /nfs/dbraw/zinc/71/38/82/570713882.db2.gz XAQVSDWYTJUFOG-ODLFYWEKSA-N 0 0 374.874 6.212 40 30 FKEBRN CC(C)c1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409018934 570713764 /nfs/dbraw/zinc/71/37/64/570713764.db2.gz XHZZVFBOZIUOHT-LPYMAVHISA-N 0 0 371.958 7.427 40 30 FKEBRN Clc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409019064 570713867 /nfs/dbraw/zinc/71/38/67/570713867.db2.gz OTFGNAZCRXOHSA-JAIQZWGSSA-N 0 0 364.322 6.957 40 30 FKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000409019457 570713895 /nfs/dbraw/zinc/71/38/95/570713895.db2.gz ZDNFMSYONICUNZ-CIAFOILYSA-N 0 0 353.809 5.406 40 30 FKEBRN COc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409019866 570713803 /nfs/dbraw/zinc/71/38/03/570713803.db2.gz ZKMWDAAQTLRLMG-UDWIEESQSA-N 0 0 359.903 6.312 40 30 FKEBRN CC[C@H](C)Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl ZINC000409020567 570713572 /nfs/dbraw/zinc/71/35/72/570713572.db2.gz QQGXYRQHEONYJF-GVHCZZSVSA-N 0 0 356.680 6.575 40 30 FKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2cccc(Cl)c2Cl)cc1Cl ZINC000409020568 571112065 /nfs/dbraw/zinc/11/20/65/571112065.db2.gz QQGXYRQHEONYJF-VARIZKOUSA-N 0 0 356.680 6.575 40 30 FKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2ccc(-c3cccc(F)c3)o2)c1 ZINC000409020789 571112269 /nfs/dbraw/zinc/11/22/69/571112269.db2.gz TYGKPONNGHOXBW-SSDVNMTOSA-N 0 0 357.768 5.276 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409020912 263517992 /nfs/dbraw/zinc/51/79/92/263517992.db2.gz VOUHIUKKYFXEKG-BUVRLJJBSA-N 0 0 365.404 5.793 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(C)c(Cl)c1 ZINC000409021048 570713502 /nfs/dbraw/zinc/71/35/02/570713502.db2.gz XHCRCPLJJRFWHU-WSDLNYQXSA-N 0 0 359.256 5.852 40 30 FKEBRN CN(C)c1ccc(/N=C\c2cccn2-c2cccc(Br)c2)cc1 ZINC000409021237 263517949 /nfs/dbraw/zinc/51/79/49/263517949.db2.gz ZISJXCTWKRUECJ-STZFKDTASA-N 0 0 368.278 5.056 40 30 FKEBRN N#Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409021461 570713525 /nfs/dbraw/zinc/71/35/25/570713525.db2.gz JAPYYUPIGMDZBI-CIAFOILYSA-N 0 0 354.887 6.175 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409022191 571112565 /nfs/dbraw/zinc/11/25/65/571112565.db2.gz IDAMTIHXQUWKHK-UUYOSTAYSA-N 0 0 365.230 5.640 40 30 FKEBRN Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c(F)c1 ZINC000409022203 570713938 /nfs/dbraw/zinc/71/39/38/570713938.db2.gz JBGYKVBSVOGORL-UFFVCSGVSA-N 0 0 365.857 6.582 40 30 FKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 ZINC000409022280 571112572 /nfs/dbraw/zinc/11/25/72/571112572.db2.gz LXNMDJODHDJPON-PCLIKHOPSA-N 0 0 372.424 5.526 40 30 FKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cn1 ZINC000409022304 570713899 /nfs/dbraw/zinc/71/38/99/570713899.db2.gz MQNLJSRXZXROBF-ODLFYWEKSA-N 0 0 360.891 5.707 40 30 FKEBRN Cc1cc(/N=C/c2cccn2-c2ccc(O)cc2)ccc1Br ZINC000409022953 571112554 /nfs/dbraw/zinc/11/25/54/571112554.db2.gz IWMWOWMJMHPOEQ-UDWIEESQSA-N 0 0 355.235 5.004 40 30 FKEBRN Oc1ccc(-n2cccc2/C=N/c2ccc(Nc3ccccc3)cc2)cc1 ZINC000409022969 570713845 /nfs/dbraw/zinc/71/38/45/570713845.db2.gz AERJYUWAYAPXLG-JJIBRWJFSA-N 0 0 353.425 5.677 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccc(O)cc1 ZINC000409023415 570713758 /nfs/dbraw/zinc/71/37/58/570713758.db2.gz MJWHZTSDXJPYAP-NDENLUEZSA-N 0 0 355.235 5.004 40 30 FKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(O)cc2)c(Br)c1 ZINC000409024055 570713927 /nfs/dbraw/zinc/71/39/27/570713927.db2.gz SRXSREUCCJPHDA-NDENLUEZSA-N 0 0 355.235 5.004 40 30 FKEBRN COc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409024478 570714363 /nfs/dbraw/zinc/71/43/63/570714363.db2.gz YTZGALUPSHSRLD-UDWIEESQSA-N 0 0 359.903 6.312 40 30 FKEBRN CCOc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409024944 263517850 /nfs/dbraw/zinc/51/78/50/263517850.db2.gz ZUXIRONRZKAAGV-BKUYFWCQSA-N 0 0 373.930 6.702 40 30 FKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c2n1C ZINC000409030250 570714726 /nfs/dbraw/zinc/71/47/26/570714726.db2.gz DYOCDCSQJAQJEN-PCLIKHOPSA-N 0 0 355.485 5.479 40 30 FKEBRN CCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc21 ZINC000409037682 571122314 /nfs/dbraw/zinc/12/23/14/571122314.db2.gz UHHDMCPCTVGAIK-YZSQISJMSA-N 0 0 369.512 5.962 40 30 FKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc2n1C ZINC000409038843 570715162 /nfs/dbraw/zinc/71/51/62/570715162.db2.gz FTCNYNYHVDAURN-PCLIKHOPSA-N 0 0 355.485 5.479 40 30 FKEBRN Cc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)cc1Cl ZINC000409039652 263519147 /nfs/dbraw/zinc/51/91/47/263519147.db2.gz HFDCUVHAXDXVRD-SRZZPIQSSA-N 0 0 350.809 5.231 40 30 FKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(SC)cc3)nc1-2 ZINC000409040588 570715466 /nfs/dbraw/zinc/71/54/66/570715466.db2.gz GWJRKESWKJXBRK-JAIQZWGSSA-N 0 0 352.484 5.195 40 30 FKEBRN CCn1c(C)c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c21 ZINC000409042181 570715395 /nfs/dbraw/zinc/71/53/95/570715395.db2.gz WQHKHHADRZXUQA-YZSQISJMSA-N 0 0 369.512 5.962 40 30 FKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409044599 571124466 /nfs/dbraw/zinc/12/44/66/571124466.db2.gz WEHGVVJEXPTDPC-VXLYETTFSA-N 0 0 353.205 5.441 40 30 FKEBRN C(=NN=c1[nH]c2ccccc2[nH]1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000409044714 570715905 /nfs/dbraw/zinc/71/59/05/570715905.db2.gz OWDLQFUGXYMPLB-ZVHZXABRSA-N 0 0 365.440 5.012 40 30 FKEBRN CC(C)COc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409045463 570715804 /nfs/dbraw/zinc/71/58/04/570715804.db2.gz YPZGFQQBDJAHTJ-AWQFTUOYSA-N 0 0 367.232 5.687 40 30 FKEBRN CC(C)COc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409046797 570715921 /nfs/dbraw/zinc/71/59/21/570715921.db2.gz MGDBHSRJQPCNMB-AWQFTUOYSA-N 0 0 367.232 5.687 40 30 FKEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409049905 571124450 /nfs/dbraw/zinc/12/44/50/571124450.db2.gz YOJDKCUAAXDRPS-VXLYETTFSA-N 0 0 351.189 5.217 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409049971 570716276 /nfs/dbraw/zinc/71/62/76/570716276.db2.gz ZCSOEZCVCFOBNB-VXLYETTFSA-N 0 0 351.189 5.217 40 30 FKEBRN CSc1ccccc1C(=O)O/N=C(/Cc1ccccc1)c1cccs1 ZINC000409051657 570716890 /nfs/dbraw/zinc/71/68/90/570716890.db2.gz BWKNLULKHVHNDT-FXBPSFAMSA-N 0 0 367.495 5.274 40 30 FKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000409051676 571125060 /nfs/dbraw/zinc/12/50/60/571125060.db2.gz BZMBBLYPMGKUFC-FYJGNVAPSA-N 0 0 366.446 5.117 40 30 FKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000409051815 570716846 /nfs/dbraw/zinc/71/68/46/570716846.db2.gz NESGVPJIRMYUSH-LPYMAVHISA-N 0 0 355.894 5.862 40 30 FKEBRN CC(=CCc1ccccc1)N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000409051831 570716850 /nfs/dbraw/zinc/71/68/50/570716850.db2.gz NHFKFZRWPONZBK-QQQPHYRHSA-N 0 0 364.430 5.220 40 30 FKEBRN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccccc2)c(C)s1 ZINC000409051856 571125083 /nfs/dbraw/zinc/12/50/83/571125083.db2.gz GXMPWMLSLDEHSC-DISHFHGWSA-N 0 0 351.450 5.759 40 30 FKEBRN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000409051920 263519973 /nfs/dbraw/zinc/51/99/73/263519973.db2.gz DHOHUJAJOHHOPG-IFYJTALQSA-N 0 0 371.868 6.104 40 30 FKEBRN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000409051925 571125074 /nfs/dbraw/zinc/12/50/74/571125074.db2.gz DJVFZPPTCFLUTO-KKTPBOSZSA-N 0 0 351.450 5.759 40 30 FKEBRN CC(=CCc1ccccc1)N=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000409052032 571125052 /nfs/dbraw/zinc/12/50/52/571125052.db2.gz HTGVBNBDUZNVFG-NAVQUYGWSA-N 0 0 353.878 5.965 40 30 FKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccncc1 ZINC000409052097 570716868 /nfs/dbraw/zinc/71/68/68/570716868.db2.gz QHXLHVJNWGXHKR-UFFVCSGVSA-N 0 0 363.273 5.348 40 30 FKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1Cl ZINC000409052241 570716730 /nfs/dbraw/zinc/71/67/30/570716730.db2.gz QUHBVSZCMXIACS-FXBPSFAMSA-N 0 0 355.846 5.205 40 30 FKEBRN CC(=CCc1ccccc1)N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000409052562 571125045 /nfs/dbraw/zinc/12/50/45/571125045.db2.gz KIBMTWFQAPXLAI-DBVLCOFHSA-N 0 0 364.430 5.220 40 30 FKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc(Cl)c1 ZINC000409052653 263519881 /nfs/dbraw/zinc/51/98/81/263519881.db2.gz JAIUOTKHPUUJIJ-FXBPSFAMSA-N 0 0 355.846 5.205 40 30 FKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)o1 ZINC000409053161 570715951 /nfs/dbraw/zinc/71/59/51/570715951.db2.gz LQEDQORDXBCAEH-KEBDBYFISA-N 0 0 366.273 5.854 40 30 FKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000409053349 571125075 /nfs/dbraw/zinc/12/50/75/571125075.db2.gz JAEOQJKTUGZFCH-ATVHPVEESA-N 0 0 371.845 5.146 40 30 FKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000409053489 570716294 /nfs/dbraw/zinc/71/62/94/570716294.db2.gz YVDMJQDYQXKKTR-XQNSMLJCSA-N 0 0 363.486 5.519 40 30 FKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccc(Cl)cc1 ZINC000409053711 570717698 /nfs/dbraw/zinc/71/76/98/570717698.db2.gz OOIYZJSWMSAHMX-FXBPSFAMSA-N 0 0 355.846 5.205 40 30 FKEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1 ZINC000409053894 571125053 /nfs/dbraw/zinc/12/50/53/571125053.db2.gz RSKSJRBIERPBNX-RGVLZGJSSA-N 0 0 372.837 5.208 40 30 FKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1cccc2ccccc21 ZINC000409053961 571125038 /nfs/dbraw/zinc/12/50/38/571125038.db2.gz FBXQHOQMPSCVRH-FLFQWRMESA-N 0 0 371.461 5.705 40 30 FKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000409054613 263521521 /nfs/dbraw/zinc/52/15/21/263521521.db2.gz UHEVMNAWOKAQAV-HZHRSRAPSA-N 0 0 363.486 5.519 40 30 FKEBRN Cc1ccc(-c2csc(N=NCc3ccccc3C(F)(F)F)n2)cc1 ZINC000409055628 571125328 /nfs/dbraw/zinc/12/53/28/571125328.db2.gz ZXEPZDQTUICOOC-LSHDLFTRSA-N 0 0 361.392 5.583 40 30 FKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccnc1 ZINC000409060193 570717303 /nfs/dbraw/zinc/71/73/03/570717303.db2.gz YGFGYWNFPAOWEL-UFFVCSGVSA-N 0 0 363.273 5.348 40 30 FKEBRN O=C(C=CNc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000409060538 570717619 /nfs/dbraw/zinc/71/76/19/570717619.db2.gz UIVKCEXHROCMEL-AATRIKPKSA-N 0 0 361.055 6.109 40 30 FKEBRN Cc1csc(N=NCc2c(OCc3ccccc3)ccc3ccccc32)n1 ZINC000409060724 570717662 /nfs/dbraw/zinc/71/76/62/570717662.db2.gz UKRKXJQROWNIDL-YDZHTSKRSA-N 0 0 373.481 5.630 40 30 FKEBRN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000409062387 263521513 /nfs/dbraw/zinc/52/15/13/263521513.db2.gz SVGDFFFWCQCHDU-VOTSOKGWSA-N 0 0 356.636 5.464 40 30 FKEBRN CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000409062847 571125350 /nfs/dbraw/zinc/12/53/50/571125350.db2.gz BRQXQWVALXAHMF-MFKUBSTISA-N 0 0 374.509 6.191 40 30 FKEBRN COc1ccc(-n2c(C)cc(C=NNc3ccccc3)c2C)cc1Cl ZINC000409063131 571125336 /nfs/dbraw/zinc/12/53/36/571125336.db2.gz HOWGZFXYDSSMSR-LPYMAVHISA-N 0 0 353.853 5.202 40 30 FKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(C)c1 ZINC000409064194 571125638 /nfs/dbraw/zinc/12/56/38/571125638.db2.gz OHPIGUBIOWZDAS-QFEZKATASA-N 0 0 373.525 5.965 40 30 FKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000409064241 571125725 /nfs/dbraw/zinc/12/57/25/571125725.db2.gz OOYXXUMSOSFVNR-FYJGNVAPSA-N 0 0 368.278 5.303 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409064628 570718071 /nfs/dbraw/zinc/71/80/71/570718071.db2.gz IGPSWYXDXPLCNO-YDZHTSKRSA-N 0 0 372.320 7.204 40 30 FKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cn1 ZINC000409064701 571125669 /nfs/dbraw/zinc/12/56/69/571125669.db2.gz FISINBZRLUCMFD-MTJSOVHGSA-N 0 0 354.862 5.645 40 30 FKEBRN FC(F)(F)c1ccc(N=NCc2ccc(Sc3ccccc3)cc2)nc1 ZINC000409065059 570717993 /nfs/dbraw/zinc/71/79/93/570717993.db2.gz GYDNKKVHMOVHOW-WYMPLXKRSA-N 0 0 373.403 5.698 40 30 FKEBRN C=CCOc1c(CC=C)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000409065404 570718342 /nfs/dbraw/zinc/71/83/42/570718342.db2.gz LLQFNADEDLJNPL-PXLXIMEGSA-N 0 0 366.417 5.037 40 30 FKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccc4c(c3)OCO4)cc2)cc1 ZINC000409065586 571125676 /nfs/dbraw/zinc/12/56/76/571125676.db2.gz HUDKTGJPSLBCBI-UUYOSTAYSA-N 0 0 367.857 5.971 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1Cl ZINC000409066823 570718619 /nfs/dbraw/zinc/71/86/19/570718619.db2.gz OBWLEIJYLKSUMM-QRVIBDJDSA-N 0 0 372.320 7.204 40 30 FKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc(C)c1 ZINC000409067272 571127978 /nfs/dbraw/zinc/12/79/78/571127978.db2.gz XHCQTBUMRHWWGV-LPYMAVHISA-N 0 0 360.486 5.458 40 30 FKEBRN C/N=C1\S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1C ZINC000409067303 571128042 /nfs/dbraw/zinc/12/80/42/571128042.db2.gz OVGDBRPLFOJPOB-JTHVCAJSSA-N 0 0 374.918 5.023 40 30 FKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1C ZINC000409067468 571128660 /nfs/dbraw/zinc/12/86/60/571128660.db2.gz YFWPDSLPKKWOIN-QFEZKATASA-N 0 0 373.525 5.965 40 30 FKEBRN C=CCN1C(=O)S/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O ZINC000409068096 571129435 /nfs/dbraw/zinc/12/94/35/571129435.db2.gz FRKPYIGRHYQSAM-GHRIWEEISA-N 0 0 353.468 5.060 40 30 FKEBRN Fc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1N1CCCC1 ZINC000409068124 571129645 /nfs/dbraw/zinc/12/96/45/571129645.db2.gz HIXBXSKZIZYRID-KOEQRZSOSA-N 0 0 360.432 5.969 40 30 FKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409068732 570718392 /nfs/dbraw/zinc/71/83/92/570718392.db2.gz BSRIIRWLKNWKOG-XIEYBQDHSA-N 0 0 371.484 5.326 40 30 FKEBRN COc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409068850 570718335 /nfs/dbraw/zinc/71/83/35/570718335.db2.gz JKBOUNZEYRSJTM-HYARGMPZSA-N 0 0 353.874 6.250 40 30 FKEBRN Cc1ccccc1Oc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409069316 570719085 /nfs/dbraw/zinc/71/90/85/570719085.db2.gz XFPMDKRVOWBGOK-YZSQISJMSA-N 0 0 374.459 6.277 40 30 FKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409069931 570719547 /nfs/dbraw/zinc/71/95/47/570719547.db2.gz BQDCSPLJZZRPAR-HMAPJEAMSA-N 0 0 353.874 6.250 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)c(F)c1 ZINC000409070210 571129952 /nfs/dbraw/zinc/12/99/52/571129952.db2.gz NLQFVKABZATSBM-MTJSOVHGSA-N 0 0 361.258 5.247 40 30 FKEBRN Cc1ccc(NN=Cc2ccc(OCc3c(F)cccc3Cl)cc2)cc1 ZINC000409070387 571130077 /nfs/dbraw/zinc/13/00/77/571130077.db2.gz FZIYEFINFVGSQJ-ZMOGYAJESA-N 0 0 368.839 5.813 40 30 FKEBRN Oc1cc(Cl)ccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409071194 570719527 /nfs/dbraw/zinc/71/95/27/570719527.db2.gz FSRXSZCCWXMQFQ-UUYOSTAYSA-N 0 0 374.292 6.601 40 30 FKEBRN Fc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1N1CCCC1 ZINC000409071262 571129909 /nfs/dbraw/zinc/12/99/09/571129909.db2.gz GHGUPAJXJIKCLW-KOEQRZSOSA-N 0 0 359.448 5.920 40 30 FKEBRN CC[C@@H](C)n1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409071311 570719361 /nfs/dbraw/zinc/71/93/61/570719361.db2.gz JFVZAHXBIFOZKO-OKYTWDAHSA-N 0 0 360.383 5.472 40 30 FKEBRN CC[C@H](C)n1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409071319 570719270 /nfs/dbraw/zinc/71/92/70/570719270.db2.gz JFVZAHXBIFOZKO-VRVUXBDFSA-N 0 0 360.383 5.472 40 30 FKEBRN C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409071828 570719487 /nfs/dbraw/zinc/71/94/87/570719487.db2.gz SIQMXJAAXKUHEH-UFFVCSGVSA-N 0 0 366.244 5.118 40 30 FKEBRN CC(=O)c1ccc(N=Cc2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409071887 570719301 /nfs/dbraw/zinc/71/93/01/570719301.db2.gz QJWOHCKHVHOOKQ-OEAKJJBVSA-N 0 0 365.885 6.444 40 30 FKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409072735 571130348 /nfs/dbraw/zinc/13/03/48/571130348.db2.gz DCTYNBXBOQYRMX-LPYMAVHISA-N 0 0 366.804 6.100 40 30 FKEBRN COc1cc2c(cc1/C=N\c1ccc(Oc3ccc(C)cc3)cc1)OCO2 ZINC000409073222 571130213 /nfs/dbraw/zinc/13/02/13/571130213.db2.gz GAGSBNYLQWBCJK-QRVIBDJDSA-N 0 0 361.397 5.275 40 30 FKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3cccc(Cl)c3)o2)nc1 ZINC000409073583 571130296 /nfs/dbraw/zinc/13/02/96/571130296.db2.gz QLBOYFQLEYTDBA-AUEPDCJTSA-N 0 0 365.742 5.460 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 ZINC000409074082 570719699 /nfs/dbraw/zinc/71/96/99/570719699.db2.gz KBVZYQZFKYBYIG-IUXPMGMMSA-N 0 0 353.603 5.070 40 30 FKEBRN CSc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409074127 571130398 /nfs/dbraw/zinc/13/03/98/571130398.db2.gz RZYBAWLJWGKVBU-HYARGMPZSA-N 0 0 369.942 6.964 40 30 FKEBRN C=CCc1cc(/C=N/O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409074290 570719713 /nfs/dbraw/zinc/71/97/13/570719713.db2.gz YYWCZGYJQFGPPX-BUVRLJJBSA-N 0 0 361.441 5.354 40 30 FKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCCC4)c(F)c3)cc2)cc1 ZINC000409074333 570719949 /nfs/dbraw/zinc/71/99/49/570719949.db2.gz TWXYLBHHVLKPPU-YZSQISJMSA-N 0 0 374.459 6.277 40 30 FKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCCC ZINC000409074517 571130394 /nfs/dbraw/zinc/13/03/94/571130394.db2.gz MMWAVHFGRHRJPM-PXLXIMEGSA-N 0 0 368.433 5.261 40 30 FKEBRN CCCCOC(=O)c1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1 ZINC000409074622 571130269 /nfs/dbraw/zinc/13/02/69/571130269.db2.gz WAQMZOJJNVDRHT-XQNSMLJCSA-N 0 0 362.429 5.350 40 30 FKEBRN O=[N+]([O-])c1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409074758 570718874 /nfs/dbraw/zinc/71/88/74/570718874.db2.gz RHPHPXNNSJQDKJ-BKUYFWCQSA-N 0 0 368.845 6.150 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1C ZINC000409075617 570719107 /nfs/dbraw/zinc/71/91/07/570719107.db2.gz ZEMGEOXHFSJVNH-OEAKJJBVSA-N 0 0 351.902 6.859 40 30 FKEBRN O=[N+]([O-])c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409075938 570719123 /nfs/dbraw/zinc/71/91/23/570719123.db2.gz VYSDTPOFDHTLJG-BKUYFWCQSA-N 0 0 368.845 6.150 40 30 FKEBRN CN(C)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409075976 570718995 /nfs/dbraw/zinc/71/89/95/570718995.db2.gz ZVIKUTXKQXKJBE-HAHDFKILSA-N 0 0 366.917 6.308 40 30 FKEBRN CCc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409075980 570718881 /nfs/dbraw/zinc/71/88/81/570718881.db2.gz ZWDWYADOJBHMIK-HZHRSRAPSA-N 0 0 351.902 6.804 40 30 FKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccc4ccccc4c3)cc2)cc1 ZINC000409076158 571130316 /nfs/dbraw/zinc/13/03/16/571130316.db2.gz YUYQEFRNESNLQQ-XYGWBWBKSA-N 0 0 373.908 7.395 40 30 FKEBRN C(=NN=c1[nH]c2ccccc2s1)c1ccc(Sc2ccccc2)o1 ZINC000409076265 263523209 /nfs/dbraw/zinc/52/32/09/263523209.db2.gz AEELCRJQRXKTGY-UNOMPAQXSA-N 0 0 351.456 5.487 40 30 FKEBRN CCc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409076700 571131013 /nfs/dbraw/zinc/13/10/13/571131013.db2.gz BVLBSWBELFBIGJ-WGOQTCKBSA-N 0 0 359.513 6.173 40 30 FKEBRN CC(C)CN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409076968 263523048 /nfs/dbraw/zinc/52/30/48/263523048.db2.gz CTQZTOJQKSMUIQ-CFDZAGTRSA-N 0 0 370.905 5.600 40 30 FKEBRN CSc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409077470 570719119 /nfs/dbraw/zinc/71/91/19/570719119.db2.gz FLOMAGNMVSTBAN-LJGKHRNASA-N 0 0 368.571 6.243 40 30 FKEBRN CSc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409077471 571131023 /nfs/dbraw/zinc/13/10/23/571131023.db2.gz FLOMAGNMVSTBAN-LUILSVGHSA-N 0 0 368.571 6.243 40 30 FKEBRN CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409077558 263523072 /nfs/dbraw/zinc/52/30/72/263523072.db2.gz GASWOPNRARFDAA-GCMSVZMUSA-N 0 0 366.530 5.920 40 30 FKEBRN CCOc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409077561 263522920 /nfs/dbraw/zinc/52/29/20/263522920.db2.gz GASWOPNRARFDAA-HUSFYUSLSA-N 0 0 366.530 5.920 40 30 FKEBRN COc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409077648 571130663 /nfs/dbraw/zinc/13/06/63/571130663.db2.gz GHIQTJMPVULGEY-MFKUBSTISA-N 0 0 361.485 5.619 40 30 FKEBRN Cc1oc(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C#N)c1C ZINC000409077928 570719419 /nfs/dbraw/zinc/71/94/19/570719419.db2.gz GIEHRYBCOYRJNV-ZVBGSRNCSA-N 0 0 369.764 5.340 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000409078171 570720631 /nfs/dbraw/zinc/72/06/31/570720631.db2.gz HWRGFRXYMQNIJV-ANDSAHIGSA-N 0 0 366.530 5.838 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000409078174 570720674 /nfs/dbraw/zinc/72/06/74/570720674.db2.gz HWRGFRXYMQNIJV-CBFMJHRQSA-N 0 0 366.530 5.838 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccc(C)o2)S/C1=N/c1ccc(Cl)cc1 ZINC000409078392 263522474 /nfs/dbraw/zinc/52/24/74/263522474.db2.gz CFFMWJAESYTTBK-FMIVOPDJSA-N 0 0 360.866 5.255 40 30 FKEBRN CC(C)c1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409078979 571131633 /nfs/dbraw/zinc/13/16/33/571131633.db2.gz JWDMRFLDDGQSTC-JVWAILMASA-N 0 0 373.540 6.734 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccccc34)sc2C1 ZINC000409079040 571132024 /nfs/dbraw/zinc/13/20/24/571132024.db2.gz KITJULZJDCPICV-SQAVSUBZSA-N 0 0 361.514 6.003 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccccc34)sc2C1 ZINC000409079042 571131937 /nfs/dbraw/zinc/13/19/37/571131937.db2.gz KITJULZJDCPICV-VSRRSJTHSA-N 0 0 361.514 6.003 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3Cl)sc2C1 ZINC000409079063 571131971 /nfs/dbraw/zinc/13/19/71/571131971.db2.gz JYKSYBPHTCZODK-CHOFVFFHSA-N 0 0 356.922 6.175 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3Cl)sc2C1 ZINC000409079064 263522667 /nfs/dbraw/zinc/52/26/67/263522667.db2.gz JYKSYBPHTCZODK-XMTZNVEYSA-N 0 0 356.922 6.175 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409079167 263522946 /nfs/dbraw/zinc/52/29/46/263522946.db2.gz KWJSOKQWXNYHAK-UKUDRTMLSA-N 0 0 374.868 5.493 40 30 FKEBRN CCc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409079173 571131934 /nfs/dbraw/zinc/13/19/34/571131934.db2.gz KXIXNJHIRVYTHW-WGOQTCKBSA-N 0 0 359.513 6.173 40 30 FKEBRN CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409079301 570720740 /nfs/dbraw/zinc/72/07/40/570720740.db2.gz JFQPMIITTFUEEL-MJDKSPQASA-N 0 0 364.558 6.645 40 30 FKEBRN CC(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409079304 571131978 /nfs/dbraw/zinc/13/19/78/571131978.db2.gz JFQPMIITTFUEEL-VBYICHLGSA-N 0 0 364.558 6.645 40 30 FKEBRN N#Cc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409079563 571133012 /nfs/dbraw/zinc/13/30/12/571133012.db2.gz KYZYOTZBYDLPKW-CVKSISIWSA-N 0 0 356.469 5.482 40 30 FKEBRN COc1cccc(C=NNc2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000409079901 571132991 /nfs/dbraw/zinc/13/29/91/571132991.db2.gz GVJJNTVKJCKBJU-UCQKPKSFSA-N 0 0 366.848 5.374 40 30 FKEBRN COc1cccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409080183 571133228 /nfs/dbraw/zinc/13/32/28/571133228.db2.gz MKUBDUOKFUYPFP-MFKUBSTISA-N 0 0 361.485 5.619 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409080487 571133236 /nfs/dbraw/zinc/13/32/36/571133236.db2.gz ICZWYDVSFGMNHD-HATACVMWSA-N 0 0 372.877 5.060 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409080630 570719924 /nfs/dbraw/zinc/71/99/24/570719924.db2.gz IUIOUFBCLWSEEM-LVCXCXRVSA-N 0 0 367.474 5.430 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409080633 571132343 /nfs/dbraw/zinc/13/23/43/571132343.db2.gz IUIOUFBCLWSEEM-OFJBCHTGSA-N 0 0 367.474 5.430 40 30 FKEBRN CC(C)CN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 ZINC000409081027 263523039 /nfs/dbraw/zinc/52/30/39/263523039.db2.gz PCHYXFGFBIODBC-NIQTYAIASA-N 0 0 360.866 5.193 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409081067 571132606 /nfs/dbraw/zinc/13/26/06/571132606.db2.gz JNBKNFFAFLKNPA-YISMEOAQSA-N 0 0 370.905 5.662 40 30 FKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccc(Cl)cc1 ZINC000409081070 570719978 /nfs/dbraw/zinc/71/99/78/570719978.db2.gz GDBDJOIAQQVDOF-QFEZKATASA-N 0 0 365.904 6.264 40 30 FKEBRN CCCN1C(=O)/C(=C/C=C/c2ccco2)S/C1=N/c1ccc(Cl)cc1 ZINC000409081536 571133380 /nfs/dbraw/zinc/13/33/80/571133380.db2.gz PVZRVDBYDSVCNE-UGAKATRNSA-N 0 0 372.877 5.503 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccccc2O)S/C1=N/c1ccc(Cl)cc1 ZINC000409082137 263522536 /nfs/dbraw/zinc/52/25/36/263522536.db2.gz RSCSWXOOKWSMOY-HATACVMWSA-N 0 0 372.877 5.060 40 30 FKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1C ZINC000409082272 570720373 /nfs/dbraw/zinc/72/03/73/570720373.db2.gz ISJHWCFWKNAEGP-PDYUXYPTSA-N 0 0 353.535 5.477 40 30 FKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1C ZINC000409082274 570720259 /nfs/dbraw/zinc/72/02/59/570720259.db2.gz ISJHWCFWKNAEGP-PLVXZXGYSA-N 0 0 353.535 5.477 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409082907 570720367 /nfs/dbraw/zinc/72/03/67/570720367.db2.gz UDHUOFHLGQLJGY-LJGKHRNASA-N 0 0 352.503 5.530 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409082910 570720360 /nfs/dbraw/zinc/72/03/60/570720360.db2.gz UDHUOFHLGQLJGY-LUILSVGHSA-N 0 0 352.503 5.530 40 30 FKEBRN CC(=O)c1ccc(N=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409082926 571133327 /nfs/dbraw/zinc/13/33/27/571133327.db2.gz RKYKYVVUKJXIGN-CVKSISIWSA-N 0 0 373.496 5.813 40 30 FKEBRN Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1C ZINC000409083331 570720317 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CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cccc4ccccc34)sc2C1 ZINC000409087983 570721705 /nfs/dbraw/zinc/72/17/05/570721705.db2.gz VLPIFZOGPDYWMY-CMPFEXHJSA-N 0 0 372.537 6.675 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccc4ccccc34)sc2C1 ZINC000409087986 571133720 /nfs/dbraw/zinc/13/37/20/571133720.db2.gz VLPIFZOGPDYWMY-GTPWMTBTSA-N 0 0 372.537 6.675 40 30 FKEBRN FC(F)(F)c1ccc(N=NCc2ccccc2Sc2ccccc2)nc1 ZINC000409088391 571133723 /nfs/dbraw/zinc/13/37/23/571133723.db2.gz LKKLEONIVXWVDN-MSXFZWOLSA-N 0 0 373.403 5.698 40 30 FKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409088490 571133635 /nfs/dbraw/zinc/13/36/35/571133635.db2.gz FSBZXKMZLLIWBS-GCMSVZMUSA-N 0 0 366.530 5.920 40 30 FKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409088497 263523699 /nfs/dbraw/zinc/52/36/99/263523699.db2.gz FSBZXKMZLLIWBS-HUSFYUSLSA-N 0 0 366.530 5.920 40 30 FKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C ZINC000409088598 571133629 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372.921 5.880 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc(Cl)ccc3O)sc2C1 ZINC000409090147 570722175 /nfs/dbraw/zinc/72/21/75/570722175.db2.gz LNTJIMDTQNFCJG-HKNSOBRKSA-N 0 0 372.921 5.880 40 30 FKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1Cl ZINC000409090231 571133609 /nfs/dbraw/zinc/13/36/09/571133609.db2.gz LLIWWDCMLVBSFF-QFEZKATASA-N 0 0 365.904 6.264 40 30 FKEBRN CN(C)c1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409090513 570722127 /nfs/dbraw/zinc/72/21/27/570722127.db2.gz PTXJMZSDVCZRPY-QQXSKIMKSA-N 0 0 374.528 5.677 40 30 FKEBRN N#Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409090545 571133698 /nfs/dbraw/zinc/13/36/98/571133698.db2.gz NUAVSUBDUFASCP-CVKSISIWSA-N 0 0 356.469 5.482 40 30 FKEBRN CCc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000409090551 570721911 /nfs/dbraw/zinc/72/19/11/570721911.db2.gz RDGHUJWBCBOEGA-IBTMRHFJSA-N 0 0 355.441 6.473 40 30 FKEBRN Cc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)o1 ZINC000409090590 570722062 /nfs/dbraw/zinc/72/20/62/570722062.db2.gz MFLGZWMPFOJNCI-PZDISWOBSA-N 0 0 374.893 5.501 40 30 FKEBRN N#Cc1c2c(sc1/N=C/c1ccc(Sc3ccccc3)o1)CCCC2 ZINC000409090830 570721892 /nfs/dbraw/zinc/72/18/92/570721892.db2.gz QNPVZCWLMDJGBP-LPYMAVHISA-N 0 0 364.495 5.993 40 30 FKEBRN CCCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409091142 571133727 /nfs/dbraw/zinc/13/37/27/571133727.db2.gz PRFCUZBAIDDUOV-WMUNDEBQSA-N 0 0 356.878 5.354 40 30 FKEBRN Cc1cc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1F ZINC000409091386 570722068 /nfs/dbraw/zinc/72/20/68/570722068.db2.gz QCLZGUKWEDWXCC-VULFUBBASA-N 0 0 363.476 6.058 40 30 FKEBRN Cc1oc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C#N)c1C ZINC000409091477 263525428 /nfs/dbraw/zinc/52/54/28/263525428.db2.gz QTQSHZUOPHZXIZ-WYMPLXKRSA-N 0 0 364.832 5.751 40 30 FKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C ZINC000409091903 571133607 /nfs/dbraw/zinc/13/36/07/571133607.db2.gz SYKFTXNFPXGWQD-LSFURLLWSA-N 0 0 359.212 6.086 40 30 FKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1C ZINC000409092360 570720662 /nfs/dbraw/zinc/72/06/62/570720662.db2.gz UZHQLAIMWHJMOJ-ANDSAHIGSA-N 0 0 366.530 5.838 40 30 FKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1C ZINC000409092361 571133623 /nfs/dbraw/zinc/13/36/23/571133623.db2.gz UZHQLAIMWHJMOJ-CBFMJHRQSA-N 0 0 366.530 5.838 40 30 FKEBRN COc1ccc(Oc2ccc(NC(C)=CC(=O)c3ccccc3)cc2)cc1 ZINC000409092406 570720726 /nfs/dbraw/zinc/72/07/26/570720726.db2.gz XKZOKAYJXZDSSE-WUKNDPDISA-N 0 0 359.425 5.686 40 30 FKEBRN COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409092629 263525718 /nfs/dbraw/zinc/52/57/18/263525718.db2.gz XKEYLLWRQQPELT-LJGKHRNASA-N 0 0 352.503 5.530 40 30 FKEBRN COc1ccccc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409092630 571133594 /nfs/dbraw/zinc/13/35/94/571133594.db2.gz XKEYLLWRQQPELT-LUILSVGHSA-N 0 0 352.503 5.530 40 30 FKEBRN Cc1ccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c(C)c1 ZINC000409092714 570720766 /nfs/dbraw/zinc/72/07/66/570720766.db2.gz VXZRLKPOMZOXBM-YSMPRRRNSA-N 0 0 359.513 6.227 40 30 FKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(Cl)c1 ZINC000409092743 571133596 /nfs/dbraw/zinc/13/35/96/571133596.db2.gz WDTJCQRIUVSGPA-AFUMVMLFSA-N 0 0 365.904 6.264 40 30 FKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000409093128 571133940 /nfs/dbraw/zinc/13/39/40/571133940.db2.gz XVUQKJMLODOGMC-LJGKHRNASA-N 0 0 352.503 5.530 40 30 FKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000409093129 571134022 /nfs/dbraw/zinc/13/40/22/571134022.db2.gz XVUQKJMLODOGMC-LUILSVGHSA-N 0 0 352.503 5.530 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1O ZINC000409093303 263525564 /nfs/dbraw/zinc/52/55/64/263525564.db2.gz ZWTYWUHVSNVSQJ-CHOFVFFHSA-N 0 0 368.502 5.236 40 30 FKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1O ZINC000409093304 263525267 /nfs/dbraw/zinc/52/52/67/263525267.db2.gz ZWTYWUHVSNVSQJ-XMTZNVEYSA-N 0 0 368.502 5.236 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Br)c(C)c1 ZINC000409093581 571134040 /nfs/dbraw/zinc/13/40/40/571134040.db2.gz AMOKRWKFNHFUJU-VXLYETTFSA-N 0 0 352.659 5.560 40 30 FKEBRN CC(=O)c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)cc1 ZINC000409093862 570721089 /nfs/dbraw/zinc/72/10/89/570721089.db2.gz BCJBXZFKIWSRBP-BHGWPJFGSA-N 0 0 373.334 5.009 40 30 FKEBRN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCOCC2)cc1 ZINC000409093875 571133936 /nfs/dbraw/zinc/13/39/36/571133936.db2.gz BGVGKPPONNGUKW-HKOYGPOVSA-N 0 0 357.457 5.017 40 30 FKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3ccc(Cl)cc3)o2)nc1 ZINC000409094566 571133992 /nfs/dbraw/zinc/13/39/92/571133992.db2.gz FUNGAYKRJUQITN-AUEPDCJTSA-N 0 0 365.742 5.460 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 ZINC000409094649 571133648 /nfs/dbraw/zinc/13/36/48/571133648.db2.gz FIMYVFONSSJNGU-JJIBRWJFSA-N 0 0 366.505 5.397 40 30 FKEBRN CCOc1ccc2ccccc2c1CN=Nc1ccc(C(F)(F)F)cn1 ZINC000409094831 570721189 /nfs/dbraw/zinc/72/11/89/570721189.db2.gz GHTBNPYSYWNPQV-WYMPLXKRSA-N 0 0 359.351 5.098 40 30 FKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 ZINC000409094871 570721214 /nfs/dbraw/zinc/72/12/14/570721214.db2.gz GLGOTLLQGYGBBF-UHFFFAOYSA-N 0 0 355.894 5.483 40 30 FKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000409095061 570721080 /nfs/dbraw/zinc/72/10/80/570721080.db2.gz HBTCXXLAWQDEPB-CCEZHUSRSA-N 0 0 363.388 5.435 40 30 FKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1Cc1ccccc1 ZINC000409095445 263525252 /nfs/dbraw/zinc/52/52/52/263525252.db2.gz HOIHXSKXZAHPLR-OPEKNORGSA-N 0 0 372.394 5.013 40 30 FKEBRN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000409095481 263525836 /nfs/dbraw/zinc/52/58/36/263525836.db2.gz HPNIBZXCSXCILV-IUXPMGMMSA-N 0 0 353.603 5.070 40 30 FKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 ZINC000409095741 570723056 /nfs/dbraw/zinc/72/30/56/570723056.db2.gz IPAPHHNLADHXEX-PCLIKHOPSA-N 0 0 369.420 6.097 40 30 FKEBRN C=CCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409095770 570723036 /nfs/dbraw/zinc/72/30/36/570723036.db2.gz IUNZALUSMMZRFU-FOWTUZBSSA-N 0 0 373.518 5.210 40 30 FKEBRN COc1ccccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409095813 570723089 /nfs/dbraw/zinc/72/30/89/570723089.db2.gz IJSWWHAGZGHTAJ-HYARGMPZSA-N 0 0 353.874 6.250 40 30 FKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(CC)c2C)SC1=Nc1ccccc1 ZINC000409095999 570722921 /nfs/dbraw/zinc/72/29/21/570722921.db2.gz FDFAJBOSNXMUEQ-IMQDXXIXSA-N 0 0 367.518 5.139 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000409096072 570723127 /nfs/dbraw/zinc/72/31/27/570723127.db2.gz JFKIMHWTIFJTGC-DJKKODMXSA-N 0 0 373.077 5.905 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409096110 263525258 /nfs/dbraw/zinc/52/52/58/263525258.db2.gz JTYGDZIPZXMJLG-HZHRSRAPSA-N 0 0 351.833 6.282 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc(Cl)c1C ZINC000409096111 571133978 /nfs/dbraw/zinc/13/39/78/571133978.db2.gz JUDKRLCKOIJMCG-LPYMAVHISA-N 0 0 358.869 5.016 40 30 FKEBRN Cc1ccc(C)c(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409096265 571133973 /nfs/dbraw/zinc/13/39/73/571133973.db2.gz DBXHOIWUPBNVMW-UCQKPKSFSA-N 0 0 351.902 6.859 40 30 FKEBRN COc1ccccc1Oc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000409096604 571133922 /nfs/dbraw/zinc/13/39/22/571133922.db2.gz DRLGWYHVHBBUJN-PCLIKHOPSA-N 0 0 369.420 6.097 40 30 FKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Nc3ccccc3)cc1)OCO2 ZINC000409096752 571133975 /nfs/dbraw/zinc/13/39/75/571133975.db2.gz GOFFDOPNWQUTNJ-UCQKPKSFSA-N 0 0 360.413 5.308 40 30 FKEBRN CCn1c(C)cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000409096812 570723048 /nfs/dbraw/zinc/72/30/48/570723048.db2.gz KRZXFLVPWACODD-WGOQTCKBSA-N 0 0 360.545 6.343 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc(C(C)(C)C)cc1 ZINC000409096868 571133933 /nfs/dbraw/zinc/13/39/33/571133933.db2.gz MINQAFNYNCVVAF-JLPGSUDCSA-N 0 0 366.505 5.352 40 30 FKEBRN CCc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000409097084 571133959 /nfs/dbraw/zinc/13/39/59/571133959.db2.gz MYARXDIERKPKBS-WUKNDPDISA-N 0 0 373.452 5.858 40 30 FKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409097137 570722975 /nfs/dbraw/zinc/72/29/75/570722975.db2.gz FWWKRNASSTUKAS-YDZHTSKRSA-N 0 0 372.320 7.204 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(C)cc1Br ZINC000409097245 570722934 /nfs/dbraw/zinc/72/29/34/570722934.db2.gz LWTYZNQXCBDUPJ-GRSHGNNSSA-N 0 0 352.659 5.560 40 30 FKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C(C)C ZINC000409097769 571133982 /nfs/dbraw/zinc/13/39/82/571133982.db2.gz OLIOGVZIZQUKPO-ZVBGSRNCSA-N 0 0 368.359 5.059 40 30 FKEBRN FC(F)(F)c1ccc(N=NCc2ccc(Sc3ccccc3)o2)nc1 ZINC000409097949 570723541 /nfs/dbraw/zinc/72/35/41/570723541.db2.gz OAVGQWHRWVVXII-SSDVNMTOSA-N 0 0 363.364 5.291 40 30 FKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccc(C)cc3)cc2)c1 ZINC000409098217 571134043 /nfs/dbraw/zinc/13/40/43/571134043.db2.gz OSKQCWGDUHXFIY-CCEZHUSRSA-N 0 0 359.425 5.604 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409098277 571133944 /nfs/dbraw/zinc/13/39/44/571133944.db2.gz PFTJXIFNSMQZBL-LPYMAVHISA-N 0 0 358.869 5.016 40 30 FKEBRN Cc1ccccc1Oc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409098410 570723427 /nfs/dbraw/zinc/72/34/27/570723427.db2.gz PVGXQBQYZFLACR-LPYMAVHISA-N 0 0 366.804 6.100 40 30 FKEBRN CCOc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1C(C)C ZINC000409098768 571134231 /nfs/dbraw/zinc/13/42/31/571134231.db2.gz JUJNBKJIMZLQFQ-YSURURNPSA-N 0 0 365.399 5.377 40 30 FKEBRN COc1cccc(Oc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)c1 ZINC000409098783 571134208 /nfs/dbraw/zinc/13/42/08/571134208.db2.gz PJHGGQAMDONOCX-PCLIKHOPSA-N 0 0 369.420 6.097 40 30 FKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 ZINC000409098793 570723577 /nfs/dbraw/zinc/72/35/77/570723577.db2.gz POARBURKTSHZBS-UHFFFAOYSA-N 0 0 371.893 5.265 40 30 FKEBRN CC(C)c1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409098822 571134216 /nfs/dbraw/zinc/13/42/16/571134216.db2.gz MDKCTNNPBRSGRJ-BUVRLJJBSA-N 0 0 365.929 7.365 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Nc2ccccc2)cc1 ZINC000409099146 570723587 /nfs/dbraw/zinc/72/35/87/570723587.db2.gz QPMXSPOMYKXAMG-HZHRSRAPSA-N 0 0 350.849 6.233 40 30 FKEBRN Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c(F)c1 ZINC000409099495 571134253 /nfs/dbraw/zinc/13/42/53/571134253.db2.gz TUHOZRLOQODOBY-FSJBWODESA-N 0 0 359.828 6.520 40 30 FKEBRN COc1cccc(Oc2ccc(NC(C)=CC(=O)c3ccccc3)cc2)c1 ZINC000409099651 571134332 /nfs/dbraw/zinc/13/43/32/571134332.db2.gz SNSRQZBHEFGKDL-BMRADRMJSA-N 0 0 359.425 5.686 40 30 FKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000409099780 570724033 /nfs/dbraw/zinc/72/40/33/570724033.db2.gz LOQQSRWVIDFHPC-XIEYBQDHSA-N 0 0 372.468 5.375 40 30 FKEBRN Clc1ccc(Sc2ccc(/C=N/c3cccc4ccccc43)cc2)cc1 ZINC000409099909 570723984 /nfs/dbraw/zinc/72/39/84/570723984.db2.gz RKJIJHAUNLMPFH-PCLIKHOPSA-N 0 0 373.908 7.395 40 30 FKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 ZINC000409100308 571134303 /nfs/dbraw/zinc/13/43/03/571134303.db2.gz UZJDZWGMCAEDGW-UHFFFAOYSA-N 0 0 355.894 5.428 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cccc2ccccc21 ZINC000409100422 571134277 /nfs/dbraw/zinc/13/42/77/571134277.db2.gz NFCYZFMTCXEMEK-LFVJCYFKSA-N 0 0 360.457 5.208 40 30 FKEBRN Cc1cc(/N=C/c2ccc(N3CCCC3)c(F)c2)ccc1Br ZINC000409100541 570724059 /nfs/dbraw/zinc/72/40/59/570724059.db2.gz ULJVHMVGVGQKBK-CIAFOILYSA-N 0 0 361.258 5.247 40 30 FKEBRN C=CCN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O ZINC000409100584 571134275 /nfs/dbraw/zinc/13/42/75/571134275.db2.gz VBCKJQNUQUWICC-LGMDPLHJSA-N 0 0 353.468 5.060 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(Br)cc1C ZINC000409100887 571134321 /nfs/dbraw/zinc/13/43/21/571134321.db2.gz XDLWROWADQPWPV-GRSHGNNSSA-N 0 0 352.659 5.560 40 30 FKEBRN Oc1c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc2ccccc12 ZINC000409100895 571134284 /nfs/dbraw/zinc/13/42/84/571134284.db2.gz VVHVVFZTRHBUJE-MFKUBSTISA-N 0 0 373.839 6.742 40 30 FKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409101327 570724381 /nfs/dbraw/zinc/72/43/81/570724381.db2.gz SPTGPEXEZXTTKY-IUXPMGMMSA-N 0 0 353.603 5.070 40 30 FKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(C)cc1 ZINC000409101334 570724430 /nfs/dbraw/zinc/72/44/30/570724430.db2.gz BGZVKIJQLRSVCD-GATIEOLUSA-N 0 0 372.394 5.262 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2C)cc1 ZINC000409101495 571134240 /nfs/dbraw/zinc/13/42/40/571134240.db2.gz YNAAQNCVPFWABO-BUVRLJJBSA-N 0 0 365.860 6.590 40 30 FKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 ZINC000409101532 570724396 /nfs/dbraw/zinc/72/43/96/570724396.db2.gz YBJWUWBGOYFJQW-XKZIYDEJSA-N 0 0 358.293 6.895 40 30 FKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccc(C)cc2)cc1 ZINC000409101830 570724285 /nfs/dbraw/zinc/72/42/85/570724285.db2.gz ZAHVMXCJCONHTD-BUVRLJJBSA-N 0 0 365.860 6.590 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccc2ccccc2c1 ZINC000409101862 571134278 /nfs/dbraw/zinc/13/42/78/571134278.db2.gz ZGKXRQJMJQDHAB-JLPGSUDCSA-N 0 0 360.457 5.208 40 30 FKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccc(C)cc2)cc1 ZINC000409101922 571134205 /nfs/dbraw/zinc/13/42/05/571134205.db2.gz BXSCJKMIZFWANZ-FOCLMDBBSA-N 0 0 359.425 5.604 40 30 FKEBRN CCc1ccc(C(=O)C=CNc2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000409102367 570724659 /nfs/dbraw/zinc/72/46/59/570724659.db2.gz SHVWTNGVIDUFHW-WUKNDPDISA-N 0 0 373.452 5.858 40 30 FKEBRN Cc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000409102779 571134250 /nfs/dbraw/zinc/13/42/50/571134250.db2.gz FCYKGIRAXVRMSL-CCEZHUSRSA-N 0 0 363.844 6.249 40 30 FKEBRN CCc1ccc(C(=O)C=CNc2ccc(Br)cc2Cl)cc1 ZINC000409103040 570724836 /nfs/dbraw/zinc/72/48/36/570724836.db2.gz AAVOTEVZWCFAKY-MDZDMXLPSA-N 0 0 364.670 5.473 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)c(Br)c1 ZINC000409103129 570724726 /nfs/dbraw/zinc/72/47/26/570724726.db2.gz AWRVOCYDGWEEDV-MTJSOVHGSA-N 0 0 361.258 5.247 40 30 FKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000409103276 570724758 /nfs/dbraw/zinc/72/47/58/570724758.db2.gz XRWLZUVSIRLNQR-LPYMAVHISA-N 0 0 366.804 6.100 40 30 FKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409103369 571134329 /nfs/dbraw/zinc/13/43/29/571134329.db2.gz WEDHBCFCPCDMKC-XIEYBQDHSA-N 0 0 356.469 5.249 40 30 FKEBRN Cc1cc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1Br ZINC000409103392 570724679 /nfs/dbraw/zinc/72/46/79/570724679.db2.gz BGUMUGJZDBYORH-CAOOACKPSA-N 0 0 353.603 5.070 40 30 FKEBRN Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409103670 571134268 /nfs/dbraw/zinc/13/42/68/571134268.db2.gz DXGJCYKGBVTBHD-LPYMAVHISA-N 0 0 366.804 6.100 40 30 FKEBRN CCc1ccc(C(=O)C=CNc2ccc(Oc3cccc(OC)c3)cc2)cc1 ZINC000409104068 570722389 /nfs/dbraw/zinc/72/23/89/570722389.db2.gz DFDWCSBNYUREPN-FOCLMDBBSA-N 0 0 373.452 5.858 40 30 FKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000409104152 570722380 /nfs/dbraw/zinc/72/23/80/570722380.db2.gz FFTAKHPUDRXSKR-BUHFOSPRSA-N 0 0 367.807 6.080 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000409104200 571134542 /nfs/dbraw/zinc/13/45/42/571134542.db2.gz BTPXBQMSNBKGLU-UCQKPKSFSA-N 0 0 351.902 6.859 40 30 FKEBRN CCOc1cc2c(cc1/C=N\c1ccc(Oc3ccccc3)cc1)OCO2 ZINC000409104635 570722383 /nfs/dbraw/zinc/72/23/83/570722383.db2.gz GGQLIBKBDPPLKV-UCQKPKSFSA-N 0 0 361.397 5.357 40 30 FKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409105147 571134578 /nfs/dbraw/zinc/13/45/78/571134578.db2.gz GRVAYGCCISGJPY-MFKUBSTISA-N 0 0 373.839 6.742 40 30 FKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c1C ZINC000409105603 570726478 /nfs/dbraw/zinc/72/64/78/570726478.db2.gz JAGIIXKWCRHMCV-OEAKJJBVSA-N 0 0 352.865 6.321 40 30 FKEBRN C=CCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O ZINC000409105672 571134481 /nfs/dbraw/zinc/13/44/81/571134481.db2.gz NVEVAJPCDDPWCY-MHWRWJLKSA-N 0 0 359.834 5.131 40 30 FKEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409105678 571134600 /nfs/dbraw/zinc/13/46/00/571134600.db2.gz LPMFLLZCHLTFLK-LGPHULDDSA-N 0 0 371.790 5.377 40 30 FKEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl ZINC000409105684 571134487 /nfs/dbraw/zinc/13/44/87/571134487.db2.gz LPMFLLZCHLTFLK-XARWVIDASA-N 0 0 371.790 5.377 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 ZINC000409105960 263527119 /nfs/dbraw/zinc/52/71/19/263527119.db2.gz LUQSHJHTVZMYLL-FLVDCRJSSA-N 0 0 366.505 5.568 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(OC)c(N3CCCC3)cc2OC)cc1 ZINC000409105963 571134555 /nfs/dbraw/zinc/13/45/55/571134555.db2.gz LUQSHJHTVZMYLL-MXJLDLDKSA-N 0 0 366.505 5.568 40 30 FKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1cc(Cl)ccc1C ZINC000409106966 571134785 /nfs/dbraw/zinc/13/47/85/571134785.db2.gz PHJCWMQSKCVSTM-LPYMAVHISA-N 0 0 358.869 5.016 40 30 FKEBRN Cc1cc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)ccc1F ZINC000409106977 570727063 /nfs/dbraw/zinc/72/70/63/570727063.db2.gz PKDKYTNTIHOUBO-YDZHTSKRSA-N 0 0 355.865 6.689 40 30 FKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c1C ZINC000409107073 570727047 /nfs/dbraw/zinc/72/70/47/570727047.db2.gz UNUBEWKOHSGWNK-OEAKJJBVSA-N 0 0 352.865 6.321 40 30 FKEBRN Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br ZINC000409107155 570727056 /nfs/dbraw/zinc/72/70/56/570727056.db2.gz 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/nfs/dbraw/zinc/13/47/61/571134761.db2.gz VZAQSJROLSMFDU-XIEYBQDHSA-N 0 0 372.468 5.375 40 30 FKEBRN CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc12 ZINC000409108389 571134795 /nfs/dbraw/zinc/13/47/95/571134795.db2.gz XHDZBAUMYFDQBL-BHGWPJFGSA-N 0 0 359.351 5.098 40 30 FKEBRN COc1ccccc1Oc1ccc(NC(C)=CC(=O)c2ccccc2)cc1 ZINC000409108469 263527112 /nfs/dbraw/zinc/52/71/12/263527112.db2.gz UJJMCHKADLOOGJ-WUKNDPDISA-N 0 0 359.425 5.686 40 30 FKEBRN C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000409109252 263526679 /nfs/dbraw/zinc/52/66/79/263526679.db2.gz ALWTZGKDIDAQHE-UHFFFAOYSA-N 0 0 359.469 5.615 40 30 FKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)c(Cl)c2)cc1Cl ZINC000409109270 263526537 /nfs/dbraw/zinc/52/65/37/263526537.db2.gz ASJIVVPLZWKAJW-UHFFFAOYSA-N 0 0 356.680 6.132 40 30 FKEBRN C#CCOc1c(CC=C)cc(CNc2ccc(C)c(Cl)c2)cc1OC ZINC000409109348 571134879 /nfs/dbraw/zinc/13/48/79/571134879.db2.gz BZYSAHHBAQTULV-UHFFFAOYSA-N 0 0 355.865 5.010 40 30 FKEBRN O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N\c2ccc(O)cc2)c1 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/nfs/dbraw/zinc/21/65/50/571216550.db2.gz ICPZSHBXROIIQT-HMAPJEAMSA-N 0 0 363.417 5.152 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc4ccccc4c3)c2C)cc1 ZINC000409186912 263538980 /nfs/dbraw/zinc/53/89/80/263538980.db2.gz JLDNIDWQBUIYJZ-ONUIUJJFSA-N 0 0 368.480 6.397 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)cc1 ZINC000409186949 571216595 /nfs/dbraw/zinc/21/65/95/571216595.db2.gz KBABOLCPNSWREL-JLPGSUDCSA-N 0 0 361.489 5.309 40 30 FKEBRN CCCCc1ccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1 ZINC000409187241 570736538 /nfs/dbraw/zinc/73/65/38/570736538.db2.gz NVXNJVLYKKXVFJ-HZHRSRAPSA-N 0 0 353.462 5.110 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3O)c2C)cc1 ZINC000409187479 571216607 /nfs/dbraw/zinc/21/66/07/571216607.db2.gz QZFYQBLDEVMAMS-QRVIBDJDSA-N 0 0 368.864 5.602 40 30 FKEBRN CC(C)OC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2Cl)cc1 ZINC000409187584 263539038 /nfs/dbraw/zinc/53/90/38/263539038.db2.gz SDPOONJFHWKHPV-FBHDLOMBSA-N 0 0 366.244 5.074 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3OCC)c2C)cc1 ZINC000409187747 571216653 /nfs/dbraw/zinc/21/66/53/571216653.db2.gz UINRSIWTEMLMTK-JLPGSUDCSA-N 0 0 362.473 5.642 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 ZINC000409187939 570736465 /nfs/dbraw/zinc/73/64/65/570736465.db2.gz VVSJAEGKRJBZPV-PCLIKHOPSA-N 0 0 360.501 6.367 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)cc1 ZINC000409188011 570736506 /nfs/dbraw/zinc/73/65/06/570736506.db2.gz WHLZRLIYLVEODN-UCQKPKSFSA-N 0 0 352.865 5.897 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cccc4ccccc43)c2C)cc1 ZINC000409188193 571216783 /nfs/dbraw/zinc/21/67/83/571216783.db2.gz XIIZHTXDBMDPNJ-YZSQISJMSA-N 0 0 368.480 6.397 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([C@H](C)CC)cc3)c2C)cc1 ZINC000409188385 570736842 /nfs/dbraw/zinc/73/68/42/570736842.db2.gz YUUYXTKXGMFJLS-WNIQNGNASA-N 0 0 374.528 6.757 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc([C@@H](C)CC)cc3)c2C)cc1 ZINC000409188386 571216818 /nfs/dbraw/zinc/21/68/18/571216818.db2.gz YUUYXTKXGMFJLS-WYZSWBMLSA-N 0 0 374.528 6.757 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1 ZINC000409188463 571216757 /nfs/dbraw/zinc/21/67/57/571216757.db2.gz ZKBIGTNYAYWKSE-NLRVBDNBSA-N 0 0 374.528 6.586 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 ZINC000409188480 571217076 /nfs/dbraw/zinc/21/70/76/571217076.db2.gz ZQYSYLQFCHWEFP-UCQKPKSFSA-N 0 0 352.865 5.897 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3C)c2C)cc1 ZINC000409189989 571216986 /nfs/dbraw/zinc/21/69/86/571216986.db2.gz PGSDCFMMOPDOSM-ZVHZXABRSA-N 0 0 366.892 6.205 40 30 FKEBRN CCCCCCCCNC(=S)Nc1ccc2cc3ccccc3nc2c1 ZINC000409190247 571216925 /nfs/dbraw/zinc/21/69/25/571216925.db2.gz QPRANJNTCRUMIX-UHFFFAOYSA-N 0 0 365.546 6.035 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(C=Nc3ccc(C(C)=O)cc3)c2C)cc1 ZINC000409190598 570737719 /nfs/dbraw/zinc/73/77/19/570737719.db2.gz SPAGPFJAFSHORU-BUVRLJJBSA-N 0 0 360.457 5.446 40 30 FKEBRN CCOc1ccc(-n2c(C)cc(C=Nc3cccc(C(C)=O)c3)c2C)cc1 ZINC000409191001 570737746 /nfs/dbraw/zinc/73/77/46/570737746.db2.gz YAQCSIDZHANVLJ-BUVRLJJBSA-N 0 0 360.457 5.446 40 30 FKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(Br)cc1 ZINC000409195340 570738427 /nfs/dbraw/zinc/73/84/27/570738427.db2.gz ORVIKNDANJOZDA-UHFFFAOYSA-N 0 0 352.659 5.279 40 30 FKEBRN C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409195426 571217307 /nfs/dbraw/zinc/21/73/07/571217307.db2.gz PZNNTLMMMZZANL-UHFFFAOYSA-N 0 0 350.245 5.016 40 30 FKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(Br)cc1 ZINC000409198043 571217452 /nfs/dbraw/zinc/21/74/52/571217452.db2.gz VMFWVYKQGIQBKL-UHFFFAOYSA-N 0 0 368.274 5.779 40 30 FKEBRN C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409198922 263540534 /nfs/dbraw/zinc/54/05/34/263540534.db2.gz MMSVNTQIRUMIBO-UHFFFAOYSA-N 0 0 352.261 5.569 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C ZINC000409198940 571217565 /nfs/dbraw/zinc/21/75/65/571217565.db2.gz AIYGOEWBKFVEEE-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1C ZINC000409199113 263540982 /nfs/dbraw/zinc/54/09/82/263540982.db2.gz BDCGVBRPPYWZMB-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409199212 263540640 /nfs/dbraw/zinc/54/06/40/263540640.db2.gz BUPQTJUITQKCDC-XYGWBWBKSA-N 0 0 373.500 5.537 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1Cl ZINC000409199241 571217631 /nfs/dbraw/zinc/21/76/31/571217631.db2.gz AKGIPHSQZRVVLR-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)c(Cl)c1 ZINC000409199372 570739851 /nfs/dbraw/zinc/73/98/51/570739851.db2.gz CHKCKTXZUQIRAB-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)c1C ZINC000409199411 571217551 /nfs/dbraw/zinc/21/75/51/571217551.db2.gz CMPWLTVQYZOWCK-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN CCc1cccc2c(C#N)cn(CCCOc3ccc(Cl)c(C)c3)c21 ZINC000409199511 571217658 /nfs/dbraw/zinc/21/76/58/571217658.db2.gz OGFCMPZBWMYBJO-UHFFFAOYSA-N 0 0 352.865 5.506 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1Cl ZINC000409199788 570739764 /nfs/dbraw/zinc/73/97/64/570739764.db2.gz DWCJKXYMTOTUCC-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C ZINC000409199884 263540977 /nfs/dbraw/zinc/54/09/77/263540977.db2.gz FJNZZORIFNSNOV-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN COc1cc(Br)c(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409199901 570739721 /nfs/dbraw/zinc/73/97/21/570739721.db2.gz FGYLROOKGXRILB-DJKKODMXSA-N 0 0 368.658 5.179 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000409199916 570739859 /nfs/dbraw/zinc/73/98/59/570739859.db2.gz FRUBEKOXSZDXCK-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(Cl)c3)sc2C1 ZINC000409199931 570739846 /nfs/dbraw/zinc/73/98/46/570739846.db2.gz FWXOSNPOSYKTIA-GKGMIHAQSA-N 0 0 356.922 6.175 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(Cl)c3)sc2C1 ZINC000409199933 570739829 /nfs/dbraw/zinc/73/98/29/570739829.db2.gz FWXOSNPOSYKTIA-IIHGDPFSSA-N 0 0 356.922 6.175 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000409200108 571217727 /nfs/dbraw/zinc/21/77/27/571217727.db2.gz GRIVKYQRWVWLHQ-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccc(F)cc1 ZINC000409200149 570739838 /nfs/dbraw/zinc/73/98/38/570739838.db2.gz GTLRIEGOTKXCBD-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1Cl ZINC000409200277 263540480 /nfs/dbraw/zinc/54/04/80/263540480.db2.gz HUMLVOWZQNEEOH-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000409200535 571217713 /nfs/dbraw/zinc/21/77/13/571217713.db2.gz IABPQFIOTKWDLL-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2F)c1 ZINC000409200713 570739833 /nfs/dbraw/zinc/73/98/33/570739833.db2.gz ISBZCXNCOPQNFL-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000409200716 571217696 /nfs/dbraw/zinc/21/76/96/571217696.db2.gz JWKODOZFPVRAHR-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Clc1cc(/C=N/c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409200776 570739683 /nfs/dbraw/zinc/73/96/83/570739683.db2.gz JILYJTPUXONMDI-WGOQTCKBSA-N 0 0 371.867 6.823 40 30 FKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(F)cc1 ZINC000409200789 570739692 /nfs/dbraw/zinc/73/96/92/570739692.db2.gz IZFZBUNGYVXOKB-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl ZINC000409200799 570739694 /nfs/dbraw/zinc/73/96/94/570739694.db2.gz JOIFEAZLTRLWOZ-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1 ZINC000409200817 571217667 /nfs/dbraw/zinc/21/76/67/571217667.db2.gz JTZRAHKYQJDIIB-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409200887 570739718 /nfs/dbraw/zinc/73/97/18/570739718.db2.gz JYZWKHOJYXBGLC-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000409200925 263540726 /nfs/dbraw/zinc/54/07/26/263540726.db2.gz KKAIBRRKYJQULH-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409200950 263540485 /nfs/dbraw/zinc/54/04/85/263540485.db2.gz KOXMBHHZKKSEHS-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409200956 570739761 /nfs/dbraw/zinc/73/97/61/570739761.db2.gz KRLPPLXDVRPDCM-RGVLZGJSSA-N 0 0 362.654 5.174 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccccc2C)c1 ZINC000409201174 571217718 /nfs/dbraw/zinc/21/77/18/571217718.db2.gz KDWHXYJYAWDZAX-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1cccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c1C ZINC000409201366 263540530 /nfs/dbraw/zinc/54/05/30/263540530.db2.gz MDHVQLVJLJMWRC-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409201373 571217730 /nfs/dbraw/zinc/21/77/30/571217730.db2.gz MHDKNQZRRXQAKI-RGVLZGJSSA-N 0 0 364.670 5.726 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl ZINC000409201394 571217550 /nfs/dbraw/zinc/21/75/50/571217550.db2.gz MQUSDIZUCWBACN-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cc(C)ccc2C)c1 ZINC000409201481 570739757 /nfs/dbraw/zinc/73/97/57/570739757.db2.gz NMIZXMCGNAFDHZ-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN Clc1ccc(COc2cccc(/C=N\c3ccccc3)c2)c(Cl)c1 ZINC000409201534 263540965 /nfs/dbraw/zinc/54/09/65/263540965.db2.gz MBCLWLBLXMFEMM-QRVIBDJDSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000409201575 263541067 /nfs/dbraw/zinc/54/10/67/263541067.db2.gz MRGMSGQDZGTONM-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc4ccccc43)c2)c1 ZINC000409201594 263540969 /nfs/dbraw/zinc/54/09/69/263540969.db2.gz MWHDUROTDQTEGR-PKAZHMFMSA-N 0 0 365.476 6.786 40 30 FKEBRN C=CCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409201653 571217785 /nfs/dbraw/zinc/21/77/85/571217785.db2.gz NHMSPXPJGMSXPV-CIAFOILYSA-N 0 0 374.278 5.390 40 30 FKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000409201771 570740222 /nfs/dbraw/zinc/74/02/22/570740222.db2.gz PPNIREURFGRCIO-UHFFFAOYSA-N 0 0 370.663 5.280 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)cc1 ZINC000409201865 263540594 /nfs/dbraw/zinc/54/05/94/263540594.db2.gz OIURAGIAIYFVFV-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409202010 263541106 /nfs/dbraw/zinc/54/11/06/263541106.db2.gz QCNOTYQTNCOLTG-BUVRLJJBSA-N 0 0 361.441 5.342 40 30 FKEBRN CCOc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000409202203 571217791 /nfs/dbraw/zinc/21/77/91/571217791.db2.gz QAAZXZLYWYNYTK-IWIPYMOSSA-N 0 0 365.860 6.068 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1C ZINC000409202210 570740188 /nfs/dbraw/zinc/74/01/88/570740188.db2.gz QCXOCILPVOKWTG-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1Cl ZINC000409202216 263541124 /nfs/dbraw/zinc/54/11/24/263541124.db2.gz QFXIZBOBIXHYBH-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1 ZINC000409202230 263541233 /nfs/dbraw/zinc/54/12/33/263541233.db2.gz QMUIGPFVGYWCAB-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN O=C1CCCC2=C1C(c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2 ZINC000409202239 570740181 /nfs/dbraw/zinc/74/01/81/570740181.db2.gz QQMLDSBUUAZUTH-UHFFFAOYSA-N 0 0 363.240 5.121 40 30 FKEBRN Brc1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 ZINC000409202247 571217901 /nfs/dbraw/zinc/21/79/01/571217901.db2.gz QSOGHRFNXZYZPU-HYARGMPZSA-N 0 0 366.258 5.779 40 30 FKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1NC(=O)c1ccccc1 ZINC000409202479 263541014 /nfs/dbraw/zinc/54/10/14/263541014.db2.gz RADPZSOYFBCDGE-XYGWBWBKSA-N 0 0 367.452 5.393 40 30 FKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000409202525 571217663 /nfs/dbraw/zinc/21/76/63/571217663.db2.gz QXSCLOZGMQXNCT-UFFVCSGVSA-N 0 0 352.648 5.718 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl ZINC000409202683 263541111 /nfs/dbraw/zinc/54/11/11/263541111.db2.gz SPFKTFDYQPCBSP-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 ZINC000409202700 571217728 /nfs/dbraw/zinc/21/77/28/571217728.db2.gz TVQFMBPISXTDSL-YDZHTSKRSA-N 0 0 365.864 5.201 40 30 FKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1C ZINC000409202711 570740200 /nfs/dbraw/zinc/74/02/00/570740200.db2.gz UFIWAKJSPKQWNC-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2)c1 ZINC000409202790 570740215 /nfs/dbraw/zinc/74/02/15/570740215.db2.gz SEEBHYWUICVJOG-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000409202795 570740158 /nfs/dbraw/zinc/74/01/58/570740158.db2.gz SFGQDEOURGXMFX-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccccc1 ZINC000409202919 571217822 /nfs/dbraw/zinc/21/78/22/571217822.db2.gz UHWKWAJCNNJOPU-ZVHZXABRSA-N 0 0 365.860 5.987 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc3ccccc32)cc1C ZINC000409202927 263540696 /nfs/dbraw/zinc/54/06/96/263540696.db2.gz UIPPJEDKEWKTMY-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)c(C)c2)c1 ZINC000409202993 571217867 /nfs/dbraw/zinc/21/78/67/571217867.db2.gz VMSJZOXSMSOZEW-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN Cc1cccc(/N=C/c2ccccc2OCc2cccc3ccccc32)c1C ZINC000409202995 570740154 /nfs/dbraw/zinc/74/01/54/570740154.db2.gz UBJVFYVCSMESMW-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000409203165 571217863 /nfs/dbraw/zinc/21/78/63/571217863.db2.gz UUUDFURGISQKDO-UFFVCSGVSA-N 0 0 354.664 6.271 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1Cl ZINC000409203497 570740243 /nfs/dbraw/zinc/74/02/43/570740243.db2.gz YHGNNPQXIPSSOG-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN CCc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409203516 570740211 /nfs/dbraw/zinc/74/02/11/570740211.db2.gz XNRORTHBNZRWOT-IMRQLAEWSA-N 0 0 365.476 6.732 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 ZINC000409203521 263540793 /nfs/dbraw/zinc/54/07/93/263540793.db2.gz XQPJLRYQDFBUGQ-MFKUBSTISA-N 0 0 359.469 5.950 40 30 FKEBRN C=CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409203639 263540648 /nfs/dbraw/zinc/54/06/48/263540648.db2.gz ZQLQJULZOYPPTK-RGVLZGJSSA-N 0 0 364.670 5.726 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000409203830 570740122 /nfs/dbraw/zinc/74/01/22/570740122.db2.gz YEIXLLIODDJCIS-OEAKJJBVSA-N 0 0 360.413 5.541 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000409203856 570740164 /nfs/dbraw/zinc/74/01/64/570740164.db2.gz YJSGZSBPHLSESX-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 ZINC000409207665 571218114 /nfs/dbraw/zinc/21/81/14/571218114.db2.gz ZXNYLHGPDSDDND-UHFFFAOYSA-N 0 0 358.268 6.324 40 30 FKEBRN C#CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409207887 571218134 /nfs/dbraw/zinc/21/81/34/571218134.db2.gz CAOHJIKSPGTKDK-RGVLZGJSSA-N 0 0 362.654 5.174 40 30 FKEBRN Fc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409207990 571218132 /nfs/dbraw/zinc/21/81/32/571218132.db2.gz DPTGESCTVDUPGA-WYMPLXKRSA-N 0 0 374.242 6.462 40 30 FKEBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 ZINC000409208106 570739725 /nfs/dbraw/zinc/73/97/25/570739725.db2.gz AWUDZQGVMBXLMM-LPYMAVHISA-N 0 0 366.804 5.578 40 30 FKEBRN COc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000409208194 571217996 /nfs/dbraw/zinc/21/79/96/571217996.db2.gz ACWIZEISFAYORO-UCQKPKSFSA-N 0 0 351.833 5.678 40 30 FKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3cc(C)ccc3C)c2)c1 ZINC000409208206 570739790 /nfs/dbraw/zinc/73/97/90/570739790.db2.gz AHMLOEQQLHEVRN-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN CC(=C\c1ccccc1)/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409208315 571218111 /nfs/dbraw/zinc/21/81/11/571218111.db2.gz AOJPWNQZPCUTAN-LUUPDICESA-N 0 0 362.542 6.577 40 30 FKEBRN CC(=C\c1ccccc1)/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409208316 571218146 /nfs/dbraw/zinc/21/81/46/571218146.db2.gz AOJPWNQZPCUTAN-OWBMZXSDSA-N 0 0 362.542 6.577 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409208342 263541864 /nfs/dbraw/zinc/54/18/64/263541864.db2.gz ATRDZLNIWZDTPS-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c1 ZINC000409208344 571217919 /nfs/dbraw/zinc/21/79/19/571217919.db2.gz FIHJLNSTTWJGSE-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000409208414 570739884 /nfs/dbraw/zinc/73/98/84/570739884.db2.gz FVGYTWGXKQPNCU-OEAKJJBVSA-N 0 0 360.413 5.541 40 30 FKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409208423 570739814 /nfs/dbraw/zinc/73/98/14/570739814.db2.gz FWPQRPNWLLXRIJ-CIAFOILYSA-N 0 0 374.278 5.390 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000409208602 263541863 /nfs/dbraw/zinc/54/18/63/263541863.db2.gz HDNFAPBNYRYVHV-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1 ZINC000409208659 571218220 /nfs/dbraw/zinc/21/82/20/571218220.db2.gz DIKYLVWWBUWJBG-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN Fc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1 ZINC000409208720 571218257 /nfs/dbraw/zinc/21/82/57/571218257.db2.gz CSYGYFXNWMGLBQ-WYMPLXKRSA-N 0 0 374.242 6.462 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C ZINC000409208751 571218216 /nfs/dbraw/zinc/21/82/16/571218216.db2.gz DBIFCHVRONLIQT-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccccc3[N+](=O)[O-])sc2C1 ZINC000409208786 570739672 /nfs/dbraw/zinc/73/96/72/570739672.db2.gz ABZZVHKMNGRODI-JCRYTKJOSA-N 0 0 367.474 5.430 40 30 FKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccccc3[N+](=O)[O-])sc2C1 ZINC000409208789 263541952 /nfs/dbraw/zinc/54/19/52/263541952.db2.gz ABZZVHKMNGRODI-ZDXHCBJDSA-N 0 0 367.474 5.430 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1C ZINC000409208871 570739893 /nfs/dbraw/zinc/73/98/93/570739893.db2.gz APZGPECTRMJJAR-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1C ZINC000409208875 571218323 /nfs/dbraw/zinc/21/83/23/571218323.db2.gz DVCMYOPEWYWVHN-UCQKPKSFSA-N 0 0 360.413 5.541 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1cccc(F)c1 ZINC000409208934 570739878 /nfs/dbraw/zinc/73/98/78/570739878.db2.gz DKQBPIDPCRGEAT-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN Clc1ccc(OCc2cccc3ccccc32)c(/C=N/c2ccccc2)c1 ZINC000409208936 571218330 /nfs/dbraw/zinc/21/83/30/571218330.db2.gz DKSITILKKKTKMQ-WGOQTCKBSA-N 0 0 371.867 6.823 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1F ZINC000409208937 571218332 /nfs/dbraw/zinc/21/83/32/571218332.db2.gz AWCIRPIPIJDMRN-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OC ZINC000409209149 571218352 /nfs/dbraw/zinc/21/83/52/571218352.db2.gz HIHZFUFTYISOCF-DJKKODMXSA-N 0 0 368.658 5.179 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000409209157 571218277 /nfs/dbraw/zinc/21/82/77/571218277.db2.gz HJRUKFZEUFLMMO-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000409209326 570739809 /nfs/dbraw/zinc/73/98/09/570739809.db2.gz FTFGJVIUIFIBMW-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1Cl ZINC000409209356 263541597 /nfs/dbraw/zinc/54/15/97/263541597.db2.gz GFAVUVQSNISYDQ-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000409209388 263541473 /nfs/dbraw/zinc/54/14/73/263541473.db2.gz FBJVJHDORKYHJS-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)c(C)c3)c2)c1 ZINC000409209427 571218259 /nfs/dbraw/zinc/21/82/59/571218259.db2.gz FLDZTNRZSDOFJE-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN Fc1cccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 ZINC000409209568 570740528 /nfs/dbraw/zinc/74/05/28/570740528.db2.gz HAWFIFPVZPIEFQ-WGOQTCKBSA-N 0 0 355.412 6.309 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409209833 263541430 /nfs/dbraw/zinc/54/14/30/263541430.db2.gz HTTLYCMEEQTBTN-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409209911 570740668 /nfs/dbraw/zinc/74/06/68/570740668.db2.gz JSUXHMCUDLLITD-XYGWBWBKSA-N 0 0 372.468 5.326 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1Cl ZINC000409210000 571218333 /nfs/dbraw/zinc/21/83/33/571218333.db2.gz IWLXEZRYTHAGDL-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Fc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccccc1 ZINC000409210329 570740645 /nfs/dbraw/zinc/74/06/45/570740645.db2.gz JMOLKRIAQMCSBF-WGOQTCKBSA-N 0 0 355.412 6.309 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1C ZINC000409210357 571218304 /nfs/dbraw/zinc/21/83/04/571218304.db2.gz KKFSRRMQOXWTSN-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1C(C)C ZINC000409210485 570740566 /nfs/dbraw/zinc/74/05/66/570740566.db2.gz JCODKOPICKRUPX-GDUWUPNNSA-N 0 0 357.306 5.083 40 30 FKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OC ZINC000409210534 570740620 /nfs/dbraw/zinc/74/06/20/570740620.db2.gz LEGWKJNOKHPLLX-DJKKODMXSA-N 0 0 368.658 5.179 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(F)cc1 ZINC000409210565 263541595 /nfs/dbraw/zinc/54/15/95/263541595.db2.gz LLCAYKHAUVTRSD-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000409210635 570741074 /nfs/dbraw/zinc/74/10/74/570741074.db2.gz KLORHDHVKHLQFK-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000409210685 571218265 /nfs/dbraw/zinc/21/82/65/571218265.db2.gz LZSXYQDFDBXMCK-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Clc1cccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)c1 ZINC000409210748 570740978 /nfs/dbraw/zinc/74/09/78/570740978.db2.gz GPRKJZZRZFGKCW-WGOQTCKBSA-N 0 0 371.867 6.823 40 30 FKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1F ZINC000409210794 571218360 /nfs/dbraw/zinc/21/83/60/571218360.db2.gz LIIXKVGBFTVNKG-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cc(C)ccc3C)cc2)c1 ZINC000409210800 570740923 /nfs/dbraw/zinc/74/09/23/570740923.db2.gz MNKXKQZLPKENHX-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1C ZINC000409210898 571218211 /nfs/dbraw/zinc/21/82/11/571218211.db2.gz MAGRJOHBINHSGC-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1Cl ZINC000409210946 571218520 /nfs/dbraw/zinc/21/85/20/571218520.db2.gz LUAQPQYLRZXQOG-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409211085 263541903 /nfs/dbraw/zinc/54/19/03/263541903.db2.gz MPYSWJGTSHYOET-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Brc1ccc(OCc2ccccc2)c(/C=N/c2ccccc2)c1 ZINC000409211112 571218535 /nfs/dbraw/zinc/21/85/35/571218535.db2.gz KVORELLZYGZMAF-HYARGMPZSA-N 0 0 366.258 5.779 40 30 FKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409211195 571218546 /nfs/dbraw/zinc/21/85/46/571218546.db2.gz NAZFJGGMRRYZQD-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1C ZINC000409211370 571218486 /nfs/dbraw/zinc/21/84/86/571218486.db2.gz NOPIYYVAWHWZLK-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000409211379 263541466 /nfs/dbraw/zinc/54/14/66/263541466.db2.gz LQDVTZYBJIWNFO-IWIPYMOSSA-N 0 0 365.860 6.068 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2cccc(C)c2C)c1 ZINC000409211472 571218555 /nfs/dbraw/zinc/21/85/55/571218555.db2.gz NUGLRUCWFCRCFL-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409211536 570741048 /nfs/dbraw/zinc/74/10/48/570741048.db2.gz NTWMDPHOUDSPAO-HYARGMPZSA-N 0 0 366.258 5.779 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1C ZINC000409211542 263541657 /nfs/dbraw/zinc/54/16/57/263541657.db2.gz NUVBBZQWUCMHCA-UCQKPKSFSA-N 0 0 360.413 5.541 40 30 FKEBRN Cc1cccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)c1C ZINC000409211683 571218393 /nfs/dbraw/zinc/21/83/93/571218393.db2.gz MRYSCZMRNSJAET-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409211751 571218490 /nfs/dbraw/zinc/21/84/90/571218490.db2.gz OCYWONJJMWGPRD-SRZZPIQSSA-N 0 0 350.245 5.626 40 30 FKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(C)cc1 ZINC000409211799 571218493 /nfs/dbraw/zinc/21/84/93/571218493.db2.gz OPSDYUUKDZFCJR-MFKUBSTISA-N 0 0 359.469 5.950 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1Cl ZINC000409211914 263541720 /nfs/dbraw/zinc/54/17/20/263541720.db2.gz OPAIIXYJKXGWQF-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000409212063 570740906 /nfs/dbraw/zinc/74/09/06/570740906.db2.gz POPJYPJAYYYIBP-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409212088 571218500 /nfs/dbraw/zinc/21/85/00/571218500.db2.gz PXSJZGVGGWOGMP-HAHDFKILSA-N 0 0 360.413 5.487 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1Cl ZINC000409212223 570740982 /nfs/dbraw/zinc/74/09/82/570740982.db2.gz OAMBNUCPELTHBD-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409212254 570740955 /nfs/dbraw/zinc/74/09/55/570740955.db2.gz OIAOXFJHDDZOJR-RGVLZGJSSA-N 0 0 362.654 5.174 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1cccc(F)c1 ZINC000409212261 571218636 /nfs/dbraw/zinc/21/86/36/571218636.db2.gz PDJSMKQRYMMFMJ-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1Cl ZINC000409212271 571218625 /nfs/dbraw/zinc/21/86/25/571218625.db2.gz OKTCXDQMSGYXBM-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN O=C(COc1ccc(/C=N/c2ccccc2)cc1Cl)Nc1ccccc1 ZINC000409212274 570741013 /nfs/dbraw/zinc/74/10/13/570741013.db2.gz PHZPPPPFEBCRJG-OEAKJJBVSA-N 0 0 364.832 5.108 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)c(C)c1 ZINC000409212420 571218645 /nfs/dbraw/zinc/21/86/45/571218645.db2.gz PVJNUOKGVGJZTF-PKAZHMFMSA-N 0 0 365.476 6.786 40 30 FKEBRN O=[N+]([O-])c1ccc(Oc2ccccc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 ZINC000409212461 263542917 /nfs/dbraw/zinc/54/29/17/263542917.db2.gz QGYZSHFSULZKBJ-DEDYPNTBSA-N 0 0 363.329 5.046 40 30 FKEBRN Cc1cccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)c1C ZINC000409212485 571218573 /nfs/dbraw/zinc/21/85/73/571218573.db2.gz MQTLOFVTQGKDPG-PKAZHMFMSA-N 0 0 365.476 6.786 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409212551 263542583 /nfs/dbraw/zinc/54/25/83/263542583.db2.gz QPVFPKNKAWWSET-OEAKJJBVSA-N 0 0 360.413 5.541 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409212610 263542827 /nfs/dbraw/zinc/54/28/27/263542827.db2.gz QYIYAXVSQVBABZ-SRZZPIQSSA-N 0 0 350.245 5.626 40 30 FKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409212628 570741033 /nfs/dbraw/zinc/74/10/33/570741033.db2.gz RBARVODXQYTMFR-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1Cl ZINC000409212664 570741065 /nfs/dbraw/zinc/74/10/65/570741065.db2.gz RLFROYJPUWGYIP-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN O=C(COc1ccc(Cl)cc1/C=N/c1ccccc1)Nc1ccccc1 ZINC000409212734 571218674 /nfs/dbraw/zinc/21/86/74/571218674.db2.gz QEEUBJXKZGMDIR-OEAKJJBVSA-N 0 0 364.832 5.108 40 30 FKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(C)cc3C)c2)c1 ZINC000409212870 570741057 /nfs/dbraw/zinc/74/10/57/570741057.db2.gz RSJTYTIMYMBLBZ-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000409213015 571218640 /nfs/dbraw/zinc/21/86/40/571218640.db2.gz NXKIPXFVRZXIKT-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN Brc1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 ZINC000409213153 570740995 /nfs/dbraw/zinc/74/09/95/570740995.db2.gz SUWJZSWGJWVXHP-HMAPJEAMSA-N 0 0 366.258 5.779 40 30 FKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1C ZINC000409213304 571218749 /nfs/dbraw/zinc/21/87/49/571218749.db2.gz UHYFLZNFZBLFED-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1ccccc1/N=C\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409213429 263542569 /nfs/dbraw/zinc/54/25/69/263542569.db2.gz UZXHSPOZAWHCOM-ONUIUJJFSA-N 0 0 351.449 6.478 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000409213438 570741444 /nfs/dbraw/zinc/74/14/44/570741444.db2.gz VFECAIVJMCJDAO-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 ZINC000409213457 571218656 /nfs/dbraw/zinc/21/86/56/571218656.db2.gz VNQOSRFXQKDFEL-MFKUBSTISA-N 0 0 359.469 5.950 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2F)c1 ZINC000409213522 571218750 /nfs/dbraw/zinc/21/87/50/571218750.db2.gz UQPHXJXJNIKGMS-CFRMEGHHSA-N 0 0 353.824 6.117 40 30 FKEBRN COc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409213553 570741588 /nfs/dbraw/zinc/74/15/88/570741588.db2.gz SDPNQTLHFCZANV-ONUIUJJFSA-N 0 0 367.448 6.178 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl ZINC000409213559 571218711 /nfs/dbraw/zinc/21/87/11/571218711.db2.gz UUHTTWAFBRBAIJ-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2)c1 ZINC000409213678 570741468 /nfs/dbraw/zinc/74/14/68/570741468.db2.gz QGDWLRPTJHOREC-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN O=[N+]([O-])c1ccc(Oc2cccc(/C=N\c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000409213751 263542893 /nfs/dbraw/zinc/54/28/93/263542893.db2.gz VCVZVGUMOSMQTI-MOSHPQCFSA-N 0 0 363.329 5.046 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409213810 571218751 /nfs/dbraw/zinc/21/87/51/571218751.db2.gz UPULGWDHXJZJTP-UFFVCSGVSA-N 0 0 354.664 6.271 40 30 FKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(C)cc2)cc1 ZINC000409213922 571218722 /nfs/dbraw/zinc/21/87/22/571218722.db2.gz UJOYKFOEXZJCDX-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1Cl ZINC000409214126 570741438 /nfs/dbraw/zinc/74/14/38/570741438.db2.gz VWYSOXQBABNUHT-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN COc1cc(Br)c(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409214321 570741489 /nfs/dbraw/zinc/74/14/89/570741489.db2.gz SLBLZXWVKPEBTR-DJKKODMXSA-N 0 0 368.658 5.179 40 30 FKEBRN Cc1cccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)c1C ZINC000409214401 263542658 /nfs/dbraw/zinc/54/26/58/263542658.db2.gz XGIXJZBGHIFWIW-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN C#CCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409214514 571218613 /nfs/dbraw/zinc/21/86/13/571218613.db2.gz VOHOFFQIZZCGJP-RGVLZGJSSA-N 0 0 362.654 5.174 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)cc3C)cc2)c1 ZINC000409214646 571218814 /nfs/dbraw/zinc/21/88/14/571218814.db2.gz ZAUNBOGRBPSDEP-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN C=CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409214681 263542426 /nfs/dbraw/zinc/54/24/26/263542426.db2.gz ZTONBMDTXODARQ-RGVLZGJSSA-N 0 0 364.670 5.726 40 30 FKEBRN Fc1ccccc1COc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000409214818 571218577 /nfs/dbraw/zinc/21/85/77/571218577.db2.gz URRWVTCJRQIWOV-WYMPLXKRSA-N 0 0 374.242 6.462 40 30 FKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1Cl ZINC000409214824 571218694 /nfs/dbraw/zinc/21/86/94/571218694.db2.gz YKASBGMKPGYFJT-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN COc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000409214833 570741433 /nfs/dbraw/zinc/74/14/33/570741433.db2.gz ZESIEOFWQQLADM-UCQKPKSFSA-N 0 0 351.833 5.678 40 30 FKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccccc3C)c2)c1 ZINC000409214942 570741565 /nfs/dbraw/zinc/74/15/65/570741565.db2.gz VIPDXVZXSGOTQZ-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c(C)c1 ZINC000409215147 570741592 /nfs/dbraw/zinc/74/15/92/570741592.db2.gz ZYBGFLRABHUWJX-UCQKPKSFSA-N 0 0 360.413 5.541 40 30 FKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000409215174 570741392 /nfs/dbraw/zinc/74/13/92/570741392.db2.gz XWXSDFHJJYQEDE-IWIPYMOSSA-N 0 0 365.860 6.068 40 30 FKEBRN C=CCOc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409215357 263542949 /nfs/dbraw/zinc/54/29/49/263542949.db2.gz ZONLGJWPFIAASY-RGVLZGJSSA-N 0 0 364.670 5.726 40 30 FKEBRN Clc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000409215568 570741482 /nfs/dbraw/zinc/74/14/82/570741482.db2.gz BIEFRLUFKMGDNA-WGOQTCKBSA-N 0 0 371.867 6.823 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1Cl ZINC000409215587 570741560 /nfs/dbraw/zinc/74/15/60/570741560.db2.gz BUPJGLSTWPWQII-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409215690 570741479 /nfs/dbraw/zinc/74/14/79/570741479.db2.gz DNXDDFJSWJTWLA-ZVHZXABRSA-N 0 0 365.860 5.987 40 30 FKEBRN Clc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccccc2)c1 ZINC000409215698 570741424 /nfs/dbraw/zinc/74/14/24/570741424.db2.gz DRDVDUBECAWKPI-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN COc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000409215737 570741556 /nfs/dbraw/zinc/74/15/56/570741556.db2.gz DVBMIRJVQXHWTQ-UCQKPKSFSA-N 0 0 351.833 5.678 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1C ZINC000409215823 570741539 /nfs/dbraw/zinc/74/15/39/570741539.db2.gz FPCHDRDHCJVTPE-PKAZHMFMSA-N 0 0 365.476 6.786 40 30 FKEBRN Brc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 ZINC000409215890 570741459 /nfs/dbraw/zinc/74/14/59/570741459.db2.gz GETXZDVBQGMQRN-HYARGMPZSA-N 0 0 366.258 5.779 40 30 FKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1 ZINC000409215974 571218996 /nfs/dbraw/zinc/21/89/96/571218996.db2.gz GZKGBOVMHPGIHI-YZSQISJMSA-N 0 0 351.449 6.478 40 30 FKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Cl ZINC000409216059 571218912 /nfs/dbraw/zinc/21/89/12/571218912.db2.gz HPQAXGCRVROKEO-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)c1 ZINC000409216160 570741863 /nfs/dbraw/zinc/74/18/63/570741863.db2.gz FTSAMLZGRNCBJN-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(C)cc1 ZINC000409216177 263542577 /nfs/dbraw/zinc/54/25/77/263542577.db2.gz IJOIJEUTFOCWPI-MFKUBSTISA-N 0 0 359.469 5.950 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1C ZINC000409216279 571218993 /nfs/dbraw/zinc/21/89/93/571218993.db2.gz JPZPCDVDRBVAMF-IWIPYMOSSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1NC(=O)c1ccccc1 ZINC000409216389 570741941 /nfs/dbraw/zinc/74/19/41/570741941.db2.gz HSYCATMMMJKXPB-YDZHTSKRSA-N 0 0 365.864 5.201 40 30 FKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1Cl ZINC000409216412 571218849 /nfs/dbraw/zinc/21/88/49/571218849.db2.gz HXPMYFJMQDROER-VBKFSLOCSA-N 0 0 365.882 5.131 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)cc2)cc1C ZINC000409216495 263542646 /nfs/dbraw/zinc/54/26/46/263542646.db2.gz LYQSYLVEMMAVTM-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN C#CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409216545 263542876 /nfs/dbraw/zinc/54/28/76/263542876.db2.gz JDWXLZOGGKYGCI-UFFVCSGVSA-N 0 0 352.648 5.718 40 30 FKEBRN Clc1cccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 ZINC000409216672 571218995 /nfs/dbraw/zinc/21/89/95/571218995.db2.gz NRTOCXDYMGSGHB-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 ZINC000409216757 571218780 /nfs/dbraw/zinc/21/87/80/571218780.db2.gz OHHCROVTDWGWDM-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1cccc(F)c1 ZINC000409216763 263542510 /nfs/dbraw/zinc/54/25/10/263542510.db2.gz LIHXVVKZEQPLRF-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1F ZINC000409216793 570741808 /nfs/dbraw/zinc/74/18/08/570741808.db2.gz ONFLVVPBTBNLSS-AFUMVMLFSA-N 0 0 363.432 5.781 40 30 FKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2F)c1C ZINC000409216860 570741858 /nfs/dbraw/zinc/74/18/58/570741858.db2.gz PAVCBYJPPRXNOU-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 ZINC000409216906 571219174 /nfs/dbraw/zinc/21/91/74/571219174.db2.gz MFSMJDKOERSIBP-ZVHZXABRSA-N 0 0 365.860 5.987 40 30 FKEBRN Cc1ccc(/N=C/c2c(OCc3ccccc3)ccc3ccccc32)cc1C ZINC000409216913 571219176 /nfs/dbraw/zinc/21/91/76/571219176.db2.gz MIAKSIJOUNIQEL-WPWMEQJKSA-N 0 0 365.476 6.786 40 30 FKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3cccc(C)c3C)c2)c1 ZINC000409217044 571219026 /nfs/dbraw/zinc/21/90/26/571219026.db2.gz NMXXKMCVMYVMHK-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 ZINC000409217093 571219188 /nfs/dbraw/zinc/21/91/88/571219188.db2.gz RMLWXNDZYIZYPO-ZVHZXABRSA-N 0 0 365.860 5.987 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 ZINC000409217312 571219178 /nfs/dbraw/zinc/21/91/78/571219178.db2.gz OYCDSAOGHMTRSK-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000409217466 571219142 /nfs/dbraw/zinc/21/91/42/571219142.db2.gz VRSCHLRHHFHPFF-OEAKJJBVSA-N 0 0 360.413 5.541 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409217492 571219060 /nfs/dbraw/zinc/21/90/60/571219060.db2.gz CMKDJPPLMCEWLF-CFRMEGHHSA-N 0 0 370.279 6.631 40 30 FKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 ZINC000409217571 263542440 /nfs/dbraw/zinc/54/24/40/263542440.db2.gz QEHHNDXOYYPHKM-AFUMVMLFSA-N 0 0 363.888 6.595 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1C ZINC000409217886 263542438 /nfs/dbraw/zinc/54/24/38/263542438.db2.gz YALDBZJXJFUEEZ-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(C)cc2C)c1 ZINC000409217958 263542545 /nfs/dbraw/zinc/54/25/45/263542545.db2.gz GFOKZLUOLHJSLD-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN CCc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccccc3)c2)cc1 ZINC000409218069 570741739 /nfs/dbraw/zinc/74/17/39/570741739.db2.gz SLERIXOIMSLQLK-JLPGSUDCSA-N 0 0 358.441 5.017 40 30 FKEBRN Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000409218380 263542906 /nfs/dbraw/zinc/54/29/06/263542906.db2.gz UUDUWVNVLFYZSW-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1Cl ZINC000409218918 570741875 /nfs/dbraw/zinc/74/18/75/570741875.db2.gz YJEABYPWSFRGOJ-ZMOGYAJESA-N 0 0 370.279 6.631 40 30 FKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccccc2)c(Cl)c1 ZINC000409218963 570741981 /nfs/dbraw/zinc/74/19/81/570741981.db2.gz ZBSKJFGWRHCQQR-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1C ZINC000409219000 571220449 /nfs/dbraw/zinc/22/04/49/571220449.db2.gz ZLCFOHDXLPKTPD-DHRITJCHSA-N 0 0 367.851 6.426 40 30 FKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc4ccccc43)c2)cc1 ZINC000409219015 571220380 /nfs/dbraw/zinc/22/03/80/571220380.db2.gz ZPJPUTSXHYHLRE-ONUIUJJFSA-N 0 0 351.449 6.478 40 30 FKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409219035 570741990 /nfs/dbraw/zinc/74/19/90/570741990.db2.gz ZXTLHLLVBULPRE-YDZHTSKRSA-N 0 0 356.252 6.323 40 30 FKEBRN Clc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccccc1 ZINC000409219415 571220267 /nfs/dbraw/zinc/22/02/67/571220267.db2.gz QFZNNCQGPSJGDV-WGOQTCKBSA-N 0 0 371.867 6.823 40 30 FKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409219653 570741769 /nfs/dbraw/zinc/74/17/69/570741769.db2.gz SVMJCXQJETVBDX-ZMOGYAJESA-N 0 0 353.824 6.117 40 30 FKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409220035 571220513 /nfs/dbraw/zinc/22/05/13/571220513.db2.gz XPDKBGXWJPSNBB-LPYMAVHISA-N 0 0 366.804 5.578 40 30 FKEBRN COc1ccccc1/N=C/c1ccc(-c2ccc(C)cc2Br)o1 ZINC000409220525 570742352 /nfs/dbraw/zinc/74/23/52/570742352.db2.gz BARRABQPHGMFDV-CIAFOILYSA-N 0 0 370.246 5.777 40 30 FKEBRN COc1ccccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409220582 571222173 /nfs/dbraw/zinc/22/21/73/571222173.db2.gz BTRZVWSNJNHGTD-MYYYXRDXSA-N 0 0 358.416 5.588 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 ZINC000409220614 571222169 /nfs/dbraw/zinc/22/21/69/571222169.db2.gz CFPBCFQLRPSUAA-OEAKJJBVSA-N 0 0 351.902 6.859 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3cccc(F)c3)o2)c(Br)c1 ZINC000409220670 571222055 /nfs/dbraw/zinc/22/20/55/571222055.db2.gz DBRXBTAFLBDPNZ-SRZZPIQSSA-N 0 0 358.210 5.907 40 30 FKEBRN COc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1Cl ZINC000409220684 570742385 /nfs/dbraw/zinc/74/23/85/570742385.db2.gz DGPNXXNVDRCHAG-OEAKJJBVSA-N 0 0 367.901 6.559 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccn1 ZINC000409221034 571222678 /nfs/dbraw/zinc/22/26/78/571222678.db2.gz JQRTZBNASFBDMP-CIAFOILYSA-N 0 0 354.251 5.002 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000409222238 263543542 /nfs/dbraw/zinc/54/35/42/263543542.db2.gz WGXVOVZCUNQUDL-QRVIBDJDSA-N 0 0 372.320 7.204 40 30 FKEBRN CCN1C(=O)/C(=C\c2cccc(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409223025 571226468 /nfs/dbraw/zinc/22/64/68/571226468.db2.gz YOPQLHGILSMRTM-FGVWYHQHSA-N 0 0 360.841 5.103 40 30 FKEBRN CCCCc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409223460 571225795 /nfs/dbraw/zinc/22/57/95/571225795.db2.gz ZOGWJWPEWCOHPY-XIEYBQDHSA-N 0 0 359.538 7.239 40 30 FKEBRN Cc1ccc(-c2ccc(C=NNc3ccccc3)o2)cc1Br ZINC000409226919 571227364 /nfs/dbraw/zinc/22/73/64/571227364.db2.gz WILLMZGYTCPJOJ-UDWIEESQSA-N 0 0 355.235 5.464 40 30 FKEBRN CC(C)c1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409228048 571227338 /nfs/dbraw/zinc/22/73/38/571227338.db2.gz SWRMJRIGBOJUGA-YUMHPJSZSA-N 0 0 370.471 6.703 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)c(Br)c1 ZINC000409228563 570742402 /nfs/dbraw/zinc/74/24/02/570742402.db2.gz ZGOJKKWUJZRMNX-SRZZPIQSSA-N 0 0 374.665 6.422 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc(Cl)c3Cl)cc2)cc1 ZINC000409228661 263543881 /nfs/dbraw/zinc/54/38/81/263543881.db2.gz CFQXJRRGDASSDZ-QRVIBDJDSA-N 0 0 372.320 7.204 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409229377 263543656 /nfs/dbraw/zinc/54/36/56/263543656.db2.gz ODRPLIXPMNHPKI-XIEYBQDHSA-N 0 0 374.553 6.743 40 30 FKEBRN Cc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C)c1 ZINC000409229478 570742390 /nfs/dbraw/zinc/74/23/90/570742390.db2.gz PQKJXXPSWIRWRC-CVKSISIWSA-N 0 0 356.444 6.196 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409229806 263543759 /nfs/dbraw/zinc/54/37/59/263543759.db2.gz VGODAWWHWWVFPN-OEAKJJBVSA-N 0 0 351.902 6.859 40 30 FKEBRN C=CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O ZINC000409229836 570742606 /nfs/dbraw/zinc/74/26/06/570742606.db2.gz AGGAXATUHYVEOA-AQTBWJFISA-N 0 0 367.495 5.369 40 30 FKEBRN CCc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1 ZINC000409231023 263544520 /nfs/dbraw/zinc/54/45/20/263544520.db2.gz HRXWQVLGCLECFC-OUUNKBNMSA-N 0 0 354.450 5.012 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(SC)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409231206 570743931 /nfs/dbraw/zinc/74/39/31/570743931.db2.gz ISVWMXMXGNDKQU-HWWZFDGNSA-N 0 0 372.490 5.172 40 30 FKEBRN COc1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1Cl ZINC000409231791 570743942 /nfs/dbraw/zinc/74/39/42/570743942.db2.gz KRQZVUJBHQNZBN-HYARGMPZSA-N 0 0 358.869 5.098 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(C#N)cc3)o2)c(Br)c1 ZINC000409231841 571228121 /nfs/dbraw/zinc/22/81/21/571228121.db2.gz MUNYPCLYDGETER-WSDLNYQXSA-N 0 0 365.230 5.640 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccccc2Cl)S/C1=N/c1ccc(F)cc1 ZINC000409231851 263544910 /nfs/dbraw/zinc/54/49/10/263544910.db2.gz MVTXTVWNYCXQFY-FGVWYHQHSA-N 0 0 360.841 5.103 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 ZINC000409231943 571228410 /nfs/dbraw/zinc/22/84/10/571228410.db2.gz GLDPLFSCBQYUCG-OEAKJJBVSA-N 0 0 351.902 6.859 40 30 FKEBRN Cc1cc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)ccc1F ZINC000409232361 571228564 /nfs/dbraw/zinc/22/85/64/571228564.db2.gz OFVVDYUYCHQVKE-WGARJPEWSA-N 0 0 360.407 6.027 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3cccc4ccccc43)cc2)cc1 ZINC000409232417 571228782 /nfs/dbraw/zinc/22/87/82/571228782.db2.gz HJBBZANHBGUXLE-KOEQRZSOSA-N 0 0 353.490 7.050 40 30 FKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(Cl)c4)ccc32)c1 ZINC000409232494 263544537 /nfs/dbraw/zinc/54/45/37/263544537.db2.gz IRHMPAWCLVVTIZ-QFEZKATASA-N 0 0 362.835 6.233 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(O)cc3)o2)c(Br)c1 ZINC000409232626 570744487 /nfs/dbraw/zinc/74/44/87/570744487.db2.gz RVBYXPZUKDNTFO-RGVLZGJSSA-N 0 0 356.219 5.474 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000409233063 263544163 /nfs/dbraw/zinc/54/41/63/263544163.db2.gz DBZWKDXUTWROOS-QRVIBDJDSA-N 0 0 372.320 7.204 40 30 FKEBRN COC(=O)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409233410 570744594 /nfs/dbraw/zinc/74/45/94/570744594.db2.gz RZTNIIHWQQTJPB-HZHRSRAPSA-N 0 0 361.466 5.683 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc4ccccc4c3)cc2)cc1 ZINC000409233525 263544116 /nfs/dbraw/zinc/54/41/16/263544116.db2.gz SROAGNQOPNHEIF-UQQQWYQISA-N 0 0 353.490 7.050 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3)o2)c(Br)c1 ZINC000409234161 570744531 /nfs/dbraw/zinc/74/45/31/570744531.db2.gz MRAXVMARUCBIJI-NHDPSOOVSA-N 0 0 374.665 6.422 40 30 FKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccccn1 ZINC000409234405 263544602 /nfs/dbraw/zinc/54/46/02/263544602.db2.gz ZVAGYXPLJNUBJD-CIAFOILYSA-N 0 0 354.251 5.002 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3)o2)c(Br)c1 ZINC000409234444 571231541 /nfs/dbraw/zinc/23/15/41/571231541.db2.gz WRJFPKMYQLEIAZ-SRZZPIQSSA-N 0 0 358.210 5.907 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3ccccc3F)o2)c(Br)c1 ZINC000409235247 571231533 /nfs/dbraw/zinc/23/15/33/571231533.db2.gz OLGRCXVJECMMMV-NHDPSOOVSA-N 0 0 358.210 5.907 40 30 FKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccc5c(c4)OCO5)ccc32)c1 ZINC000409235941 570742677 /nfs/dbraw/zinc/74/26/77/570742677.db2.gz QQWWIBFVDQODPM-DHRITJCHSA-N 0 0 372.399 5.308 40 30 FKEBRN CCN1C(=O)/C(=C\c2c(C)cc(C)cc2C)S/C1=N/c1ccc(F)cc1 ZINC000409235972 570742707 /nfs/dbraw/zinc/74/27/07/570742707.db2.gz QXMVSUDATNIZPE-JUAGQRJUSA-N 0 0 368.477 5.375 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1Br ZINC000409236180 263544522 /nfs/dbraw/zinc/54/45/22/263544522.db2.gz DTHVGTKKWORNDD-STZFKDTASA-N 0 0 373.294 5.199 40 30 FKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000409236187 571231503 /nfs/dbraw/zinc/23/15/03/571231503.db2.gz RVXQVWCZZVBNFL-YZSQISJMSA-N 0 0 351.453 5.907 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)s2)S/C1=N/c1ccc(F)cc1 ZINC000409236205 571231540 /nfs/dbraw/zinc/23/15/40/571231540.db2.gz DWPZUOBVAYNSEB-ADWDSYRSSA-N 0 0 366.870 5.165 40 30 FKEBRN CCN(CC)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 ZINC000409236455 263544610 /nfs/dbraw/zinc/54/46/10/263544610.db2.gz GOPUDJUUINESKK-HKOYGPOVSA-N 0 0 365.521 5.282 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000409236667 570743113 /nfs/dbraw/zinc/74/31/13/570743113.db2.gz SXBKERSHFKCBLL-YZSQISJMSA-N 0 0 366.468 5.983 40 30 FKEBRN Cc1ccc(Sc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000409236914 570743046 /nfs/dbraw/zinc/74/30/46/570743046.db2.gz GUYWCHWBDHEOKC-UHFFFAOYSA-N 0 0 356.446 5.609 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3ccccc3O)o2)c(Br)c1 ZINC000409238100 570743101 /nfs/dbraw/zinc/74/31/01/570743101.db2.gz ZAQWYTJAVNGCJF-JAIQZWGSSA-N 0 0 356.219 5.474 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 ZINC000409238131 570743055 /nfs/dbraw/zinc/74/30/55/570743055.db2.gz VWFSKZCSCUPTRA-KHCKMINHSA-N 0 0 350.506 5.950 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 ZINC000409238133 571231535 /nfs/dbraw/zinc/23/15/35/571231535.db2.gz VWFSKZCSCUPTRA-ZDSQJECRSA-N 0 0 350.506 5.950 40 30 FKEBRN CCc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409238283 570743203 /nfs/dbraw/zinc/74/32/03/570743203.db2.gz WRGVUEDYYRZECU-QQXSKIMKSA-N 0 0 356.444 6.142 40 30 FKEBRN Cc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409238516 571231447 /nfs/dbraw/zinc/23/14/47/571231447.db2.gz KURSQPLCXMMBEE-CIAFOILYSA-N 0 0 354.247 6.077 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3cc(C)ccc3C)o2)c(Br)c1 ZINC000409238580 263545476 /nfs/dbraw/zinc/54/54/76/263545476.db2.gz LENUCQRFISAYOX-UUYOSTAYSA-N 0 0 368.274 6.385 40 30 FKEBRN CCOc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409238850 570743475 /nfs/dbraw/zinc/74/34/75/570743475.db2.gz LPCJIVYUVPCLSY-WGOQTCKBSA-N 0 0 372.443 5.978 40 30 FKEBRN CCc1ccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409239113 571231483 /nfs/dbraw/zinc/23/14/83/571231483.db2.gz GKYBRRVVEPGXDA-LPYMAVHISA-N 0 0 368.274 6.331 40 30 FKEBRN CCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409239134 263545593 /nfs/dbraw/zinc/54/55/93/263545593.db2.gz GOLBFCNDAYMCJY-FGVWYHQHSA-N 0 0 360.841 5.103 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409239288 571231547 /nfs/dbraw/zinc/23/15/47/571231547.db2.gz CXFNXSUIGZFMHT-XKZIYDEJSA-N 0 0 363.288 5.743 40 30 FKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4Cl)ccc32)c1 ZINC000409239579 570743464 /nfs/dbraw/zinc/74/34/64/570743464.db2.gz HJNDNZQGOGUYGR-AFUMVMLFSA-N 0 0 362.835 6.233 40 30 FKEBRN COC(=O)c1cccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000409239912 570743472 /nfs/dbraw/zinc/74/34/72/570743472.db2.gz OHEKSTSDWOQTDR-HAHDFKILSA-N 0 0 361.466 5.683 40 30 FKEBRN CC(=O)Nc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409240308 570743565 /nfs/dbraw/zinc/74/35/65/570743565.db2.gz GKXHOHCLLMTQPD-HZHRSRAPSA-N 0 0 360.482 5.855 40 30 FKEBRN O=[N+]([O-])c1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409240413 571231481 /nfs/dbraw/zinc/23/14/81/571231481.db2.gz KQJLSEUEHMHSRW-ZVHZXABRSA-N 0 0 373.387 5.488 40 30 FKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409240569 570743666 /nfs/dbraw/zinc/74/36/66/570743666.db2.gz LGYLIEVJZDDKSD-HLNOYYKJSA-N 0 0 359.538 7.410 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409240572 571231442 /nfs/dbraw/zinc/23/14/42/571231442.db2.gz LGYLIEVJZDDKSD-WZGTUUFSSA-N 0 0 359.538 7.410 40 30 FKEBRN CSc1ccccc1/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409241350 263545348 /nfs/dbraw/zinc/54/53/48/263545348.db2.gz ROWQENPQYZULEX-MYYYXRDXSA-N 0 0 374.484 6.301 40 30 FKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccccn1 ZINC000409241506 570745814 /nfs/dbraw/zinc/74/58/14/570745814.db2.gz XYIUXPKEAOFARF-MTJSOVHGSA-N 0 0 354.251 5.002 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3ccccc3C)o2)c(Br)c1 ZINC000409241537 571231469 /nfs/dbraw/zinc/23/14/69/571231469.db2.gz OFCWRGUJOXYQOV-MTJSOVHGSA-N 0 0 354.247 6.077 40 30 FKEBRN Cc1ccc(C)c(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409241641 570745748 /nfs/dbraw/zinc/74/57/48/570745748.db2.gz KXBJXARHOKFBRZ-CVKSISIWSA-N 0 0 356.444 6.196 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3cccc(O)c3)o2)c(Br)c1 ZINC000409241729 570745760 /nfs/dbraw/zinc/74/57/60/570745760.db2.gz UHOZPGCKHBZILV-JAIQZWGSSA-N 0 0 356.219 5.474 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000409241833 263545587 /nfs/dbraw/zinc/54/55/87/263545587.db2.gz SHMRYPAHPIMMHY-UQQQWYQISA-N 0 0 359.538 7.194 40 30 FKEBRN Cc1cc(/C=N\c2ccc(Br)cc2C)c(C)n1-c1ccccn1 ZINC000409241894 570746219 /nfs/dbraw/zinc/74/62/19/570746219.db2.gz ZFDCUEYPDCUEAD-UUYOSTAYSA-N 0 0 368.278 5.311 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 ZINC000409241937 570746261 /nfs/dbraw/zinc/74/62/61/570746261.db2.gz ZLCVCOHKOCOPFP-OEAKJJBVSA-N 0 0 367.901 6.559 40 30 FKEBRN Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1C ZINC000409242125 263545223 /nfs/dbraw/zinc/54/52/23/263545223.db2.gz MIRHFMRXSXGTFH-YSMPRRRNSA-N 0 0 356.444 6.196 40 30 FKEBRN Cc1cccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 ZINC000409242346 570746229 /nfs/dbraw/zinc/74/62/29/570746229.db2.gz RAMHQHVDVGNMFT-MTJSOVHGSA-N 0 0 354.247 6.077 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1Cl ZINC000409242932 571231437 /nfs/dbraw/zinc/23/14/37/571231437.db2.gz PVEGOVWNRBYUTN-XKZIYDEJSA-N 0 0 363.288 5.743 40 30 FKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccc(Cl)cc4)ccc32)c1 ZINC000409243236 571231544 /nfs/dbraw/zinc/23/15/44/571231544.db2.gz QWPHEFHOXQTETG-AFUMVMLFSA-N 0 0 362.835 6.233 40 30 FKEBRN CC(=O)c1ccc(N=Cc2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409243541 263546721 /nfs/dbraw/zinc/54/67/21/263546721.db2.gz SGOSJUCPHSEQFZ-YSMPRRRNSA-N 0 0 370.427 5.782 40 30 FKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccn1 ZINC000409243557 263546736 /nfs/dbraw/zinc/54/67/36/263546736.db2.gz SLEALGPMFVXZHI-YZSQISJMSA-N 0 0 367.452 6.032 40 30 FKEBRN COc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1 ZINC000409243634 570746333 /nfs/dbraw/zinc/74/63/33/570746333.db2.gz ZEXCMDUYIOYGIV-MTJSOVHGSA-N 0 0 370.246 5.777 40 30 FKEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCCC3)cc2OC)cc1 ZINC000409243784 570746272 /nfs/dbraw/zinc/74/62/72/570746272.db2.gz UDXOOZPYIRYUOW-HKOYGPOVSA-N 0 0 350.506 5.779 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1cccc(Cl)c1Cl ZINC000409244003 263546597 /nfs/dbraw/zinc/54/65/97/263546597.db2.gz WDMSUVARGSYQFU-XKZIYDEJSA-N 0 0 363.288 5.743 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(F)c(Cl)c3)cc2)cc1 ZINC000409244208 570746639 /nfs/dbraw/zinc/74/66/39/570746639.db2.gz ZOCKXEHKOVHPAO-YDZHTSKRSA-N 0 0 355.865 6.689 40 30 FKEBRN COc1cccc(/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1 ZINC000409244421 570746743 /nfs/dbraw/zinc/74/67/43/570746743.db2.gz CKXCUPWKIYDWDI-CIAFOILYSA-N 0 0 370.246 5.777 40 30 FKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(F)cc4F)ccc32)c1 ZINC000409244437 263546208 /nfs/dbraw/zinc/54/62/08/263546208.db2.gz CQQAWTUFHYKKLZ-ZMFRSBBQSA-N 0 0 364.370 5.858 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 ZINC000409244475 263546730 /nfs/dbraw/zinc/54/67/30/263546730.db2.gz DETSUPKNLIWGFK-HMAPJEAMSA-N 0 0 362.454 6.113 40 30 FKEBRN COc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cn1 ZINC000409244565 570744949 /nfs/dbraw/zinc/74/49/49/570744949.db2.gz FONSXIRGCJMPTR-JAIQZWGSSA-N 0 0 371.234 5.172 40 30 FKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCCC2)cc1OC ZINC000409244694 570744938 /nfs/dbraw/zinc/74/49/38/570744938.db2.gz HIMIUCFAXSIIRZ-HYARGMPZSA-N 0 0 358.869 5.098 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Br)c1 ZINC000409244847 263546664 /nfs/dbraw/zinc/54/66/64/263546664.db2.gz JMQCNEQHOKALAY-KGENOOAVSA-N 0 0 373.294 5.199 40 30 FKEBRN COc1cccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409245036 570745050 /nfs/dbraw/zinc/74/50/50/570745050.db2.gz MKQRXMDJILSPEN-MYYYXRDXSA-N 0 0 358.416 5.588 40 30 FKEBRN N#Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409245112 571231714 /nfs/dbraw/zinc/23/17/14/571231714.db2.gz NOPHAYWCGMLECD-YSMPRRRNSA-N 0 0 353.400 5.451 40 30 FKEBRN O=[N+]([O-])c1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409245421 570744910 /nfs/dbraw/zinc/74/49/10/570744910.db2.gz SOIWSNFPFRSVDD-ZVHZXABRSA-N 0 0 373.387 5.488 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(C)c(C)c3)o2)c(Br)c1 ZINC000409245786 571231711 /nfs/dbraw/zinc/23/17/11/571231711.db2.gz ZCMUHYXTFQTLJG-WSDLNYQXSA-N 0 0 368.274 6.385 40 30 FKEBRN Cc1ccc(Sc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409246343 570745485 /nfs/dbraw/zinc/74/54/85/570745485.db2.gz BIBOPHLHZAPZKC-KGENOOAVSA-N 0 0 363.442 5.500 40 30 FKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccccn1 ZINC000409247148 263546159 /nfs/dbraw/zinc/54/61/59/263546159.db2.gz GOMCPXOMYGFMPO-UUYOSTAYSA-N 0 0 368.278 5.311 40 30 FKEBRN Cc1ccc(/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c(C)c1 ZINC000409247321 263546383 /nfs/dbraw/zinc/54/63/83/263546383.db2.gz MQTJROXXROEUIU-UUYOSTAYSA-N 0 0 368.274 6.385 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N\c3ccccc3Cl)o2)c(Br)c1 ZINC000409247808 571231734 /nfs/dbraw/zinc/23/17/34/571231734.db2.gz OAAAXFNTDUQMAH-NHDPSOOVSA-N 0 0 374.665 6.422 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3O)cc2)cc1 ZINC000409249751 570745743 /nfs/dbraw/zinc/74/57/43/570745743.db2.gz OIRIIYLHKIPZCM-XKZIYDEJSA-N 0 0 353.874 6.256 40 30 FKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(F)c(C)c3)o2)c(Br)c1 ZINC000409249757 263546994 /nfs/dbraw/zinc/54/69/94/263546994.db2.gz OJLRBIDSIODFKX-SSDVNMTOSA-N 0 0 372.237 6.216 40 30 FKEBRN Cc1c(C=NNc2ccccc2)c2ccccc2n1Cc1ccccc1Cl ZINC000409250391 571231731 /nfs/dbraw/zinc/23/17/31/571231731.db2.gz KUXNNRMTNBSGRV-MFKUBSTISA-N 0 0 373.887 6.097 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409250990 263547076 /nfs/dbraw/zinc/54/70/76/263547076.db2.gz ZFUGVZLPVJPDTA-LGUFXXKBSA-N 0 0 370.496 6.103 40 30 FKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2)cc1 ZINC000409251182 263547001 /nfs/dbraw/zinc/54/70/01/263547001.db2.gz ZYYWYVFPWAZIOU-HYARGMPZSA-N 0 0 362.454 6.113 40 30 FKEBRN CN(C)c1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409251266 570746717 /nfs/dbraw/zinc/74/67/17/570746717.db2.gz UJSDEUZQQWBVJH-WGOQTCKBSA-N 0 0 371.459 5.645 40 30 FKEBRN Cc1ccc(-c2ccc(C=NNc3ccccc3)o2)c(Br)c1 ZINC000409251315 570746559 /nfs/dbraw/zinc/74/65/59/570746559.db2.gz UWYKTCCNUFQRBX-UDWIEESQSA-N 0 0 355.235 5.464 40 30 FKEBRN COc1ccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409251421 571231738 /nfs/dbraw/zinc/23/17/38/571231738.db2.gz QGKZHMPIXUIZHO-MFKUBSTISA-N 0 0 358.416 5.588 40 30 FKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1 ZINC000409253218 571231634 /nfs/dbraw/zinc/23/16/34/571231634.db2.gz ZCHGUJKCMFHSTG-ULJHMMPZSA-N 0 0 350.506 5.734 40 30 FKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccccc1Cl ZINC000409258115 571231666 /nfs/dbraw/zinc/23/16/66/571231666.db2.gz WNCIAEWQSKFKAY-UHFFFAOYSA-N 0 0 366.933 5.316 40 30 FKEBRN CC1CCN(c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)CC1 ZINC000409271113 570747676 /nfs/dbraw/zinc/74/76/76/570747676.db2.gz JEBLTOUUPSYFKG-LPYMAVHISA-N 0 0 353.491 5.078 40 30 FKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccc(Cl)s1 ZINC000409299049 570749266 /nfs/dbraw/zinc/74/92/66/570749266.db2.gz QPCMBRGZYVXAMD-UHFFFAOYSA-N 0 0 371.893 5.041 40 30 FKEBRN CC(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409299860 263548392 /nfs/dbraw/zinc/54/83/92/263548392.db2.gz SJWQVUMXZHSKDI-UHFFFAOYSA-N 0 0 373.500 5.450 40 30 FKEBRN C=CCOc1c(Cl)cc(/C=C2\Sc3ccccc3C2=O)cc1OCC ZINC000409300759 263548319 /nfs/dbraw/zinc/54/83/19/263548319.db2.gz AVLHLKNWZMUMFY-PDGQHHTCSA-N 0 0 372.873 5.633 40 30 FKEBRN Cc1cc(C)c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)c1 ZINC000409308315 571233614 /nfs/dbraw/zinc/23/36/14/571233614.db2.gz YCAFPPAVVPWGEM-UHFFFAOYSA-N 0 0 373.500 5.252 40 30 FKEBRN Cc1cccc(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)c1 ZINC000409311109 263547896 /nfs/dbraw/zinc/54/78/96/263547896.db2.gz DKIRSRKEZWQHTM-HMAPJEAMSA-N 0 0 358.462 5.904 40 30 FKEBRN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000409311986 571234067 /nfs/dbraw/zinc/23/40/67/571234067.db2.gz IMSNTQKUUYOYCB-BKUYFWCQSA-N 0 0 362.425 5.734 40 30 FKEBRN N#Cc1ccccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 ZINC000409312429 571234082 /nfs/dbraw/zinc/23/40/82/571234082.db2.gz KWPRFATVYKSEHP-UNOMPAQXSA-N 0 0 372.405 5.059 40 30 FKEBRN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000409316644 263547948 /nfs/dbraw/zinc/54/79/48/263547948.db2.gz ZEDKBKCCIMHKLM-BKUYFWCQSA-N 0 0 362.425 5.734 40 30 FKEBRN CCCCCCCCNC(=O)Nc1cc2cccnc2c2ncccc12 ZINC000409317471 570750060 /nfs/dbraw/zinc/75/00/60/570750060.db2.gz UCDMXIDZGTXONJ-UHFFFAOYSA-N 0 0 350.466 5.265 40 30 FKEBRN C=CCOc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000409329456 571235000 /nfs/dbraw/zinc/23/50/00/571235000.db2.gz FSXXQKLZMUXNMY-ATVHPVEESA-N 0 0 371.845 5.146 40 30 FKEBRN C=CCN(C(=S)Nc1cc2ccncc2c2ncccc12)c1ccccc1 ZINC000409333128 570750350 /nfs/dbraw/zinc/75/03/50/570750350.db2.gz HXUVXINUIMALHI-UHFFFAOYSA-N 0 0 370.481 5.172 40 30 FKEBRN CCCCOc1ccc2ccccc2c1/C=C1/Sc2ccccc2C1=O ZINC000409335317 570751704 /nfs/dbraw/zinc/75/17/04/570751704.db2.gz VEHBAWNAVSPHFK-PXLXIMEGSA-N 0 0 360.478 6.348 40 30 FKEBRN O=C1c2ccccc2S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409337070 571235443 /nfs/dbraw/zinc/23/54/43/571235443.db2.gz WKMKLSUBSMAOSI-FYJGNVAPSA-N 0 0 362.425 5.734 40 30 FKEBRN C=CCc1cc(/C=C2\Sc3ccccc3C2=O)cc(OCC)c1OC ZINC000409337238 263549328 /nfs/dbraw/zinc/54/93/28/263549328.db2.gz XKZGWRVZFCBJHT-UYRXBGFRSA-N 0 0 352.455 5.152 40 30 FKEBRN CCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1Br ZINC000409341463 571236386 /nfs/dbraw/zinc/23/63/86/571236386.db2.gz BBDFGFAKECGTJU-MHWRWJLKSA-N 0 0 361.260 5.177 40 30 FKEBRN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 ZINC000409343963 263550192 /nfs/dbraw/zinc/55/01/92/263550192.db2.gz IVIXODMOKADNDL-ONEGZZNKSA-N 0 0 365.298 5.594 40 30 FKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(N=Nc2ccc(C)cc2)cc1 ZINC000409345481 571236789 /nfs/dbraw/zinc/23/67/89/571236789.db2.gz JBZAGXGOXWQAHS-PEJXKHDASA-N 0 0 359.429 6.510 40 30 FKEBRN CCN(CC)c1ccc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)cc1 ZINC000409346014 571236962 /nfs/dbraw/zinc/23/69/62/571236962.db2.gz MDITVDYNGVNIQT-IMOQJAIBSA-N 0 0 353.384 5.044 40 30 FKEBRN C=CCN1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc32)SC1=S ZINC000409348689 570752178 /nfs/dbraw/zinc/75/21/78/570752178.db2.gz OMOGJCIOBVKELR-PDGQHHTCSA-N 0 0 369.511 5.014 40 30 FKEBRN COc1cccc(Oc2ccc(NC(C)=CC(=O)c3ccc(C)o3)cc2)c1 ZINC000409349216 571237001 /nfs/dbraw/zinc/23/70/01/571237001.db2.gz SAEGOQXCAYSVPS-FYWRMAATSA-N 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/nfs/dbraw/zinc/55/09/61/263550961.db2.gz AYXVVZJLMXMMIB-SLAFCHKUSA-N 0 0 367.411 5.434 40 30 FKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1cccs1 ZINC000409354353 570752659 /nfs/dbraw/zinc/75/26/59/570752659.db2.gz CWDWYESJLNDCAX-VAWYXSNFSA-N 0 0 355.846 6.002 40 30 FKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2cccs2)cc1 ZINC000409356032 263551370 /nfs/dbraw/zinc/55/13/70/263551370.db2.gz GFBOSNGAKGFZMT-OUKQBFOZSA-N 0 0 351.427 5.358 40 30 FKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3cccs3)cc2)cc1 ZINC000409358724 570753387 /nfs/dbraw/zinc/75/33/87/570753387.db2.gz LKIMISRLZGBEKU-OUKQBFOZSA-N 0 0 351.427 5.358 40 30 FKEBRN COc1ccc(Oc2ccc(NC(C)=CC(=O)c3ccc(C)o3)cc2)cc1 ZINC000409358794 570753503 /nfs/dbraw/zinc/75/35/03/570753503.db2.gz MBAPYODZFICZER-CCEZHUSRSA-N 0 0 363.413 5.588 40 30 FKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3cccs3)cc2)c1 ZINC000409359508 571238062 /nfs/dbraw/zinc/23/80/62/571238062.db2.gz OQRXFIDZXLJTDK-VAWYXSNFSA-N 0 0 351.427 5.358 40 30 FKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Oc2ccccc2Cl)cc1 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/nfs/dbraw/zinc/55/21/67/263552167.db2.gz GAQIDQKSLNOGKB-RCCKNPSSSA-N 0 0 363.460 5.820 40 30 FKEBRN O=C1c2ccccc2C/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000409372651 571238184 /nfs/dbraw/zinc/23/81/84/571238184.db2.gz OPVFSMSHNWCBNF-XDHOZWIPSA-N 0 0 360.840 5.741 40 30 FKEBRN CCCN1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)SC1=Nc1ccccc1 ZINC000409373174 263552114 /nfs/dbraw/zinc/55/21/14/263552114.db2.gz NZTOGGUQANTZDW-AHDBMNBVSA-N 0 0 366.486 5.023 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 ZINC000409374890 571238299 /nfs/dbraw/zinc/23/82/99/571238299.db2.gz AZZYBYLXMVLPJN-DTVDJLOLSA-N 0 0 373.924 6.619 40 30 FKEBRN CCCCc1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 ZINC000409374891 570754030 /nfs/dbraw/zinc/75/40/30/570754030.db2.gz AZZYBYLXMVLPJN-WTJYETQFSA-N 0 0 373.924 6.619 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C(C)(C)C)cc2)cc1OC ZINC000409375229 263552427 /nfs/dbraw/zinc/55/24/27/263552427.db2.gz HNBLZVVEIYTDBV-CPISYKEBSA-N 0 0 373.924 6.574 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C(C)(C)C)cc2)cc1OC ZINC000409375230 570754571 /nfs/dbraw/zinc/75/45/71/570754571.db2.gz HNBLZVVEIYTDBV-YNNOXIHVSA-N 0 0 373.924 6.574 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2SC)cc1OC ZINC000409375488 570753349 /nfs/dbraw/zinc/75/33/49/570753349.db2.gz LNBUWXNUZNOVRB-LNOXHEFASA-N 0 0 363.910 5.998 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2SC)cc1OC ZINC000409375489 263552121 /nfs/dbraw/zinc/55/21/21/263552121.db2.gz LNBUWXNUZNOVRB-XMOVILSBSA-N 0 0 363.910 5.998 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2F)cc1OC ZINC000409375703 571238403 /nfs/dbraw/zinc/23/84/03/571238403.db2.gz ODKCUQZZMSLNII-WMJRALALSA-N 0 0 353.796 5.555 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2F)cc1OC ZINC000409375704 570753431 /nfs/dbraw/zinc/75/34/31/570753431.db2.gz ODKCUQZZMSLNII-ZOCVZFIWSA-N 0 0 353.796 5.555 40 30 FKEBRN N#Cc1c(/N=C/c2ccc3c(c2)OCO3)oc(-c2ccco2)c1-c1ccco1 ZINC000409375730 571238400 /nfs/dbraw/zinc/23/84/00/571238400.db2.gz OMPOJQNHJHAUAT-FOKLQQMPSA-N 0 0 372.336 5.151 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc1OC ZINC000409375999 571238404 /nfs/dbraw/zinc/23/84/04/571238404.db2.gz RXPGJLKBXABBPW-FEEMDCCFSA-N 0 0 373.924 6.790 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc1OC ZINC000409376000 263552239 /nfs/dbraw/zinc/55/22/39/263552239.db2.gz RXPGJLKBXABBPW-FNYWAWLUSA-N 0 0 373.924 6.790 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc([C@H](C)CC)cc2)cc1OC ZINC000409376001 263552198 /nfs/dbraw/zinc/55/21/98/263552198.db2.gz RXPGJLKBXABBPW-HVGZKEQUSA-N 0 0 373.924 6.790 40 30 FKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 ZINC000409376002 263553969 /nfs/dbraw/zinc/55/39/69/263553969.db2.gz RXPGJLKBXABBPW-JBMOEGQDSA-N 0 0 373.924 6.790 40 30 FKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccccc3)c2)cc1C ZINC000409376303 263554040 /nfs/dbraw/zinc/55/40/40/263554040.db2.gz WXPNXWVOFAUCRV-BUVRLJJBSA-N 0 0 358.441 5.072 40 30 FKEBRN Cc1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409376762 571238389 /nfs/dbraw/zinc/23/83/89/571238389.db2.gz AWSZOLMDHSINDU-MFKUBSTISA-N 0 0 372.468 5.380 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)C)cc2)cc1OC ZINC000409377071 570755172 /nfs/dbraw/zinc/75/51/72/570755172.db2.gz GBARQPREVOIZNO-LJGKHRNASA-N 0 0 359.897 6.400 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C(C)C)cc2)cc1OC ZINC000409377072 571238617 /nfs/dbraw/zinc/23/86/17/571238617.db2.gz GBARQPREVOIZNO-LUILSVGHSA-N 0 0 359.897 6.400 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(C=Nc2ccc(C(C)=O)cc2)cc1OC ZINC000409378570 570755349 /nfs/dbraw/zinc/75/53/49/570755349.db2.gz QFVUABCLBBIVEE-AEOXGOBCSA-N 0 0 359.853 5.479 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(C=Nc2ccc(C(C)=O)cc2)cc1OC ZINC000409378571 263553293 /nfs/dbraw/zinc/55/32/93/263553293.db2.gz QFVUABCLBBIVEE-UMYHVIPVSA-N 0 0 359.853 5.479 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc3ccccc32)cc1OC ZINC000409379143 571238623 /nfs/dbraw/zinc/23/86/23/571238623.db2.gz 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ZINC000409380028 263553708 /nfs/dbraw/zinc/55/37/08/263553708.db2.gz GCEFZRLTHSBBKJ-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc3c(c2)OCO3)cc1OC ZINC000409380381 263553776 /nfs/dbraw/zinc/55/37/76/263553776.db2.gz MCZLQUCBZLDHNL-INEXWVMZSA-N 0 0 361.825 5.005 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc3c(c2)OCO3)cc1OC ZINC000409380382 263553429 /nfs/dbraw/zinc/55/34/29/263553429.db2.gz MCZLQUCBZLDHNL-RRSAXVHRSA-N 0 0 361.825 5.005 40 30 FKEBRN CCOc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000409381468 570754463 /nfs/dbraw/zinc/75/44/63/570754463.db2.gz HCNCDOVLTGAIOW-ZVHZXABRSA-N 0 0 372.380 5.821 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409381899 570754448 /nfs/dbraw/zinc/75/44/48/570754448.db2.gz ORMXHTYPHQUDDA-JHAVZTMOSA-N 0 0 366.288 6.238 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409381900 263553724 /nfs/dbraw/zinc/55/37/24/263553724.db2.gz ORMXHTYPHQUDDA-VTGBELTLSA-N 0 0 366.288 6.238 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc3ccccc3c2)cc1OC ZINC000409381989 571238963 /nfs/dbraw/zinc/23/89/63/571238963.db2.gz JOUJIDFDIFUBAN-CPISYKEBSA-N 0 0 367.876 6.430 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc3ccccc3c2)cc1OC ZINC000409381990 263553892 /nfs/dbraw/zinc/55/38/92/263553892.db2.gz JOUJIDFDIFUBAN-YNNOXIHVSA-N 0 0 367.876 6.430 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Cl)cc1OC ZINC000409381992 571239093 /nfs/dbraw/zinc/23/90/93/571239093.db2.gz JPBCYOBRUDCBTL-UORWWSPDSA-N 0 0 352.261 5.930 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2Cl)cc1OC ZINC000409381993 570754445 /nfs/dbraw/zinc/75/44/45/570754445.db2.gz JPBCYOBRUDCBTL-WLQYJRLHSA-N 0 0 352.261 5.930 40 30 FKEBRN COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1O ZINC000409382232 263553876 /nfs/dbraw/zinc/55/38/76/263553876.db2.gz ZJHGAOXLIZYSLE-FSJBWODESA-N 0 0 374.352 5.136 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000409382495 570754531 /nfs/dbraw/zinc/75/45/31/570754531.db2.gz NPWFGDJRZCLWJV-OEKFUPINSA-N 0 0 362.813 5.185 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000409382496 263553733 /nfs/dbraw/zinc/55/37/33/263553733.db2.gz NPWFGDJRZCLWJV-WXYNYTDUSA-N 0 0 362.813 5.185 40 30 FKEBRN CCOc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000409382812 570754629 /nfs/dbraw/zinc/75/46/29/570754629.db2.gz RFKGROBKGNYHNK-ZVHZXABRSA-N 0 0 372.380 5.821 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(Cl)c(O[C@H](C)CC)c(OC)c1 ZINC000409382828 571239016 /nfs/dbraw/zinc/23/90/16/571239016.db2.gz RMMVDSFOBOTGSG-BXSODOALSA-N 0 0 361.869 5.675 40 30 FKEBRN CCOc1ccccc1/N=C\c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1 ZINC000409382829 571239120 /nfs/dbraw/zinc/23/91/20/571239120.db2.gz RMMVDSFOBOTGSG-CRRPLPBISA-N 0 0 361.869 5.675 40 30 FKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccccc3C)c2)cc1C ZINC000409382977 263553964 /nfs/dbraw/zinc/55/39/64/263553964.db2.gz SKOCCDKTWSOUSP-MYYYXRDXSA-N 0 0 372.468 5.380 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2O)cc1OC ZINC000409382988 263553523 /nfs/dbraw/zinc/55/35/23/263553523.db2.gz PWVMRBFSDQTJRZ-GVHCZZSVSA-N 0 0 368.260 5.636 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(Cl)cc2O)cc1OC ZINC000409382990 571238800 /nfs/dbraw/zinc/23/88/00/571238800.db2.gz PWVMRBFSDQTJRZ-VARIZKOUSA-N 0 0 368.260 5.636 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409383530 570754603 /nfs/dbraw/zinc/75/46/03/570754603.db2.gz WJSPYJUWWBCJAG-XIJPWPHISA-N 0 0 366.288 6.238 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409383531 571238720 /nfs/dbraw/zinc/23/87/20/571238720.db2.gz WJSPYJUWWBCJAG-YSRRJJCPSA-N 0 0 366.288 6.238 40 30 FKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)cc1OC ZINC000409383680 571239245 /nfs/dbraw/zinc/23/92/45/571239245.db2.gz ZPRIAXRAQLSGFO-WMJRALALSA-N 0 0 370.251 6.069 40 30 FKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(Cl)c2)cc1OC ZINC000409383681 571239303 /nfs/dbraw/zinc/23/93/03/571239303.db2.gz 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374.868 5.235 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000409390600 570755895 /nfs/dbraw/zinc/75/58/95/570755895.db2.gz FPYHUFARTVVMNO-UHFFFAOYSA-N 0 0 374.823 5.382 40 30 FKEBRN Cc1ccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000409390815 571241388 /nfs/dbraw/zinc/24/13/88/571241388.db2.gz FTCYVFBMHKDYLE-UHFFFAOYSA-N 0 0 354.405 5.037 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000409391575 571241656 /nfs/dbraw/zinc/24/16/56/571241656.db2.gz JWAYRGSCKQHEDH-UHFFFAOYSA-N 0 0 369.203 5.716 40 30 FKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(C)cc3)c3ccccc32)o1 ZINC000409391661 571241654 /nfs/dbraw/zinc/24/16/54/571241654.db2.gz JFABIQIBBBXDLI-ZMOGYAJESA-N 0 0 372.424 5.128 40 30 FKEBRN Cc1ccc(COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000409392072 570755942 /nfs/dbraw/zinc/75/59/42/570755942.db2.gz NSMOJAAQGPWKNR-UHFFFAOYSA-N 0 0 354.405 5.037 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1cccc(OCc2ccccc2Cl)c1 ZINC000409392214 571242394 /nfs/dbraw/zinc/24/23/94/571242394.db2.gz OAXHVQWXKPXDBF-UHFFFAOYSA-N 0 0 374.823 5.382 40 30 FKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3C)c3ccccc32)o1 ZINC000409392412 570756069 /nfs/dbraw/zinc/75/60/69/570756069.db2.gz MICQLZGFXYCIJW-CFRMEGHHSA-N 0 0 372.424 5.128 40 30 FKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(C)c3)c3ccccc32)o1 ZINC000409392701 571242337 /nfs/dbraw/zinc/24/23/37/571242337.db2.gz NFAXKWYWUFGYIB-CFRMEGHHSA-N 0 0 372.424 5.128 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409392964 263555635 /nfs/dbraw/zinc/55/56/35/263555635.db2.gz UMSLLTDHHFUHQU-UHFFFAOYSA-N 0 0 368.310 5.428 40 30 FKEBRN O=C1c2ccccc2C(=O)C1=Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409393642 571242327 /nfs/dbraw/zinc/24/23/27/571242327.db2.gz YQRYKGGLUDRMDD-UHFFFAOYSA-N 0 0 374.823 5.382 40 30 FKEBRN CC(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409406882 263556809 /nfs/dbraw/zinc/55/68/09/263556809.db2.gz RKDQRNDLBHHUQD-UHFFFAOYSA-N 0 0 367.452 5.069 40 30 FKEBRN CCCCCCCCCCCCCCCCSc1n[n-]c(=S)s1 ZINC000521395853 571110769 /nfs/dbraw/zinc/11/07/69/571110769.db2.gz PVDFOZZREMZKAU-GOSISDBHSA-N 0 0 374.685 7.968 40 30 FKEBRN CCCCCCCCCCCCCCCCSc1n[n-]c(=S)s1 ZINC000521395854 571110730 /nfs/dbraw/zinc/11/07/30/571110730.db2.gz PVDFOZZREMZKAU-SFHVURJKSA-N 0 0 374.685 7.968 40 30 FKEBRN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]4CC(C)=C(C(C)=O)[C@]4(C)CC[C@H]32)C1 ZINC000584577529 571151133 /nfs/dbraw/zinc/15/11/33/571151133.db2.gz NELMHAIFXJZDST-SUXPABQQSA-N 0 0 370.533 5.396 40 30 FKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000584905956 571156704 /nfs/dbraw/zinc/15/67/04/571156704.db2.gz NJAUZLRHXDPNLC-UHFFFAOYSA-N 0 0 360.404 5.654 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1cccc(C)c1C ZINC000584905962 571156687 /nfs/dbraw/zinc/15/66/87/571156687.db2.gz VVDPELJRYRZYGT-UHFFFAOYSA-N 0 0 354.906 5.905 40 30 FKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(-c2ccccc2)cc1 ZINC000584906140 571100579 /nfs/dbraw/zinc/10/05/79/571100579.db2.gz BDVMMIHPPMTFPS-UHFFFAOYSA-N 0 0 368.505 6.302 40 30 FKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1Cl ZINC000584906149 571100626 /nfs/dbraw/zinc/10/06/26/571100626.db2.gz QFDADRMACCWFJZ-UHFFFAOYSA-N 0 0 361.297 5.942 40 30 FKEBRN CC(C)(C)[C@H]1C/C(=C\c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 ZINC000585178785 571157122 /nfs/dbraw/zinc/15/71/22/571157122.db2.gz IZTXEWAUTXHSMX-ICUWXCOMSA-N 0 0 366.451 6.457 40 30 FKEBRN CC(C)(C)[C@@H]1C/C(=C\c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 ZINC000585178786 571157394 /nfs/dbraw/zinc/15/73/94/571157394.db2.gz IZTXEWAUTXHSMX-UWZSZBQTSA-N 0 0 366.451 6.457 40 30 FKEBRN Cc1ccc(NCC2(CC#N)CC2)cc1Oc1ncccc1Br ZINC000594707158 571132618 /nfs/dbraw/zinc/13/26/18/571132618.db2.gz KSUDQBMBCSFZSH-UHFFFAOYSA-N 0 0 372.266 5.051 40 30 FKEBRN CCCCCCCCCCCCCCCCCCNc1ccnc(=O)[nH]1 ZINC000604940594 571146283 /nfs/dbraw/zinc/14/62/83/571146283.db2.gz DIBZJSMEMQEOPU-UHFFFAOYSA-N 0 0 363.590 6.278 40 30 FKEBRN