smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002298211 817382879 /nfs/dbraw/zinc/38/28/79/817382879.db2.gz RMSJCLRLKWRBNI-UHFFFAOYSA-N 0 0 399.429 4.171 50 30 GIEARN C=CCOC(=O)COc1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1 ZINC000002319136 817383981 /nfs/dbraw/zinc/38/39/81/817383981.db2.gz DXQSOQVLXNNFNR-UHFFFAOYSA-N 0 0 380.396 4.385 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)n2CC=C)c1C ZINC000002621243 817392979 /nfs/dbraw/zinc/39/29/79/817392979.db2.gz OFONHUPNOTUSNG-UHFFFAOYSA-N 0 0 393.512 4.162 50 30 GIEARN CCCOC(=O)CSc1nc2c(c(-c3ccc(OC)cc3)c1C#N)CCC2 ZINC000002638933 817395306 /nfs/dbraw/zinc/39/53/06/817395306.db2.gz ILTBNMUVLSCVFR-UHFFFAOYSA-N 0 0 382.485 4.163 50 30 GIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1C(F)(F)F)CCC2 ZINC000002998834 817410544 /nfs/dbraw/zinc/41/05/44/817410544.db2.gz OAVQCUBKXHZLEO-UHFFFAOYSA-N 0 0 377.391 4.192 50 30 GIEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2cccc(C(F)(F)F)c2)c1Cl ZINC000003041193 817413403 /nfs/dbraw/zinc/41/34/03/817413403.db2.gz FDBAVVCBTMYEBF-GEVRCRHISA-N 0 0 399.678 4.302 50 30 GIEARN N#Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000003245889 817427620 /nfs/dbraw/zinc/42/76/20/817427620.db2.gz UIMDEXUXNRQUOI-UHFFFAOYSA-N 0 0 383.618 4.314 50 30 GIEARN N#Cc1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000003378558 817444633 /nfs/dbraw/zinc/44/46/33/817444633.db2.gz SWCSVECSPQELLU-UHFFFAOYSA-N 0 0 396.402 4.349 50 30 GIEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC000004033585 817497810 /nfs/dbraw/zinc/49/78/10/817497810.db2.gz JJEPYUQVXQSZKZ-CQSZACIVSA-N 0 0 381.863 4.405 50 30 GIEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000004084453 817501659 /nfs/dbraw/zinc/50/16/59/817501659.db2.gz YAQZADIVHNJNMJ-GHOUAXAESA-N 0 0 377.396 4.071 50 30 GIEARN CC(C)N1CCc2c(C#N)c(NC(=O)c3nc4ccccc4s3)sc2C1 ZINC000004086995 817502282 /nfs/dbraw/zinc/50/22/82/817502282.db2.gz APPWJMMAKJKMEN-UHFFFAOYSA-N 0 0 382.514 4.248 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004150310 817506722 /nfs/dbraw/zinc/50/67/22/817506722.db2.gz BFQWNIUQIKDHKC-INIZCTEOSA-N 0 0 397.500 4.150 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4ccc(O)cc4)nn3[C@H](c3ccccc3Cl)C12 ZINC000004279851 817516031 /nfs/dbraw/zinc/51/60/31/817516031.db2.gz YUVGAGBCVHWDID-LJQANCHMSA-N 0 0 392.846 4.326 50 30 GIEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000004280361 817516561 /nfs/dbraw/zinc/51/65/61/817516561.db2.gz XWTXFRHUZAHAHM-UHFFFAOYSA-N 0 0 389.864 4.040 50 30 GIEARN CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC ZINC000006613075 817710905 /nfs/dbraw/zinc/71/09/05/817710905.db2.gz RMFICKUZFIFVBU-RUDMXATFSA-N 0 0 377.234 4.458 50 30 GIEARN O=C(/C=C/c1cc(Br)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000007586480 817874814 /nfs/dbraw/zinc/87/48/14/817874814.db2.gz WQOAWNJIBVPJEQ-DUXPYHPUSA-N 0 0 396.281 4.382 50 30 GIEARN COc1ccc(-n2c(SC[C@H](C)C#N)nnc2-c2cccc(OC)c2)cc1 ZINC000007988723 817976935 /nfs/dbraw/zinc/97/69/35/817976935.db2.gz BAHOELMCLKEGHN-CQSZACIVSA-N 0 0 380.473 4.203 50 30 GIEARN CCc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 ZINC000008058002 817990330 /nfs/dbraw/zinc/99/03/30/817990330.db2.gz HVUUNNULGAHNEL-FQEVSTJZSA-N 0 0 382.510 4.250 50 30 GIEARN CCOc1c(Br)cc(/C=C2\Oc3cc(O)ccc3C2=O)cc1OC ZINC000012769803 818181004 /nfs/dbraw/zinc/18/10/04/818181004.db2.gz MJSGWTGZSYWYQT-CHHVJCJISA-N 0 0 391.217 4.178 50 30 GIEARN COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1OC ZINC000012862500 818190534 /nfs/dbraw/zinc/19/05/34/818190534.db2.gz FTKVTUVEKYCHCJ-ODLFYWEKSA-N 0 0 392.363 4.132 50 30 GIEARN N#Cc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000012981167 818199132 /nfs/dbraw/zinc/19/91/32/818199132.db2.gz LAZCNWMFCQZZCR-UHFFFAOYSA-N 0 0 388.452 4.061 50 30 GIEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COCC(F)(F)F ZINC000020477618 818622959 /nfs/dbraw/zinc/62/29/59/818622959.db2.gz SYQHYZSWHICRRC-UHFFFAOYSA-N 0 0 391.393 4.169 50 30 GIEARN N#Cc1c2c(c(N3CCOCC3)nc1SCc1ccc(F)cc1)CCCC2 ZINC000020573687 818625847 /nfs/dbraw/zinc/62/58/47/818625847.db2.gz DZXOXKFIFCQSEF-UHFFFAOYSA-N 0 0 383.492 4.100 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 ZINC000039750381 821121768 /nfs/dbraw/zinc/12/17/68/821121768.db2.gz YVLMKGXMTKNRQQ-UHFFFAOYSA-N 0 0 391.456 4.003 50 30 GIEARN CC(C)CC(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1C#N ZINC000040052203 821128651 /nfs/dbraw/zinc/12/86/51/821128651.db2.gz MQGWBLVQTZFBDX-UHFFFAOYSA-N 0 0 395.528 4.206 50 30 GIEARN COc1ccccc1CN(Cc1cn2ccccc2c1C#N)C[C@H]1CCCO1 ZINC000040105835 821139026 /nfs/dbraw/zinc/13/90/26/821139026.db2.gz UYJUIDHUTPTSKB-HXUWFJFHSA-N 0 0 375.472 4.001 50 30 GIEARN C[C@@H](c1cccc(C(F)(F)F)c1)N(CC(=O)NC1(C#N)CCCC1)C1CC1 ZINC000040155722 821151883 /nfs/dbraw/zinc/15/18/83/821151883.db2.gz HWRSAFQHKLZDJP-AWEZNQCLSA-N 0 0 379.426 4.183 50 30 GIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1OC ZINC000040266863 821155192 /nfs/dbraw/zinc/15/51/92/821155192.db2.gz ADNNEUMPEKLCSN-QGZVFWFLSA-N 0 0 391.402 4.156 50 30 GIEARN N=c1n(N=Cc2ccccc2)cc(-c2ccccc2)n1CC(=O)c1ccccc1 ZINC000000711907 230818586 /nfs/dbraw/zinc/81/85/86/230818586.db2.gz QRWBBYGVSMOSNR-LZKMZOPCSA-N 0 0 380.451 4.201 50 30 GIEARN CCc1ccc(/C=N/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)nc1 ZINC000261492293 529588955 /nfs/dbraw/zinc/58/89/55/529588955.db2.gz RLISLIJBFDQWPQ-HZHRSRAPSA-N 0 0 380.469 4.471 50 30 GIEARN C=CCN(C(=O)c1cncc(Br)c1)c1nc2c(s1)CCCC2 ZINC000023653631 203782219 /nfs/dbraw/zinc/78/22/19/203782219.db2.gz LQSTZTOQLNKMPN-UHFFFAOYSA-N 0 0 378.295 4.012 50 30 GIEARN COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)c1 ZINC000000636686 203842870 /nfs/dbraw/zinc/84/28/70/203842870.db2.gz UDZVAGAMOOUDTH-UHFFFAOYSA-N 0 0 385.419 4.343 50 30 GIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4oc3=O)sc2C1 ZINC000000670476 203846539 /nfs/dbraw/zinc/84/65/39/203846539.db2.gz GASSIYKEEANMJQ-LBPRGKRZSA-N 0 0 378.453 4.493 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1 ZINC000001187506 203894182 /nfs/dbraw/zinc/89/41/82/203894182.db2.gz KMBRXIOEAKFHLA-AOMKIAJQSA-N 0 0 377.440 4.123 50 30 GIEARN COc1ccc(/C=N/N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001187423 203894275 /nfs/dbraw/zinc/89/42/75/203894275.db2.gz ZZZWXEWYBJLFIS-NMWDDECMSA-N 0 0 387.439 4.304 50 30 GIEARN CCc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000000903740 203863301 /nfs/dbraw/zinc/86/33/01/203863301.db2.gz IVCUQCQWNQUISA-UHFFFAOYSA-N 0 0 384.863 4.282 50 30 GIEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Cl)cc1Cl ZINC000000958084 203869169 /nfs/dbraw/zinc/86/91/69/203869169.db2.gz AIGSNEAROPRMBZ-UHFFFAOYSA-N 0 0 376.268 4.320 50 30 GIEARN N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001030554 203874334 /nfs/dbraw/zinc/87/43/34/203874334.db2.gz VMYDCHCICGQOIN-UHFFFAOYSA-N 0 0 376.865 4.179 50 30 GIEARN O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1F ZINC000001079504 203881035 /nfs/dbraw/zinc/88/10/35/203881035.db2.gz SMDDECGZLUBREP-HNNXBMFYSA-N 0 0 380.375 4.262 50 30 GIEARN Cc1cc(C)nc(N=C(NC(=O)C(C)(C)C)Nc2cccc(C(F)(F)F)c2)n1 ZINC000002353624 203939454 /nfs/dbraw/zinc/93/94/54/203939454.db2.gz LAZYMYCMUOBYEF-UHFFFAOYSA-N 0 0 393.413 4.374 50 30 GIEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000003118119 203986389 /nfs/dbraw/zinc/98/63/89/203986389.db2.gz AEOUIQIQRYZIIR-UHFFFAOYSA-N 0 0 375.336 4.326 50 30 GIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000002581579 203949428 /nfs/dbraw/zinc/94/94/28/203949428.db2.gz GNZNESXOPRDXRH-IBGZPJMESA-N 0 0 382.460 4.494 50 30 GIEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004293172 204037066 /nfs/dbraw/zinc/03/70/66/204037066.db2.gz QVKWDKPHEMCSMJ-XXBRTLJISA-N 0 0 392.371 4.053 50 30 GIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(O)cc1 ZINC000004331410 204039473 /nfs/dbraw/zinc/03/94/73/204039473.db2.gz PQSJYLBARRUNCE-OAHLLOKOSA-N 0 0 396.516 4.077 50 30 GIEARN N#Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000003424774 204006632 /nfs/dbraw/zinc/00/66/32/204006632.db2.gz IDHRTXOTHPAREY-UHFFFAOYSA-N 0 0 390.826 4.460 50 30 GIEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(O)cc2)C1 ZINC000004199862 204033337 /nfs/dbraw/zinc/03/33/37/204033337.db2.gz XUDJVUOPGHUYDI-HXUWFJFHSA-N 0 0 386.455 4.309 50 30 GIEARN BrC(=CN=Nc1nnc2c3ccccc3[nH]c2n1)Cc1ccccc1 ZINC000004737661 204071015 /nfs/dbraw/zinc/07/10/15/204071015.db2.gz TZDOAEKELMECCA-ARNAKLSLSA-N 0 0 393.248 4.340 50 30 GIEARN COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2/C(C)=C/C(C)=O)cc1 ZINC000004811399 204077807 /nfs/dbraw/zinc/07/78/07/204077807.db2.gz BAYOSZTXLRQJFP-QGFLDLQWSA-N 0 0 379.416 4.247 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000004814167 204078236 /nfs/dbraw/zinc/07/82/36/204078236.db2.gz LZPHHTUPSJGXLM-XCLFUZPHSA-N 0 0 394.837 4.486 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC ZINC000004918902 204092107 /nfs/dbraw/zinc/09/21/07/204092107.db2.gz HDZYEWCYSPHZKN-HNAYVOBHSA-N 0 0 386.469 4.085 50 30 GIEARN Oc1c(Br)cccc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000004844068 204081568 /nfs/dbraw/zinc/08/15/68/204081568.db2.gz ATALUDPSYPCALV-LRNAUUFOSA-N 0 0 381.098 4.296 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000004844485 204081773 /nfs/dbraw/zinc/08/17/73/204081773.db2.gz CEQZRSKXBIDCRV-OAQYLSRUSA-N 0 0 392.499 4.439 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(C)cc1 ZINC000004919723 204092292 /nfs/dbraw/zinc/09/22/92/204092292.db2.gz VLLQKPYFNZJKMZ-XXBNENTESA-N 0 0 394.467 4.332 50 30 GIEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCC(=O)c1ccccc1 ZINC000004871445 204084758 /nfs/dbraw/zinc/08/47/58/204084758.db2.gz KPXYBFUXNAYDHI-UHFFFAOYSA-N 0 0 378.478 4.408 50 30 GIEARN COc1ccc(/C=C2\CS/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000004882835 204085873 /nfs/dbraw/zinc/08/58/73/204085873.db2.gz JMMKFOGYHXRSPL-JKVMRJOASA-N 0 0 398.480 4.461 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1 ZINC000004919689 204092437 /nfs/dbraw/zinc/09/24/37/204092437.db2.gz QNPUHMAHUKIAGP-PGRDOPGGSA-N 0 0 380.440 4.023 50 30 GIEARN CCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1OCC ZINC000004905861 204089832 /nfs/dbraw/zinc/08/98/32/204089832.db2.gz JGHXOQLVCULWEO-KGENOOAVSA-N 0 0 382.489 4.347 50 30 GIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)c1 ZINC000004916182 204090652 /nfs/dbraw/zinc/09/06/52/204090652.db2.gz ACCQNCZBWFORHU-VQIMIIECSA-N 0 0 391.467 4.017 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004918556 204090816 /nfs/dbraw/zinc/09/08/16/204090816.db2.gz QGJFLWDHJSSENZ-UYAOXDASSA-N 0 0 383.375 4.053 50 30 GIEARN COc1ccccc1N1C(=O)C[C@]1(C#N)c1ccc(OCc2ccccc2)cc1 ZINC000004472923 204045374 /nfs/dbraw/zinc/04/53/74/204045374.db2.gz LVXDMAKCDDVKDZ-DEOSSOPVSA-N 0 0 384.435 4.430 50 30 GIEARN COc1ccc2ccccc2c1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000004457691 204046345 /nfs/dbraw/zinc/04/63/45/204046345.db2.gz CINJGABJDCJYSY-YDZHTSKRSA-N 0 0 382.427 4.124 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004918618 204091173 /nfs/dbraw/zinc/09/11/73/204091173.db2.gz RPXJXVSRNFJRSB-RXVVDRJESA-N 0 0 398.430 4.162 50 30 GIEARN O=C(/N=C1\S/C(=C/c2cccnc2)C(=O)N1c1ccccc1)c1ccccc1 ZINC000004514262 204049701 /nfs/dbraw/zinc/04/97/01/204049701.db2.gz SGXWELGGQQEDDL-GDBHHJMHSA-N 0 0 385.448 4.399 50 30 GIEARN CCCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CCC)n2c(C)nnc2S1 ZINC000004518303 204049751 /nfs/dbraw/zinc/04/97/51/204049751.db2.gz KQMSNANCAPMDBI-UHFFFAOYSA-N 0 0 384.505 4.003 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1cccc(OC)c1 ZINC000004918316 204091331 /nfs/dbraw/zinc/09/13/31/204091331.db2.gz SYFFGYBUWSTJFA-RBBKRZOGSA-N 0 0 380.440 4.023 50 30 GIEARN O=S(=O)(N=C(Nc1ccccn1)c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004587607 204055756 /nfs/dbraw/zinc/05/57/56/204055756.db2.gz WCYFUKFLROEHHB-UHFFFAOYSA-N 0 0 389.839 4.122 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000004650270 204059058 /nfs/dbraw/zinc/05/90/58/204059058.db2.gz DNMIVGPRKRLQLY-KRWDZBQOSA-N 0 0 386.245 4.247 50 30 GIEARN CCn1nc(C)c(/C=C/C(=O)c2ccc(I)cc2)c1C ZINC000004652012 204059861 /nfs/dbraw/zinc/05/98/61/204059861.db2.gz VIXNNFLPGMNGBR-MDZDMXLPSA-N 0 0 380.229 4.021 50 30 GIEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(O)cc1 ZINC000004676202 204062005 /nfs/dbraw/zinc/06/20/05/204062005.db2.gz RFWZHEGAMPDOCT-PDGQHHTCSA-N 0 0 379.416 4.214 50 30 GIEARN N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCn1ccnc1 ZINC000005163950 204116775 /nfs/dbraw/zinc/11/67/75/204116775.db2.gz YDZKXHFDPHRZDD-UHFFFAOYSA-N 0 0 399.454 4.491 50 30 GIEARN COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000005210346 204119370 /nfs/dbraw/zinc/11/93/70/204119370.db2.gz GHQYAKZDBZTTSS-RUDMXATFSA-N 0 0 377.234 4.371 50 30 GIEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 ZINC000005214331 204119432 /nfs/dbraw/zinc/11/94/32/204119432.db2.gz UEFSTJZORAACHQ-CNPYVQQSSA-N 0 0 375.856 4.033 50 30 GIEARN COc1ccccc1N1CCN(/N=C(/C)c2ccc(Br)cc2)CC1 ZINC000005052793 204107417 /nfs/dbraw/zinc/10/74/17/204107417.db2.gz QOVBZDHHFKXFOV-QNGOZBTKSA-N 0 0 388.309 4.004 50 30 GIEARN N#CC(=NNc1cc(Cl)c(Cl)cc1Cl)c1nc2ccccc2c(=O)[nH]1 ZINC000005729152 204149312 /nfs/dbraw/zinc/14/93/12/204149312.db2.gz OWYFZKRRFOCQNM-OYKKKHCWSA-N 0 0 392.633 4.223 50 30 GIEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005923739 204156675 /nfs/dbraw/zinc/15/66/75/204156675.db2.gz WCKSOYKCCKAANI-MRXNPFEDSA-N 0 0 395.528 4.473 50 30 GIEARN Cc1ccc(C2N=NC(=S)N2N=Cc2ccc(Br)s2)cc1 ZINC000006054252 204162766 /nfs/dbraw/zinc/16/27/66/204162766.db2.gz HHLBYLYBPRTJMY-LZYBPNLTSA-N 0 0 379.308 4.248 50 30 GIEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccccc1Cl ZINC000006054225 204163263 /nfs/dbraw/zinc/16/32/63/204163263.db2.gz OXAZPSKTONAKBR-HRGDMGKESA-N 0 0 383.904 4.403 50 30 GIEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 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C=CCc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1-c1cscn1 ZINC000024927775 519146238 /nfs/dbraw/zinc/14/62/38/519146238.db2.gz MMLHTKVGPNUTDT-QGZVFWFLSA-N 0 0 391.496 4.328 50 30 GIEARN C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1Cl ZINC000001099691 519201527 /nfs/dbraw/zinc/20/15/27/519201527.db2.gz FWGUWKSKGGPMQJ-UHFFFAOYSA-N 0 0 397.331 4.152 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccco1 ZINC000002861093 519222087 /nfs/dbraw/zinc/22/20/87/519222087.db2.gz AVTBLYKFINWDRN-UHFFFAOYSA-N 0 0 386.502 4.177 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)=O)nnc1-c1ccccc1 ZINC000004285615 519223411 /nfs/dbraw/zinc/22/34/11/519223411.db2.gz BYTRSWVDIQYHRD-UHFFFAOYSA-N 0 0 392.484 4.065 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccn1 ZINC000002522922 519224101 /nfs/dbraw/zinc/22/41/01/519224101.db2.gz YKRFHIUPJPCIPF-UHFFFAOYSA-N 0 0 393.516 4.380 50 30 GIEARN C=CCn1c(SCc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC ZINC000005131449 519242127 /nfs/dbraw/zinc/24/21/27/519242127.db2.gz YEHWUBIYURSXFZ-UHFFFAOYSA-N 0 0 381.457 4.161 50 30 GIEARN CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 ZINC000034911109 519709190 /nfs/dbraw/zinc/70/91/90/519709190.db2.gz HKVHKUCOUKYWEO-AUWJEWJLSA-N 0 0 388.471 4.419 50 30 GIEARN CC(C)Oc1ccc(Br)cc1C(=O)N=C(N)NC1CCCCCC1 ZINC000071782570 519778190 /nfs/dbraw/zinc/77/81/90/519778190.db2.gz JSGORCKVKOCJLY-UHFFFAOYSA-N 0 0 396.329 4.004 50 30 GIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000101284503 520039998 /nfs/dbraw/zinc/03/99/98/520039998.db2.gz RVJOAASTXDGJSM-HXUWFJFHSA-N 0 0 398.507 4.479 50 30 GIEARN CCCNc1c2ccccc2oc(=O)c1NC(=O)NCc1cccc(OC)c1 ZINC000028048847 520126793 /nfs/dbraw/zinc/12/67/93/520126793.db2.gz SSZSVOJYXPWUJE-UHFFFAOYSA-N 0 0 381.432 4.150 50 30 GIEARN CC1(C)CC(=O)C(=C2N(Cc3ccccc3)CCN2Cc2ccccc2)C(=O)C1 ZINC000009287987 520252631 /nfs/dbraw/zinc/25/26/31/520252631.db2.gz QVCMQQBUPCOKJV-UHFFFAOYSA-N 0 0 388.511 4.174 50 30 GIEARN CC1(C)CC(=O)C(C(c2ccccc2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004764 520252763 /nfs/dbraw/zinc/25/27/63/520252763.db2.gz JJUPYVIJLVDFPF-IBGZPJMESA-N 0 0 384.472 4.251 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(C)(=O)=O)[C@H]2c1ccccc1 ZINC000021722782 520265950 /nfs/dbraw/zinc/26/59/50/520265950.db2.gz UAGWPAXCMOLXFQ-NRFANRHFSA-N 0 0 396.512 4.263 50 30 GIEARN CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)Cc1noc2ccccc21 ZINC000028243473 520515455 /nfs/dbraw/zinc/51/54/55/520515455.db2.gz GUWOWMYICOUJLO-XDOYNYLZSA-N 0 0 379.485 4.281 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccc(O)c2)C1=O ZINC000036258451 520536739 /nfs/dbraw/zinc/53/67/39/520536739.db2.gz JHVAPOHCDNLFDJ-MHWRWJLKSA-N 0 0 385.416 4.075 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cc(C)ccc2O)C1=O ZINC000036257992 520539082 /nfs/dbraw/zinc/53/90/82/520539082.db2.gz KWZWUIUPZZWJFJ-GZTJUZNOSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(O)c2)C1=O ZINC000036257971 520541720 /nfs/dbraw/zinc/54/17/20/520541720.db2.gz JMIYLWCBFYWXBA-LFIBNONCSA-N 0 0 385.416 4.075 50 30 GIEARN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCC#N ZINC000015013632 520627212 /nfs/dbraw/zinc/62/72/12/520627212.db2.gz OPQGOUDBVHZDIW-QGOAFFKASA-N 0 0 380.425 4.229 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2ccc(OCCOC)cc2)cc(Cl)c1O ZINC000096130154 520637678 /nfs/dbraw/zinc/63/76/78/520637678.db2.gz IOWNPFKXVLPSJA-WTKPLQERSA-N 0 0 376.836 4.366 50 30 GIEARN CCOc1cc(C=Nn2cn[nH]c2=S)ccc1OCc1ccccc1Cl ZINC000005958802 520644596 /nfs/dbraw/zinc/64/45/96/520644596.db2.gz OGUPGFWMIJCZMH-UFFVCSGVSA-N 0 0 388.880 4.454 50 30 GIEARN CCOc1ccc(CN=Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000004070894 520851902 /nfs/dbraw/zinc/85/19/02/520851902.db2.gz IMWBPHXWDKAGEO-CIAFOILYSA-N 0 0 383.473 4.094 50 30 GIEARN CCC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000095471661 520896193 /nfs/dbraw/zinc/89/61/93/520896193.db2.gz IJPWHHSNVWXTKV-WLDAGKKMSA-N 0 0 381.501 4.329 50 30 GIEARN CCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CCCC1=N2 ZINC000020091557 520978763 /nfs/dbraw/zinc/97/87/63/520978763.db2.gz RCFZYPWCGUWERQ-QGZVFWFLSA-N 0 0 399.476 4.101 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC ZINC000004626471 521027061 /nfs/dbraw/zinc/02/70/61/521027061.db2.gz QBJKGTWUOZKBMD-FOIQADDNSA-N 0 0 389.492 4.205 50 30 GIEARN CCCC[C@@H](CC)CNC(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000022621641 521035693 /nfs/dbraw/zinc/03/56/93/521035693.db2.gz CFGZHFHJGRRASB-MRXNPFEDSA-N 0 0 392.503 4.401 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000019923517 521167747 /nfs/dbraw/zinc/16/77/47/521167747.db2.gz SWXHWRUUXYKZOL-YWZLYKJASA-N 0 0 389.492 4.292 50 30 GIEARN CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2F)cc1 ZINC000020955987 521272960 /nfs/dbraw/zinc/27/29/60/521272960.db2.gz JFHFQNMLEKGTMY-OAQYLSRUSA-N 0 0 395.478 4.308 50 30 GIEARN CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2)S/C1=N\C1CCCCCC1 ZINC000017242759 521532836 /nfs/dbraw/zinc/53/28/36/521532836.db2.gz SWKCBMPQBRLMNF-NKWDDMGQSA-N 0 0 387.549 4.366 50 30 GIEARN CCCN(CCC)C(=O)c1ccc(NN=C2c3cc(C)cc(C)c3NC2=O)cc1 ZINC000022631942 521642259 /nfs/dbraw/zinc/64/22/59/521642259.db2.gz RMSIOVUOCKELQS-UHFFFAOYSA-N 0 0 392.503 4.334 50 30 GIEARN COc1cc(/C=C/C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1OCC#N ZINC000008039578 521927145 /nfs/dbraw/zinc/92/71/45/521927145.db2.gz JBAZJKNZDITHHR-RPAADVPWSA-N 0 0 376.456 4.147 50 30 GIEARN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC#N ZINC000007165567 521976165 /nfs/dbraw/zinc/97/61/65/521976165.db2.gz FYFMKHHAMKHCRJ-UNOMPAQXSA-N 0 0 393.468 4.297 50 30 GIEARN COCCn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccc(C)c1 ZINC000006606964 522072615 /nfs/dbraw/zinc/07/26/15/522072615.db2.gz OHYRPHRVPHQPJN-HXUWFJFHSA-N 0 0 392.528 4.435 50 30 GIEARN COC(=O)c1ccc(NC(=O)C(=O)Nc2cc(-c3ccccc3C)[nH]n2)cc1C ZINC000328596645 522085041 /nfs/dbraw/zinc/08/50/41/522085041.db2.gz KPTFVSYMYRGABL-UHFFFAOYSA-N 0 0 392.415 4.356 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)[C@H](C)Oc3ccccc3)c2)c1 ZINC000012821358 522190866 /nfs/dbraw/zinc/19/08/66/522190866.db2.gz BHOCAQKEQYYRGH-SFHVURJKSA-N 0 0 399.446 4.279 50 30 GIEARN COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 ZINC000218074739 522217121 /nfs/dbraw/zinc/21/71/21/522217121.db2.gz PNTPNCKPWMLVHD-NHDPSOOVSA-N 0 0 387.391 4.063 50 30 GIEARN COC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)Cl ZINC000100045747 522807152 /nfs/dbraw/zinc/80/71/52/522807152.db2.gz MTPAEVBJFREPLP-WHFBIAKZSA-N 0 0 377.442 4.071 50 30 GIEARN COCc1cc(C)nc(N=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C#N ZINC000004455866 522916104 /nfs/dbraw/zinc/91/61/04/522916104.db2.gz OFBRQKOZWPYCKS-SSDVNMTOSA-N 0 0 391.387 4.022 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102930958 523273855 /nfs/dbraw/zinc/27/38/55/523273855.db2.gz PSSNVUJEAOKSPK-WOOAAIBNSA-N 0 0 399.512 4.330 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102528485 523275664 /nfs/dbraw/zinc/27/56/64/523275664.db2.gz NHELJRZKDLUHLH-WOOAAIBNSA-N 0 0 397.471 4.035 50 30 GIEARN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2cc(OC)ccc21 ZINC000028182796 523308128 /nfs/dbraw/zinc/30/81/28/523308128.db2.gz JSEPUGKHDQIZFO-FBHDLOMBSA-N 0 0 392.455 4.053 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)cc1 ZINC000016810025 523422916 /nfs/dbraw/zinc/42/29/16/523422916.db2.gz JVALZDFTUNMDKF-MNAFEPAFSA-N 0 0 379.456 4.391 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(O)c(OC)cc2Br)cc1F ZINC000014183525 523538611 /nfs/dbraw/zinc/53/86/11/523538611.db2.gz JQFWDJPWQHOSQY-HWKANZROSA-N 0 0 381.197 4.207 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c(OC)c1 ZINC000006641299 523539356 /nfs/dbraw/zinc/53/93/56/523539356.db2.gz YNWDWFAPAWRTFT-QPJJXVBHSA-N 0 0 393.233 4.077 50 30 GIEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(Cn3nnc4ccccc43)c2)cc1 ZINC000005007387 523541794 /nfs/dbraw/zinc/54/17/94/523541794.db2.gz MUYCIHWCPCOYRE-NTUHNPAUSA-N 0 0 399.450 4.393 50 30 biogenic,in-vitro GIEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(O)c(OC)c2)cc1Br ZINC000096766133 523544722 /nfs/dbraw/zinc/54/47/22/523544722.db2.gz KFOXTXYIMHSWHA-XQRVVYSFSA-N 0 0 393.233 4.077 50 30 GIEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C)o2)C3=O)cc1 ZINC000002103792 523589879 /nfs/dbraw/zinc/58/98/79/523589879.db2.gz XQTYFIYLTSVWRT-UUYOSTAYSA-N 0 0 390.391 4.475 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000005689223 524034313 /nfs/dbraw/zinc/03/43/13/524034313.db2.gz LJKYYTVSCAYWRM-MTJSOVHGSA-N 0 0 375.424 4.052 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102534127 524052116 /nfs/dbraw/zinc/05/21/16/524052116.db2.gz WFCBCPVWYICAIC-GHNGSUTGSA-N 0 0 394.452 4.233 50 30 GIEARN CCc1ccc2c(c1)/C(=C1\S/C(=N\c3cccc(Cl)c3C)NC1=O)C(=O)N2 ZINC000034145315 524059286 /nfs/dbraw/zinc/05/92/86/524059286.db2.gz ZELSOPGWKWAPBL-WUKNDPDISA-N 0 0 397.887 4.425 50 30 GIEARN Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)o2)c1 ZINC000020897139 524125209 /nfs/dbraw/zinc/12/52/09/524125209.db2.gz NFHYZXSPEOXASY-UHFFFAOYSA-N 0 0 378.457 4.084 50 30 GIEARN Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=S)NC3CCCCC3)cc2)c1 ZINC000002543226 524224518 /nfs/dbraw/zinc/22/45/18/524224518.db2.gz IVCZYWOMUFJDIW-HZHRSRAPSA-N 0 0 395.528 4.345 50 30 GIEARN O=C(/C=C/c1cc2ccccc2nc1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000016388225 534773184 /nfs/dbraw/zinc/77/31/84/534773184.db2.gz QLPITNHJYOEVLX-SOFGYWHQSA-N 0 0 380.394 4.246 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H](C)C2)C1=O ZINC000016810038 524321824 /nfs/dbraw/zinc/32/18/24/524321824.db2.gz UTLQYUVEBNXDPN-OFNOZLENSA-N 0 0 379.456 4.249 50 30 GIEARN COc1ccc(N=CNc2cc(C)c(C#N)c3nc4ccccc4n32)c(OC)c1 ZINC000017173008 524378573 /nfs/dbraw/zinc/37/85/73/524378573.db2.gz VAMHEHDLQZUGQM-UHFFFAOYSA-N 0 0 385.427 4.457 50 30 GIEARN COc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000019536647 524802830 /nfs/dbraw/zinc/80/28/30/524802830.db2.gz SZRWSYWVOPRLOT-NRFANRHFSA-N 0 0 381.472 4.149 50 30 GIEARN Cc1cc(Cn2cnc(-c3ccccc3)c2-c2ccc(C#CCCO)cc2)n[nH]1 ZINC000067948076 524922598 /nfs/dbraw/zinc/92/25/98/524922598.db2.gz QTPASDNZGWQXAC-UHFFFAOYSA-N 0 0 382.467 4.031 50 30 GIEARN Cc1ccc(NC(=O)CN2c3ccccc3C(=NNc3ccccc3C)C2=O)cc1 ZINC000004611077 525060381 /nfs/dbraw/zinc/06/03/81/525060381.db2.gz BREJGDMADOXOAL-VYIQYICTSA-N 0 0 398.466 4.105 50 30 GIEARN C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000012815936 525128141 /nfs/dbraw/zinc/12/81/41/525128141.db2.gz CRVUCQOKCBAPFJ-IBGZPJMESA-N 0 0 398.462 4.340 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 ZINC000009329962 525229344 /nfs/dbraw/zinc/22/93/44/525229344.db2.gz QLPLQVODHUDVEW-OPAMFIHVSA-N 0 0 386.455 4.011 50 30 GIEARN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000012815929 525257143 /nfs/dbraw/zinc/25/71/43/525257143.db2.gz CRVUCQOKCBAPFJ-LJQANCHMSA-N 0 0 398.462 4.340 50 30 GIEARN Cc1ccc(Nc2nnc(SCC(=O)N[C@@](C)(C#N)C(C)C)s2)cc1C ZINC000003535455 525330417 /nfs/dbraw/zinc/33/04/17/525330417.db2.gz PFKAIFVLRGMHNN-SFHVURJKSA-N 0 0 389.550 4.045 50 30 GIEARN O=C1c2ccccc2C(=NS(=O)(=O)c2cccs2)C=C1Nc1ccccc1 ZINC000012511058 534848786 /nfs/dbraw/zinc/84/87/86/534848786.db2.gz HBKSVQFOBQYYEZ-OQKWZONESA-N 0 0 394.477 4.118 50 30 aggregator GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(CCc1cccs1)CO3 ZINC000023127136 534849363 /nfs/dbraw/zinc/84/93/63/534849363.db2.gz QRGNBLBWDMELGE-ODLFYWEKSA-N 0 0 379.437 4.352 50 30 GIEARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000096401102 525439609 /nfs/dbraw/zinc/43/96/09/525439609.db2.gz ULKYVIAOJDMQRK-HMWXGYMHSA-N 0 0 388.423 4.207 50 30 GIEARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C=Cc1ccc(OCC#N)cc1 ZINC000096401103 525442172 /nfs/dbraw/zinc/44/21/72/525442172.db2.gz ULKYVIAOJDMQRK-CKDIWJPDSA-N 0 0 388.423 4.207 50 30 GIEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(O)c3)cc2)cc1 ZINC000006317053 525598802 /nfs/dbraw/zinc/59/88/02/525598802.db2.gz YERSBGYBPCGJBR-VGOFMYFVSA-N 0 0 393.464 4.398 50 30 GIEARN COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)c1OC ZINC000054333094 525765060 /nfs/dbraw/zinc/76/50/60/525765060.db2.gz ZSXYVYQVTCWAQH-GRSHGNNSSA-N 0 0 395.455 4.189 50 30 GIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c1 ZINC000016810037 525768957 /nfs/dbraw/zinc/76/89/57/525768957.db2.gz RRCYXZJIYIGMAU-RANIVTSPSA-N 0 0 379.456 4.249 50 30 GIEARN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000032682256 525785817 /nfs/dbraw/zinc/78/58/17/525785817.db2.gz NCOCTHQHYLNASX-MRXNPFEDSA-N 0 0 376.437 4.380 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 ZINC000102742533 525983319 /nfs/dbraw/zinc/98/33/19/525983319.db2.gz PBXWRXPBEWNEAI-HVESIFNPSA-N 0 0 394.452 4.288 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000004312457 525985310 /nfs/dbraw/zinc/98/53/10/525985310.db2.gz LZDRGXYJOLPOBX-IBGZPJMESA-N 0 0 390.464 4.230 50 30 GIEARN Cc1cc(=N)n(C(=Nc2cccnc2)Nc2ccc(C(F)(F)F)cc2)s1 ZINC000020343973 526098628 /nfs/dbraw/zinc/09/86/28/526098628.db2.gz JFEKVUPWGUJWOC-UHFFFAOYSA-N 0 0 377.395 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Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Cl)c2C)c1 ZINC000046129928 570211352 /nfs/dbraw/zinc/21/13/52/570211352.db2.gz PBJZCRDAFNQZNT-QGZVFWFLSA-N 0 0 385.895 4.334 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(Cl)c2C)cc1 ZINC000046129962 570211357 /nfs/dbraw/zinc/21/13/57/570211357.db2.gz CNJZSVWSWQNJGF-KRWDZBQOSA-N 0 0 385.895 4.334 50 30 GIEARN CC(C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130636 570211636 /nfs/dbraw/zinc/21/16/36/570211636.db2.gz KONOUHFWRMCWGS-FQEVSTJZSA-N 0 0 383.467 4.326 50 30 GIEARN Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1C ZINC000000662248 570215036 /nfs/dbraw/zinc/21/50/36/570215036.db2.gz JEPRITQLTIPOTQ-WXVFVKJXSA-N 0 0 385.464 4.033 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1 ZINC000008471245 570220986 /nfs/dbraw/zinc/22/09/86/570220986.db2.gz DESGHZKJDUHOFL-UHFFFAOYSA-N 0 0 393.516 4.380 50 30 GIEARN COc1ccc(-c2cc(NC=C(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1 ZINC000000826032 570225672 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C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000002438524 570253554 /nfs/dbraw/zinc/25/35/54/570253554.db2.gz PAYLPHBRAVZGLD-UHFFFAOYSA-N 0 0 398.557 4.464 50 30 GIEARN CC1(C)CC(=O)C(=NNc2cc(C(=O)Nc3ccccc3)ccc2Cl)C(=O)C1 ZINC000001220119 570259329 /nfs/dbraw/zinc/25/93/29/570259329.db2.gz HQKWOVXYFKFBPL-UHFFFAOYSA-N 0 0 397.862 4.318 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)nc1Cl ZINC000025695223 570270989 /nfs/dbraw/zinc/27/09/89/570270989.db2.gz QPZQGEUNQQYGMK-HNNXBMFYSA-N 0 0 395.286 4.165 50 30 GIEARN Cc1ccc(CN2CCN(N=Cc3ccc(C(F)(F)F)cc3)CC2)c(C)c1 ZINC000002705085 570277255 /nfs/dbraw/zinc/27/72/55/570277255.db2.gz SJYUNGYUAQQYNO-UHFFFAOYSA-N 0 0 375.438 4.474 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000002455556 570287423 /nfs/dbraw/zinc/28/74/23/570287423.db2.gz FYOSIYUKIQBEDK-QFIPXVFZSA-N 0 0 389.451 4.104 50 30 GIEARN COc1ccc(CCNc2cc(C)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000000787960 570323866 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GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000012517592 570826684 /nfs/dbraw/zinc/82/66/84/570826684.db2.gz UXICVVJDGYNFEM-UHFFFAOYSA-N 0 0 375.413 4.021 50 30 GIEARN CCOc1cccc(/C=N/CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O ZINC000004687590 570834019 /nfs/dbraw/zinc/83/40/19/570834019.db2.gz VCPAAOWFRXDNTQ-SSDVNMTOSA-N 0 0 397.353 4.249 50 30 GIEARN C#CCn1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000004688503 570834526 /nfs/dbraw/zinc/83/45/26/570834526.db2.gz REMLTVGIRMZJOP-UNOMPAQXSA-N 0 0 389.842 4.021 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012538891 570838351 /nfs/dbraw/zinc/83/83/51/570838351.db2.gz GHYAILRZPMTLJD-DEOSSOPVSA-N 0 0 398.462 4.292 50 30 GIEARN CCCCNc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(F)cc1 ZINC000032828702 570842178 /nfs/dbraw/zinc/84/21/78/570842178.db2.gz UVOAEKQOYPVFRK-SFHVURJKSA-N 0 0 398.463 4.019 50 30 GIEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000102832494 570866340 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GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1 ZINC000097105067 570894201 /nfs/dbraw/zinc/89/42/01/570894201.db2.gz GDGQGZVPLMINLE-DENIHFKCSA-N 0 0 380.440 4.023 50 30 GIEARN C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C ZINC000032900416 570894418 /nfs/dbraw/zinc/89/44/18/570894418.db2.gz XAAZRBRZYYYPAX-UHFFFAOYSA-N 0 0 392.484 4.427 50 30 GIEARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032900385 570894545 /nfs/dbraw/zinc/89/45/45/570894545.db2.gz UXDZLUKKCSASPD-UHFFFAOYSA-N 0 0 397.828 4.301 50 30 GIEARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907440 570907527 /nfs/dbraw/zinc/90/75/27/570907527.db2.gz RBKDCZWIOHKWML-KBPBESRZSA-N 0 0 396.516 4.099 50 30 GIEARN C#CC1(NS(=O)(=O)c2ccc(SC(C)(C)C)c([N+](=O)[O-])c2)CCCCC1 ZINC000004323835 570929666 /nfs/dbraw/zinc/92/96/66/570929666.db2.gz UDBWNKOPNXXVCX-UHFFFAOYSA-N 0 0 396.534 4.100 50 30 GIEARN O=C1N/C(=N/c2ccccc2Br)S/C1=C/C=C/c1ccco1 ZINC000016672927 570930355 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CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000018244456 570952042 /nfs/dbraw/zinc/95/20/42/570952042.db2.gz XNJMHGPOJZEGRY-FQEVSTJZSA-N 0 0 395.415 4.351 50 30 GIEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)cc1 ZINC000252429509 570955540 /nfs/dbraw/zinc/95/55/40/570955540.db2.gz XRTQDRZTEPTRGJ-UHFFFAOYSA-N 0 0 394.500 4.200 50 30 GIEARN CC(=O)O[C@@](C)(C#CCN1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430736 570955915 /nfs/dbraw/zinc/95/59/15/570955915.db2.gz HJMJDULWIZHBIX-ZEQRLZLVSA-N 0 0 376.500 4.177 50 30 GIEARN Cc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1C ZINC000083316726 570957501 /nfs/dbraw/zinc/95/75/01/570957501.db2.gz AHEIIOQEHVBKLE-LRWZUSMTSA-N 0 0 385.464 4.033 50 30 GIEARN Cc1ccc(-c2oc(=O)c(C#N)c(N3CCN(Cc4ccccc4)CC3)c2C)cc1 ZINC000585145669 570969581 /nfs/dbraw/zinc/96/95/81/570969581.db2.gz VGVVFAWDUMJTRY-UHFFFAOYSA-N 0 0 399.494 4.118 50 30 GIEARN Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1 ZINC000044858857 570978182 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CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252596005 571003732 /nfs/dbraw/zinc/00/37/32/571003732.db2.gz CFHBPNALYXAKKP-AHDBMNBVSA-N 0 0 396.468 4.106 50 30 GIEARN CN(C)N1C(=O)C[C@@H](c2ccc(F)cc2)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001432872 571004880 /nfs/dbraw/zinc/00/48/80/571004880.db2.gz SLTFKUGIBYNLBL-HKUYNNGSSA-N 0 0 378.447 4.019 50 30 GIEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000002209286 571006173 /nfs/dbraw/zinc/00/61/73/571006173.db2.gz DLJSYBWAKFDOSD-UHFFFAOYSA-N 0 0 381.439 4.086 50 30 GIEARN CCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252617901 571020137 /nfs/dbraw/zinc/02/01/37/571020137.db2.gz LAXTXJRBSLAQSO-CTNAHEIOSA-N 0 0 396.468 4.106 50 30 GIEARN CCOC(=O)C1=C(N=Cc2cccc(OCC)c2O)S[C@@H]2CCCC[C@@H]12 ZINC000252620327 571026746 /nfs/dbraw/zinc/02/67/46/571026746.db2.gz MBZLWVNMKSDUBF-GDBMZVCRSA-N 0 0 375.490 4.290 50 30 GIEARN CC[C@H]1CCc2sc(C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779922 571037236 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C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O ZINC000002302240 817383356 /nfs/dbraw/zinc/38/33/56/817383356.db2.gz PWYKYYKWSXQUKQ-UHFFFAOYSA-N 0 0 395.466 4.340 50 30 GIEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(Cl)cc2Cl)c1=O ZINC000002323430 817384235 /nfs/dbraw/zinc/38/42/35/817384235.db2.gz ICYFZWILTQSPHP-GZIVZEMBSA-N 0 0 387.226 4.075 50 30 GIEARN C[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002321306 817384409 /nfs/dbraw/zinc/38/44/09/817384409.db2.gz XXUNRUDGXWNTFM-VEUNDLRXSA-N 0 0 375.856 4.333 50 30 GIEARN COc1ccc(CCNc2oc(COc3cccc(Cl)c3)nc2C#N)cc1 ZINC000002405327 817387528 /nfs/dbraw/zinc/38/75/28/817387528.db2.gz JZOAYIMHSHUSQW-UHFFFAOYSA-N 0 0 383.835 4.442 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002487288 817391091 /nfs/dbraw/zinc/39/10/91/817391091.db2.gz FCOCIHLGGZYFBV-KDOFPFPSSA-N 0 0 398.528 4.362 50 30 GIEARN CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C(C)(C)C)cc1 ZINC000002649835 817396353 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ZINC000004342105 520857604 /nfs/dbraw/zinc/85/76/04/520857604.db2.gz ARJNGQIHGPQNEL-WSDLNYQXSA-N 0 0 382.489 4.168 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC ZINC000004626473 521027810 /nfs/dbraw/zinc/02/78/10/521027810.db2.gz QBJKGTWUOZKBMD-QRWLVFNGSA-N 0 0 389.492 4.205 50 30 GIEARN CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@]1(O)c1ccccc1 ZINC000248288752 521143487 /nfs/dbraw/zinc/14/34/87/521143487.db2.gz IFJQETUKALJECG-FTEYMNFISA-N 0 0 387.888 4.087 50 30 GIEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000095471662 521256394 /nfs/dbraw/zinc/25/63/94/521256394.db2.gz MPWWYKIJELSXPI-YGAJUMRDSA-N 0 0 399.491 4.469 50 30 GIEARN CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000022672803 521407428 /nfs/dbraw/zinc/40/74/28/521407428.db2.gz VQCGNUPTFACVKI-JOCHJYFZSA-N 0 0 394.496 4.224 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\C1CCCCCCC1 ZINC000004577417 521529636 /nfs/dbraw/zinc/52/96/36/521529636.db2.gz BCOIMQMPPNCHRX-GLEDVZQVSA-N 0 0 387.549 4.448 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F ZINC000002923009 521709647 /nfs/dbraw/zinc/70/96/47/521709647.db2.gz QZBOEMAUVRVFAW-IBGZPJMESA-N 0 0 389.492 4.090 50 30 GIEARN CC[C@H](C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000033691688 521763168 /nfs/dbraw/zinc/76/31/68/521763168.db2.gz JCJZTJSAGPGOJX-XHEYCZLTSA-N 0 0 388.380 4.135 50 30 GIEARN COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1OC ZINC000007350230 521940217 /nfs/dbraw/zinc/94/02/17/521940217.db2.gz SSCUAKNDKWJHPF-CMDGGOBGSA-N 0 0 385.847 4.380 50 30 GIEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc(Cl)c1OC ZINC000015015921 521968294 /nfs/dbraw/zinc/96/82/94/521968294.db2.gz OEUQQNOVUPUVCA-DHDCSXOGSA-N 0 0 392.839 4.388 50 30 GIEARN COc1cc(C(=O)/C=C\c2ccc(Br)s2)cc(OC)c1OC ZINC000096766845 522053140 /nfs/dbraw/zinc/05/31/40/522053140.db2.gz VCFAKOBUKBAICQ-XQRVVYSFSA-N 0 0 383.263 4.433 50 30 GIEARN CN(C)c1ccc(C=Nn2cc(O)c(-c3nc4ccccc4s3)c2N)s1 ZINC000102718571 522131805 /nfs/dbraw/zinc/13/18/05/522131805.db2.gz WYHVFBVWTYLAST-RICWVNQTSA-N 0 0 383.502 4.020 50 30 GIEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccccc2Cl)c1=O ZINC000097474778 522578263 /nfs/dbraw/zinc/57/82/63/522578263.db2.gz ZMFSLVZATMKYDC-TWGQIWQCSA-N 0 0 378.653 4.401 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2c(C)cccc2Cl)o1 ZINC000036611361 522779784 /nfs/dbraw/zinc/77/97/84/522779784.db2.gz OJHRCQGXCFTKAO-DJKKODMXSA-N 0 0 376.869 4.145 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000036611405 522780074 /nfs/dbraw/zinc/78/00/74/522780074.db2.gz ZKKWBRPYGBRDFH-UFWORHAWSA-N 0 0 397.287 4.490 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019856866 522885581 /nfs/dbraw/zinc/88/55/81/522885581.db2.gz MUBGRJCTQFIUBZ-VLIAUNLRSA-N 0 0 397.858 4.468 50 30 GIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 ZINC000101351666 523057086 /nfs/dbraw/zinc/05/70/86/523057086.db2.gz BXNFOBNRWXOKDB-JLEISICNSA-N 0 0 378.428 4.177 50 30 GIEARN COc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000035653458 523160187 /nfs/dbraw/zinc/16/01/87/523160187.db2.gz JOQDASZTRHFZAI-VXLYETTFSA-N 0 0 388.290 4.449 50 30 GIEARN COc1ccc(-c2nc(NC(=O)CSCc3ccc(C)cc3)n[nH]2)c(OC)c1 ZINC000058062530 523173609 /nfs/dbraw/zinc/17/36/09/523173609.db2.gz HJERTQXDAOKBCL-UHFFFAOYSA-N 0 0 398.488 4.319 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(Cl)c1 ZINC000004820166 523286142 /nfs/dbraw/zinc/28/61/42/523286142.db2.gz GJMWEQGQSMJALU-MRXNPFEDSA-N 0 0 391.876 4.016 50 30 GIEARN COc1ccc(/C=N/n2cncn2)cc1CSc1nc2ccccc2s1 ZINC000002267562 523457397 /nfs/dbraw/zinc/45/73/97/523457397.db2.gz WYQYNAICJRUJRA-AWQFTUOYSA-N 0 0 381.486 4.071 50 30 GIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100261579 523724748 /nfs/dbraw/zinc/72/47/48/523724748.db2.gz UYTAGJQYOAMOAA-JOJWKMGHSA-N 0 0 391.855 4.069 50 30 GIEARN COc1ccc(CN=C2NC(=NCc3ccc(OC)cc3)c3ccccc32)cc1 ZINC000012561743 523864978 /nfs/dbraw/zinc/86/49/78/523864978.db2.gz RIOANYBCLLCAHX-UHFFFAOYSA-N 0 0 385.467 4.201 50 30 GIEARN CCc1ccc(CN=Nc2nnc(C)c(N=NCc3ccc(CC)cc3)n2)cc1 ZINC000027988836 523873189 /nfs/dbraw/zinc/87/31/89/523873189.db2.gz ZZSMYXQDTXMYSX-OZEVPFDHSA-N 0 0 387.491 4.197 50 30 GIEARN CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000005025754 523889055 /nfs/dbraw/zinc/88/90/55/523889055.db2.gz SZWSCHASVIKEHC-FJIDUMEYSA-N 0 0 394.519 4.309 50 30 GIEARN CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002265182 523889335 /nfs/dbraw/zinc/88/93/35/523889335.db2.gz VBTZTTLEKGCDSV-DOTOQJQBSA-N 0 0 380.492 4.063 50 30 GIEARN CN(C)/C=C/C(=O)C1(c2cccc(Cl)c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000072233844 523967691 /nfs/dbraw/zinc/96/76/91/523967691.db2.gz VDFFMFCGSUKBRU-FMIVXFBMSA-N 0 0 392.927 4.253 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)CCOc1ccccc1F ZINC000102957915 524033962 /nfs/dbraw/zinc/03/39/62/524033962.db2.gz ABNXGYBJKYJDQB-STZFKDTASA-N 0 0 397.446 4.018 50 30 GIEARN C[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)C1 ZINC000036383349 524107583 /nfs/dbraw/zinc/10/75/83/524107583.db2.gz QXRWTYKHXFRJOY-WMZOPIPTSA-N 0 0 392.503 4.349 50 30 GIEARN Cc1cccc(C[C@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)c1 ZINC000013477835 524470469 /nfs/dbraw/zinc/47/04/69/524470469.db2.gz KKGUJSQIPFKPKN-OAHLLOKOSA-N 0 0 375.291 4.219 50 30 GIEARN Cc1ccccc1/N=C1/NC(=O)[C@@H](Cc2ccc(Br)cc2)S1 ZINC000013477819 525040902 /nfs/dbraw/zinc/04/09/02/525040902.db2.gz MYYFNSIMJPBFTJ-OAHLLOKOSA-N 0 0 375.291 4.219 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3C)c(OC)c1OC ZINC000095117719 525231535 /nfs/dbraw/zinc/23/15/35/525231535.db2.gz YIJNTIMMHJGOEY-KBPBESRZSA-N 0 0 394.471 4.339 50 30 GIEARN Cc1ccc([N-]C(NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(F)(F)F)[nH+]c1 ZINC000017241669 525266379 /nfs/dbraw/zinc/26/63/79/525266379.db2.gz FGFXYQVDYQQPNC-UHFFFAOYSA-N 0 0 395.278 4.192 50 30 GIEARN Cc1ccc(O)c(/C=N\c2sc3c(c2C(=O)OC(C)(C)C)CCN(C)C3)c1 ZINC000013801394 525333850 /nfs/dbraw/zinc/33/38/50/525333850.db2.gz MOKNPLWMKCZBHW-JJFYIABZSA-N 0 0 386.517 4.456 50 30 GIEARN COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000009348906 525393665 /nfs/dbraw/zinc/39/36/65/525393665.db2.gz JIMRNSVFPBQRSP-FATZIPQQSA-N 0 0 376.456 4.468 50 30 biogenic,in-vitro GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3C)c(OC)c1OC ZINC000095117721 525397925 /nfs/dbraw/zinc/39/79/25/525397925.db2.gz YIJNTIMMHJGOEY-UONOGXRCSA-N 0 0 394.471 4.339 50 30 GIEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013730285 525438279 /nfs/dbraw/zinc/43/82/79/525438279.db2.gz AIBPUWWRNLHOSQ-KRWDZBQOSA-N 0 0 398.459 4.209 50 30 GIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000000657486 525516977 /nfs/dbraw/zinc/51/69/77/525516977.db2.gz RXOFFMHTWDENPA-OEAKJJBVSA-N 0 0 398.459 4.026 50 30 GIEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(SC)ccc1Cl ZINC000012371510 525555040 /nfs/dbraw/zinc/55/50/40/525555040.db2.gz UXQVEQTXZZRTJJ-CAPFRKAQSA-N 0 0 377.849 4.414 50 30 GIEARN COc1ccc2oc(=O)c(-c3csc(N=NCc4ccccc4O)n3)cc2c1 ZINC000004834691 525684221 /nfs/dbraw/zinc/68/42/21/525684221.db2.gz BQVFYZWGZFNSDT-UFFVCSGVSA-N 0 0 393.424 4.077 50 30 GIEARN Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@@H]2CCCO2)CO3)C1=O ZINC000013718957 525816679 /nfs/dbraw/zinc/81/66/79/525816679.db2.gz NNDYVVDLNOEBNY-WXARJGPPSA-N 0 0 383.469 4.004 50 30 GIEARN COc1cccc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2cccnc2)O3)c1 ZINC000006671615 525839117 /nfs/dbraw/zinc/83/91/17/525839117.db2.gz BUDJJUOGJOGBTE-JMIUGGIZSA-N 0 0 387.391 4.234 50 30 GIEARN C[C@@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000032608067 526014739 /nfs/dbraw/zinc/01/47/39/526014739.db2.gz MDQFNPMNPYWPEC-CYBMUJFWSA-N 0 0 389.550 4.176 50 30 GIEARN CSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1 ZINC000036611471 526226989 /nfs/dbraw/zinc/22/69/89/526226989.db2.gz IWTALNMMTLONRJ-DJKKODMXSA-N 0 0 376.869 4.324 50 30 GIEARN N#CCCN(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000003275919 526448774 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O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000009316566 527032834 /nfs/dbraw/zinc/03/28/34/527032834.db2.gz JBICXHVGLXVNNF-ZUOKHONESA-N 0 0 392.846 4.053 50 30 GIEARN C=CC[C@@]1(C(=O)N(C)Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C ZINC000225623521 527119006 /nfs/dbraw/zinc/11/90/06/527119006.db2.gz ZSPSGCZYVLISST-FQEVSTJZSA-N 0 0 393.915 4.039 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)CN(CCc1cccs1)CO3 ZINC000028182864 527124925 /nfs/dbraw/zinc/12/49/25/527124925.db2.gz WDVRBGQZHAHKKK-JAIQZWGSSA-N 0 0 390.464 4.154 50 30 GIEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000012560405 527137369 /nfs/dbraw/zinc/13/73/69/527137369.db2.gz BENXTHNEKOGMPK-NRFANRHFSA-N 0 0 380.451 4.016 50 30 GIEARN O=S(=O)(N=C(Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016771398 527158920 /nfs/dbraw/zinc/15/89/20/527158920.db2.gz IKNGBFBUGGMHTC-UHFFFAOYSA-N 0 0 377.680 4.256 50 30 GIEARN O=C(Nc1c(Cl)cccc1Cl)C1=C(c2ccccc2)S(=O)(=O)CCO1 ZINC000032102446 527307318 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30 GIEARN O=C(/C=C/c1cnn(Cc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 ZINC000013004425 527650345 /nfs/dbraw/zinc/65/03/45/527650345.db2.gz ZEXFKTDRDNXVHQ-FNORWQNLSA-N 0 0 380.831 4.252 50 30 GIEARN O=C(C=CNc1ccc(F)cc1F)c1ccc(I)cc1 ZINC000100661895 527652470 /nfs/dbraw/zinc/65/24/70/527652470.db2.gz IAXADPWDBKOFLW-FPLPWBNLSA-N 0 0 385.151 4.378 50 30 GIEARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741176 527659108 /nfs/dbraw/zinc/65/91/08/527659108.db2.gz YQDXQABCJVFSIE-PELKAZGASA-N 0 0 384.789 4.084 50 30 GIEARN CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 ZINC000096936317 528161915 /nfs/dbraw/zinc/16/19/15/528161915.db2.gz JPGNDLPWOBOQKY-NXCZOFCGSA-N 0 0 396.468 4.438 50 30 GIEARN CCOc1cc(C#N)cc(Cl)c1OC(=O)CCc1cccc(OC)c1OC ZINC000024550369 528203587 /nfs/dbraw/zinc/20/35/87/528203587.db2.gz KGOFLUCMNPFNLZ-UHFFFAOYSA-N 0 0 389.835 4.166 50 30 GIEARN CCOc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)cc1 ZINC000005066584 528368931 /nfs/dbraw/zinc/36/89/31/528368931.db2.gz CHPUVQSJIRQUCD-CPNJWEJPSA-N 0 0 381.403 4.102 50 30 GIEARN CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCc3ccncc3)c12 ZINC000005243409 528570033 /nfs/dbraw/zinc/57/00/33/528570033.db2.gz PUSULAHAPYFZQW-HNNXBMFYSA-N 0 0 380.444 4.373 50 30 GIEARN COc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019731627 570211539 /nfs/dbraw/zinc/21/15/39/570211539.db2.gz VAXDNBUBOMOOGK-OAQYLSRUSA-N 0 0 381.472 4.149 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2C)cc1 ZINC000046131656 570211925 /nfs/dbraw/zinc/21/19/25/570211925.db2.gz OGGVLBQTEVKJNE-HXUWFJFHSA-N 0 0 379.504 4.243 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)c(Cl)c2)cc1 ZINC000046131751 570211965 /nfs/dbraw/zinc/21/19/65/570211965.db2.gz GCNDLAORNIHPNW-INIZCTEOSA-N 0 0 389.858 4.164 50 30 GIEARN COc1ccc2c(c1)SCC(NN=C1CSc3cc(OC)ccc3N1)=N2 ZINC000000688099 570218354 /nfs/dbraw/zinc/21/83/54/570218354.db2.gz GCTYUAQVENROHB-UHFFFAOYSA-N 0 0 386.502 4.151 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)cc1 ZINC000000729431 570221676 /nfs/dbraw/zinc/22/16/76/570221676.db2.gz OFMKWEQNGGUDMK-XWRIVVANSA-N 0 0 376.456 4.226 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1cccc(F)c1 ZINC000000836134 570226132 /nfs/dbraw/zinc/22/61/32/570226132.db2.gz HYZRLDXTXDLEPO-INIZCTEOSA-N 0 0 390.208 4.077 50 30 GIEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1cc(Cl)ccc1Cl ZINC000000958083 570231873 /nfs/dbraw/zinc/23/18/73/570231873.db2.gz QXEKZSCTVJFDRZ-UHFFFAOYSA-N 0 0 376.268 4.320 50 30 GIEARN C=CCC1(CC=C)CCCN1C(=O)c1cc(Cn2cnc3ccccc32)on1 ZINC000012194415 570235917 /nfs/dbraw/zinc/23/59/17/570235917.db2.gz MNPNVUNUTMATEZ-UHFFFAOYSA-N 0 0 376.460 4.200 50 30 GIEARN COc1cccc([C@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001035438 570236515 /nfs/dbraw/zinc/23/65/15/570236515.db2.gz ZCJJOXMPFTXNMN-CQSZACIVSA-N 0 0 383.473 4.054 50 30 GIEARN C=CCn1c2ccccc2nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000048331871 570238760 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GIEARN C=CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)C1=O ZINC000000982441 570250970 /nfs/dbraw/zinc/25/09/70/570250970.db2.gz YFVRZTYSMLQHQG-SFQUDFHCSA-N 0 0 383.425 4.346 50 30 GIEARN COc1ccc(CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1OC ZINC000001220084 570251537 /nfs/dbraw/zinc/25/15/37/570251537.db2.gz FEKLWXJKWJBYMO-UHFFFAOYSA-N 0 0 385.463 4.076 50 30 GIEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000020322455 570252284 /nfs/dbraw/zinc/25/22/84/570252284.db2.gz MZPCLACDDSLTGO-OAQYLSRUSA-N 0 0 376.431 4.432 50 30 GIEARN C=CCOc1cccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)c1 ZINC000002092312 570252386 /nfs/dbraw/zinc/25/23/86/570252386.db2.gz YJUGMMHQHODPRG-ATVHPVEESA-N 0 0 384.229 4.358 50 30 GIEARN C#CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 ZINC000002292488 570252781 /nfs/dbraw/zinc/25/27/81/570252781.db2.gz ZHIOWXXLLRKERX-UHFFFAOYSA-N 0 0 382.510 4.060 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccco1 ZINC000002382719 570253045 /nfs/dbraw/zinc/25/30/45/570253045.db2.gz 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CCCCN1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002432516 570287026 /nfs/dbraw/zinc/28/70/26/570287026.db2.gz BQPXQWQMQNGQIB-UHFFFAOYSA-N 0 0 386.336 4.318 50 30 GIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014122872 570291756 /nfs/dbraw/zinc/29/17/56/570291756.db2.gz YDTIFKHTIWYUEF-UHFFFAOYSA-N 0 0 387.439 4.227 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)N(Cc1ccccc1)c1cccc(C)c1 ZINC000012926751 570297369 /nfs/dbraw/zinc/29/73/69/570297369.db2.gz APKNXKUTFALLFJ-UHFFFAOYSA-N 0 0 392.528 4.406 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000023055296 570297533 /nfs/dbraw/zinc/29/75/33/570297533.db2.gz KJZWXDVWKNLSFU-UHFFFAOYSA-N 0 0 390.512 4.328 50 30 GIEARN Cc1[nH]c2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000024830017 570310299 /nfs/dbraw/zinc/31/02/99/570310299.db2.gz CLDHBTFUUGFHDZ-UHFFFAOYSA-N 0 0 386.499 4.005 50 30 GIEARN COc1cc(/C=C/C(=O)c2cc(C)ccc2OC)cc(Br)c1O ZINC000007915519 570347656 /nfs/dbraw/zinc/34/76/56/570347656.db2.gz 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C[C@H](c1ccccc1)N(C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000023819902 570373240 /nfs/dbraw/zinc/37/32/40/570373240.db2.gz KZGBCPKQQDVPOO-OAHLLOKOSA-N 0 0 392.528 4.053 50 30 GIEARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC=C1C(=O)CCCC1=O ZINC000100491760 570373366 /nfs/dbraw/zinc/37/33/66/570373366.db2.gz WCOPMHWAHJPSOO-UHFFFAOYSA-N 0 0 399.468 4.218 50 30 GIEARN CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004973897 570386841 /nfs/dbraw/zinc/38/68/41/570386841.db2.gz MPWWYKIJELSXPI-VOSQQLOXSA-N 0 0 399.491 4.469 50 30 GIEARN COc1ccc(Cl)cc1C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004685128 570392882 /nfs/dbraw/zinc/39/28/82/570392882.db2.gz ZCLPRURFQJWCRX-UHFFFAOYSA-N 0 0 387.650 4.327 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 ZINC000002882730 570393916 /nfs/dbraw/zinc/39/39/16/570393916.db2.gz KVCRZCUMAWRTFI-SFHVURJKSA-N 0 0 378.457 4.328 50 30 GIEARN N#Cc1cccc(NC(=O)c2cc(Br)c(Br)s2)c1 ZINC000013002134 570413915 /nfs/dbraw/zinc/41/39/15/570413915.db2.gz 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O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F ZINC000008740720 570539047 /nfs/dbraw/zinc/53/90/47/570539047.db2.gz UOAOXKCFKMDDSC-SFHVURJKSA-N 0 0 394.427 4.061 50 30 GIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F ZINC000008740719 570539108 /nfs/dbraw/zinc/53/91/08/570539108.db2.gz UOAOXKCFKMDDSC-GOSISDBHSA-N 0 0 394.427 4.061 50 30 GIEARN Cc1csc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 ZINC000005319660 570552881 /nfs/dbraw/zinc/55/28/81/570552881.db2.gz JHAKWFYQBGHPSL-UHFFFAOYSA-N 0 0 386.502 4.114 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1cccnc1)C3)C(=O)/C(=C\c1ccccc1)O2 ZINC000062001280 570555127 /nfs/dbraw/zinc/55/51/27/570555127.db2.gz PFVJOXVULCULMU-UFFVCSGVSA-N 0 0 384.435 4.358 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1ccccc1F ZINC000006743290 570565235 /nfs/dbraw/zinc/56/52/35/570565235.db2.gz LDSCQFYUBZCDLU-NRFANRHFSA-N 0 0 377.419 4.269 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(F)cc1 ZINC000225512808 570582383 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N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1 ZINC000000934581 570727362 /nfs/dbraw/zinc/72/73/62/570727362.db2.gz WLUMHQSQNVSEBQ-UHFFFAOYSA-N 0 0 376.254 4.268 50 30 aggregator GIEARN COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1OC ZINC000000947376 570731358 /nfs/dbraw/zinc/73/13/58/570731358.db2.gz YUJLDZBYCHIBEQ-YSKGHYERSA-N 0 0 382.485 4.414 50 30 GIEARN Cc1ccc(C2=NN(C(=O)CNc3ccc(C#N)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000015122523 570739659 /nfs/dbraw/zinc/73/96/59/570739659.db2.gz KVXWZBNEHDHAGI-OAQYLSRUSA-N 0 0 384.439 4.250 50 30 GIEARN O=c1c2c3c(sc2ncn1/N=C/c1c(O)ccc2ccccc21)CCCC3 ZINC000000972475 570740932 /nfs/dbraw/zinc/74/09/32/570740932.db2.gz KYJMLIDDTUTNBT-FOKLQQMPSA-N 0 0 375.453 4.078 50 30 GIEARN Cc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000000976762 570742128 /nfs/dbraw/zinc/74/21/28/570742128.db2.gz QNBHKVKJIIJHCP-VXLYETTFSA-N 0 0 376.437 4.094 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C#N)c1C ZINC000000994680 570744056 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50 30 GIEARN CCOc1ccccc1NC(=O)c1cnc(N2CCOCC2)c2ccccc12 ZINC000033072987 570804237 /nfs/dbraw/zinc/80/42/37/570804237.db2.gz IGLRBSSKVFJJPR-UHFFFAOYSA-N 0 0 377.444 4.106 50 30 GIEARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccnc3)C2)cc1 ZINC000018222364 570811814 /nfs/dbraw/zinc/81/18/14/570811814.db2.gz GKRSXUWRKQNIDF-PGRDOPGGSA-N 0 0 385.471 4.212 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)SC(=Cc2ccccc2)C1=O ZINC000101584383 570826987 /nfs/dbraw/zinc/82/69/87/570826987.db2.gz MYNJWQBQNHNUHP-LFIBNONCSA-N 0 0 396.424 4.138 50 30 GIEARN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)CCCCC2 ZINC000012533703 570834946 /nfs/dbraw/zinc/83/49/46/570834946.db2.gz DQWXSHWGDHBUGO-UHFFFAOYSA-N 0 0 382.514 4.496 50 30 GIEARN N#Cc1cnn(-c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c1N ZINC000032815058 570835982 /nfs/dbraw/zinc/83/59/82/570835982.db2.gz SDKPSIFYODXOSJ-UHFFFAOYSA-N 0 0 395.422 4.371 50 30 GIEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(Br)c2)C1=O ZINC000004695939 570841415 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CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(F)c1 ZINC000170615206 570873833 /nfs/dbraw/zinc/87/38/33/570873833.db2.gz KLXNLCJBWBQLQU-RBBKRZOGSA-N 0 0 398.430 4.162 50 30 GIEARN N#Cc1nc(-c2cccc3ccccc32)oc1S(=O)(=O)Cc1ccccc1C#N ZINC000170623861 570881792 /nfs/dbraw/zinc/88/17/92/570881792.db2.gz OLIPRKPXFKGGHU-UHFFFAOYSA-N 0 0 399.431 4.212 50 30 GIEARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](C#N)C2)c(F)c1 ZINC000072429320 570881928 /nfs/dbraw/zinc/88/19/28/570881928.db2.gz IHRPOCJCKOFUGM-KRWDZBQOSA-N 0 0 390.462 4.423 50 30 GIEARN Cc1cc(-c2ccc(C(=O)N(C)CC[C@H]3CCCCO3)cc2)nc(C)c1C#N ZINC000584894356 570887292 /nfs/dbraw/zinc/88/72/92/570887292.db2.gz HERPBKONKLPEHY-HXUWFJFHSA-N 0 0 377.488 4.268 50 30 GIEARN Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cc2)cs1 ZINC000012614071 570890886 /nfs/dbraw/zinc/89/08/86/570890886.db2.gz XZKNSFHQHDXZNX-CQSZACIVSA-N 0 0 377.469 4.074 50 30 GIEARN COc1cc(/C=C/c2nc(C#N)c(N3C[C@H](C)C[C@@H](C)C3)o2)cc(OC)c1OC ZINC000016768451 570909657 /nfs/dbraw/zinc/90/96/57/570909657.db2.gz DQPKSIDCSPJFGR-WLBISTCBSA-N 0 0 397.475 4.225 50 30 GIEARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1C ZINC000007575922 570917207 /nfs/dbraw/zinc/91/72/07/570917207.db2.gz PSQUQTFRWLEGOD-RUZDIDTESA-N 0 0 395.462 4.171 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccccc1 ZINC000016737277 570932111 /nfs/dbraw/zinc/93/21/11/570932111.db2.gz CYUZJZNQIHIFKB-FQEVSTJZSA-N 0 0 377.440 4.240 50 30 GIEARN COc1cc(-c2c3c(nc(C)c2C#N)-c2ccccc2C3=O)cc(OC)c1OC ZINC000001241013 570948941 /nfs/dbraw/zinc/94/89/41/570948941.db2.gz SRQONWMBCRIYIH-UHFFFAOYSA-N 0 0 386.407 4.166 50 30 GIEARN C=CCN1C(=O)COc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 ZINC000012167730 570961149 /nfs/dbraw/zinc/96/11/49/570961149.db2.gz FVPCJMHHVHXXRH-UHFFFAOYSA-N 0 0 398.462 4.369 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccccc1 ZINC000050595882 570965702 /nfs/dbraw/zinc/96/57/02/570965702.db2.gz DQTNTMRNCWTXQL-UHFFFAOYSA-N 0 0 378.501 4.424 50 30 GIEARN COc1cc(C=NN2CN=NC2=S)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000252477798 570966264 /nfs/dbraw/zinc/96/62/64/570966264.db2.gz VQONVZFHMUSYLZ-UHFFFAOYSA-N 0 0 396.516 4.334 50 30 GIEARN C#CCOc1ccccc1CN(C)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000072274867 570970952 /nfs/dbraw/zinc/97/09/52/570970952.db2.gz VZHMDTWBISXLQH-UHFFFAOYSA-N 0 0 380.513 4.165 50 30 GIEARN C[C@@H]1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385967 570975483 /nfs/dbraw/zinc/97/54/83/570975483.db2.gz BKWVTRYXVJLGKQ-MRXNPFEDSA-N 0 0 399.425 4.279 50 30 GIEARN O=C(C=CNc1ccc(NC(=O)c2ccco2)cc1)c1ccc2c(c1)OCO2 ZINC000044842583 570979804 /nfs/dbraw/zinc/97/98/04/570979804.db2.gz VCBNKIVTUJREHZ-MDZDMXLPSA-N 0 0 376.368 4.069 50 30 GIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2c(F)cccc2Cl)cc1 ZINC000008970196 570994849 /nfs/dbraw/zinc/99/48/49/570994849.db2.gz XKPMYVNGYBSUQR-KEBDBYFISA-N 0 0 391.859 4.003 50 30 GIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccccc3)C(=O)N2CC)cc1 ZINC000252588853 570997549 /nfs/dbraw/zinc/99/75/49/570997549.db2.gz AFBGAKVDRFCDIJ-SPWCFMSMSA-N 0 0 380.469 4.487 50 30 GIEARN COc1ccc(C=Nc2ccc(N3CCOCC3)cc2)cc1Br ZINC000252589054 570997686 /nfs/dbraw/zinc/99/76/86/570997686.db2.gz AGMGWABWLIRSRB-UHFFFAOYSA-N 0 0 375.266 4.045 50 30 GIEARN Cc1cc(C)cc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2F)c1 ZINC000045939853 571001402 /nfs/dbraw/zinc/00/14/02/571001402.db2.gz DKCVTAWZMCEPOK-UHFFFAOYSA-N 0 0 376.435 4.236 50 30 GIEARN Brc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000252599902 571005087 /nfs/dbraw/zinc/00/50/87/571005087.db2.gz DMLBSWLSSJTCLQ-UHFFFAOYSA-N 0 0 393.248 4.024 50 30 GIEARN O=[N+]([O-])c1cccc(-c2ccc(C=NN3C(=S)N=NC3c3ccccc3)o2)c1 ZINC000252616092 571018492 /nfs/dbraw/zinc/01/84/92/571018492.db2.gz JWSXJLJZPZWYTF-UHFFFAOYSA-N 0 0 391.412 4.284 50 30 GIEARN Cc1ccc(-c2ccc(C=NN=C3NC(=O)[C@H](Cc4ccccc4)S3)o2)cc1 ZINC000252622077 571033927 /nfs/dbraw/zinc/03/39/27/571033927.db2.gz NOCJOAFKKLQBQD-FQEVSTJZSA-N 0 0 389.480 4.419 50 30 GIEARN Cc1ccc(S(=O)(=O)NN=C2CCCc3c4cc(Cl)ccc4[nH]c32)cc1 ZINC000252622377 571033945 /nfs/dbraw/zinc/03/39/45/571033945.db2.gz NUBIAMYIRQBKRF-UHFFFAOYSA-N 0 0 387.892 4.149 50 30 GIEARN C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C(C)C)cc3)C2)cc1 ZINC000003671997 571041750 /nfs/dbraw/zinc/04/17/50/571041750.db2.gz BXDAHCQUEITDEX-FQEVSTJZSA-N 0 0 392.499 4.362 50 30 GIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O ZINC000004386005 571041876 /nfs/dbraw/zinc/04/18/76/571041876.db2.gz NTAQSYUZXGIJGV-SFHVURJKSA-N 0 0 375.472 4.007 50 30 GIEARN C=CCc1c(C)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(N)c2c1C ZINC000004958084 571042687 /nfs/dbraw/zinc/04/26/87/571042687.db2.gz RDUVJIWYEPQTME-UHFFFAOYSA-N 0 0 382.445 4.384 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccc(C)c1 ZINC000005500252 571043907 /nfs/dbraw/zinc/04/39/07/571043907.db2.gz RDIWXDJNFGDRCS-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000095483553 571073905 /nfs/dbraw/zinc/07/39/05/571073905.db2.gz FYOSIYUKIQBEDK-JOCHJYFZSA-N 0 0 389.451 4.104 50 30 GIEARN C=CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000002292872 817383009 /nfs/dbraw/zinc/38/30/09/817383009.db2.gz GJKCDMKWUZZISP-NSHDSACASA-N 0 0 388.562 4.072 50 30 GIEARN COc1ccc(-c2c(C(F)(F)F)oc3cc(OCC#N)ccc3c2=O)cc1 ZINC000002411062 817387966 /nfs/dbraw/zinc/38/79/66/817387966.db2.gz TVOCEAHGIMBQMI-UHFFFAOYSA-N 0 0 375.302 4.390 50 30 GIEARN CCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000003108624 817417595 /nfs/dbraw/zinc/41/75/95/817417595.db2.gz NCXZHSRGQROOES-LTFXXXRZSA-N 0 0 386.529 4.150 50 30 GIEARN C=CCSc1nnc(-c2cccn(Cc3ccc(Cl)cc3)c2=O)n1CC ZINC000003133790 817418847 /nfs/dbraw/zinc/41/88/47/817418847.db2.gz NHPWDTQUWTWPMV-UHFFFAOYSA-N 0 0 386.908 4.107 50 30 GIEARN Cc1ccc(S(=O)(=O)OC(COc2ccccc2)COc2ccccc2)cc1 ZINC000003187387 817420243 /nfs/dbraw/zinc/42/02/43/817420243.db2.gz FHWFKAUEDNQWBY-UHFFFAOYSA-N 0 0 398.480 4.227 50 30 GIEARN CC(Cl)(Cl)C(=O)OC1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)CCC1 ZINC000003188860 817420276 /nfs/dbraw/zinc/42/02/76/817420276.db2.gz RURSLNXJDOJGRG-UHFFFAOYSA-N 0 0 390.244 4.389 50 30 GIEARN N#Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000003232585 817425349 /nfs/dbraw/zinc/42/53/49/817425349.db2.gz UWLLYNGCIJZMGL-SOFGYWHQSA-N 0 0 375.211 4.060 50 30 GIEARN COc1cc(/C=C/C(=O)OCc2cccc(C(F)(F)F)c2)ccc1OCC#N ZINC000003370099 817443363 /nfs/dbraw/zinc/44/33/63/817443363.db2.gz HIEFLIROKPVVTE-SOFGYWHQSA-N 0 0 391.345 4.373 50 30 GIEARN COc1ccccc1NC(=S)N/N=C/c1cccn1Cc1cccc(C)c1 ZINC000003587518 817489526 /nfs/dbraw/zinc/48/95/26/817489526.db2.gz VLLDFKDPBFVPKB-HYARGMPZSA-N 0 0 378.501 4.174 50 30 GIEARN COc1ccc(NC(=S)N/N=C/c2cccn2Cc2cccc(C)c2)cc1 ZINC000003587510 817489619 /nfs/dbraw/zinc/48/96/19/817489619.db2.gz YXNNRYPGRKJTRQ-HYARGMPZSA-N 0 0 378.501 4.174 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004061029 817500186 /nfs/dbraw/zinc/50/01/86/817500186.db2.gz MQXLSSHNODEDQZ-IFMALSPDSA-N 0 0 381.447 4.211 50 30 GIEARN COc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc2)cc1 ZINC000004975441 817544335 /nfs/dbraw/zinc/54/43/35/817544335.db2.gz DIMDHMNILJZXGX-UHFFFAOYSA-N 0 0 377.400 4.477 50 30 GIEARN Cc1ccc(-c2nn(CCC#N)cc2/C=C2/C(C)=NN(c3ccccc3)C2=O)o1 ZINC000005747356 817614537 /nfs/dbraw/zinc/61/45/37/817614537.db2.gz IAQAUFMJUNKOPU-UYRXBGFRSA-N 0 0 385.427 4.171 50 30 GIEARN O=C(/C=C/c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)c1cccnc1 ZINC000006047916 817644205 /nfs/dbraw/zinc/64/42/05/817644205.db2.gz SLPHWVDAYJLZNT-BUHFOSPRSA-N 0 0 379.419 4.394 50 30 GIEARN COc1ccc(-n2c(SC[C@@H](C)C#N)nnc2-c2cccc(OC)c2)cc1 ZINC000007988724 817976819 /nfs/dbraw/zinc/97/68/19/817976819.db2.gz BAHOELMCLKEGHN-AWEZNQCLSA-N 0 0 380.473 4.203 50 30 GIEARN CCc1ccc([C@@H](NC(=O)COc2ccccc2C#N)c2cccs2)cc1 ZINC000008062290 817991640 /nfs/dbraw/zinc/99/16/40/817991640.db2.gz UOUSYFDSQOOKKY-JOCHJYFZSA-N 0 0 376.481 4.467 50 30 GIEARN C=CCn1c(C)nn(CN2CCC[C@H](c3nc4ccccc4s3)C2)c1=S ZINC000008147081 818007312 /nfs/dbraw/zinc/00/73/12/818007312.db2.gz RDRRRKZXNMOPEA-HNNXBMFYSA-N 0 0 385.562 4.355 50 30 GIEARN N#Cc1cccc(NCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 ZINC000008192175 818015560 /nfs/dbraw/zinc/01/55/60/818015560.db2.gz JQHKTKCJPQFDHN-QGZVFWFLSA-N 0 0 392.509 4.471 50 30 GIEARN CCOc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(Cl)c1O ZINC000011334745 818073526 /nfs/dbraw/zinc/07/35/26/818073526.db2.gz WNEBKZCTVMHICL-VOTSOKGWSA-N 0 0 387.863 4.177 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012764662 818181237 /nfs/dbraw/zinc/18/12/37/818181237.db2.gz YYRYBOFRXWVOKH-IURSYISVSA-N 0 0 390.483 4.142 50 30 GIEARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N ZINC000012823082 818183951 /nfs/dbraw/zinc/18/39/51/818183951.db2.gz CNAZHCKKTMTVQN-UHFFFAOYSA-N 0 0 390.830 4.316 50 30 GIEARN COc1cccc(/C=C2\CN(C(C)C)C/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000020115306 818614000 /nfs/dbraw/zinc/61/40/00/818614000.db2.gz LWZRQFHVPQPEFT-WELBJSHPSA-N 0 0 377.484 4.464 50 30 GIEARN N#CC1(C#N)[C@H](c2ccccc2Cl)N[C@@H](c2ccccc2Cl)C1(C#N)C#N ZINC000020841545 818633968 /nfs/dbraw/zinc/63/39/68/818633968.db2.gz XIEYOUHIQAGYNM-ROUUACIJSA-N 0 0 392.249 4.446 50 30 GIEARN COc1cccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)c1 ZINC000032074877 820894425 /nfs/dbraw/zinc/89/44/25/820894425.db2.gz PUOMXTKZSLPCEC-UHFFFAOYSA-N 0 0 399.450 4.135 50 30 GIEARN COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3ccccc3)CC(=O)C21 ZINC000040266720 821155119 /nfs/dbraw/zinc/15/51/19/821155119.db2.gz OMQVGGPEDAVJDG-XOBRGWDASA-N 0 0 388.427 4.058 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccco3)CC(=O)O4)C2=O)cc1 ZINC000217661226 231030381 /nfs/dbraw/zinc/03/03/81/231030381.db2.gz LOMSSWFBGZSYEN-VXIUPONVSA-N 0 0 388.375 4.345 50 30 GIEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CCCC3 ZINC000005878335 203755434 /nfs/dbraw/zinc/75/54/34/203755434.db2.gz XOKNORRLBNQFIS-CYBMUJFWSA-N 0 0 376.547 4.184 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C ZINC000004814648 203755746 /nfs/dbraw/zinc/75/57/46/203755746.db2.gz SXTMUCYKIMULEU-ZDUSSCGKSA-N 0 0 385.518 4.015 50 30 GIEARN C=CCC(CC=C)(CNC(=O)C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000006745054 203758420 /nfs/dbraw/zinc/75/84/20/203758420.db2.gz JJPODSQRJLTMTN-UHFFFAOYSA-N 0 0 392.499 4.149 50 30 GIEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000000783756 203776864 /nfs/dbraw/zinc/77/68/64/203776864.db2.gz SPUPGXQHYOHJHJ-RUZDIDTESA-N 0 0 383.447 4.347 50 30 GIEARN C=CCN1C(=O)N[C@H](c2ccc(F)cc2F)C(C(=O)Nc2ccccc2)=C1C ZINC000014241584 203777070 /nfs/dbraw/zinc/77/70/70/203777070.db2.gz KUODXSCPUKOLLQ-LJQANCHMSA-N 0 0 383.398 4.130 50 30 GIEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000001320639 203778741 /nfs/dbraw/zinc/77/87/41/203778741.db2.gz SOMOMQPXZYOCLK-DEOSSOPVSA-N 0 0 377.484 4.367 50 30 GIEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1OC ZINC000217897635 203789783 /nfs/dbraw/zinc/78/97/83/203789783.db2.gz GUFBEPRJPWNXND-INIZCTEOSA-N 0 0 392.407 4.198 50 30 GIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O ZINC000012862177 203828045 /nfs/dbraw/zinc/82/80/45/203828045.db2.gz NMGLQCVYIGZBEB-NKVSQWTQSA-N 0 0 382.412 4.284 50 30 GIEARN CC[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001059675 203877673 /nfs/dbraw/zinc/87/76/73/203877673.db2.gz LQKVBZOLQQBYFL-HNNXBMFYSA-N 0 0 386.546 4.415 50 30 GIEARN Cc1ccccc1OC[C@H]1Cc2c(nc(-n3cccc3)c(C#N)c2-n2cccc2)O1 ZINC000001394219 203905307 /nfs/dbraw/zinc/90/53/07/203905307.db2.gz CTJNAOFWUVELIQ-GOSISDBHSA-N 0 0 396.450 4.226 50 30 GIEARN Cc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1 ZINC000002315759 203938058 /nfs/dbraw/zinc/93/80/58/203938058.db2.gz ZCNKCSXMIQPRCU-UHFFFAOYSA-N 0 0 380.407 4.100 50 30 GIEARN N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1N1CCOCC1 ZINC000002418632 203942997 /nfs/dbraw/zinc/94/29/97/203942997.db2.gz ACLJMBVYCCDWSD-UHFFFAOYSA-N 0 0 395.846 4.282 50 30 aggregator GIEARN CCOc1ccccc1NC(=S)N/N=C/c1cccn1Cc1ccccc1F ZINC000003051591 203983877 /nfs/dbraw/zinc/98/38/77/203983877.db2.gz SSIGMZTWNRLWBL-OEAKJJBVSA-N 0 0 396.491 4.395 50 30 GIEARN N#C[C@@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 ZINC000004325683 204038786 /nfs/dbraw/zinc/03/87/86/204038786.db2.gz VKHLNGZODADABB-QGZVFWFLSA-N 0 0 378.476 4.103 50 30 aggregator GIEARN CC1(C)Cc2c(sc3nc(SCC#N)n(C4CCCCC4)c(=O)c23)CO1 ZINC000004338771 204038987 /nfs/dbraw/zinc/03/89/87/204038987.db2.gz DTGOBGBWHBECIW-UHFFFAOYSA-N 0 0 389.546 4.430 50 30 GIEARN N#Cc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 ZINC000003419452 204005287 /nfs/dbraw/zinc/00/52/87/204005287.db2.gz SNXAGWHKEOISLD-UHFFFAOYSA-N 0 0 378.819 4.066 50 30 GIEARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(C#N)cc1 ZINC000003414182 204005853 /nfs/dbraw/zinc/00/58/53/204005853.db2.gz KUYSWWLBVPBFII-UHFFFAOYSA-N 0 0 390.270 4.356 50 30 GIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1 ZINC000004005491 204022275 /nfs/dbraw/zinc/02/22/75/204022275.db2.gz JMKJZHKMDUEINT-SMIHKQSGSA-N 0 0 377.484 4.394 50 30 GIEARN CN(C)c1ccc(/C=[NH+]/[N-]c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000004063855 204025547 /nfs/dbraw/zinc/02/55/47/204025547.db2.gz UODQZFLIFGJBOU-WSDLNYQXSA-N 0 0 390.468 4.429 50 30 GIEARN CCOC(=O)[C@H](Cc1ccccc1)C(=O)C/C=N/OCc1cccc(Cl)c1 ZINC000004091961 204026098 /nfs/dbraw/zinc/02/60/98/204026098.db2.gz SYMSVNZGWUIHPN-AOOMUMSASA-N 0 0 387.863 4.224 50 30 GIEARN C[C@@H]1CN(c2ncc(C=[NH+][N-]c3ccc(C(F)(F)F)cc3)s2)C[C@@H](C)O1 ZINC000004091799 204026196 /nfs/dbraw/zinc/02/61/96/204026196.db2.gz HYYWNEZYJFHABR-YQHMCWEBSA-N 0 0 384.427 4.222 50 30 GIEARN COc1ccc(Br)cc1/C=N/NC(=S)Nc1cccc(C)c1 ZINC000004231431 204032336 /nfs/dbraw/zinc/03/23/36/204032336.db2.gz VICUTUMEVWMFJC-VCHYOVAHSA-N 0 0 378.295 4.087 50 30 GIEARN CCN(CC)c1ccc2cc(/C(C)=[NH+]/[N-]c3ccc([N+](=O)[O-])cc3)c(=O)oc2c1 ZINC000004737904 204070605 /nfs/dbraw/zinc/07/06/05/204070605.db2.gz QWWCIXUZIHWQJR-HYARGMPZSA-N 0 0 394.431 4.384 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821520 204079795 /nfs/dbraw/zinc/07/97/95/204079795.db2.gz FAFGTHVVDLOHCM-GGAORHGYSA-N 0 0 393.483 4.081 50 30 GIEARN O=S(=O)(N=C(NC1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 ZINC000004867470 204084470 /nfs/dbraw/zinc/08/44/70/204084470.db2.gz MCJHTOHYXVYODH-UHFFFAOYSA-N 0 0 376.909 4.398 50 30 GIEARN COc1cccc(/C=C2\CS/C(=C\c3cccc(OC)c3OC)C2=O)c1OC ZINC000004882789 204086018 /nfs/dbraw/zinc/08/60/18/204086018.db2.gz IYOLNAKAKRBTKQ-DPYYQBSUSA-N 0 0 398.480 4.461 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000004888990 204086883 /nfs/dbraw/zinc/08/68/83/204086883.db2.gz DRNMDCULEAJLAY-JCAVJTNVSA-N 0 0 385.464 4.078 50 30 GIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccs1 ZINC000004905512 204088439 /nfs/dbraw/zinc/08/84/39/204088439.db2.gz OEBCHRRLHPZMGX-MRXNPFEDSA-N 0 0 391.514 4.203 50 30 GIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914446 204090984 /nfs/dbraw/zinc/09/09/84/204090984.db2.gz BLFRDMHUCWXCLL-CRAIPNDOSA-N 0 0 379.431 4.229 50 30 GIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)c1 ZINC000004916354 204091083 /nfs/dbraw/zinc/09/10/83/204091083.db2.gz FDUMTOBNHJXEAS-LPHOPBHVSA-N 0 0 391.467 4.017 50 30 GIEARN CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436333 204046119 /nfs/dbraw/zinc/04/61/19/204046119.db2.gz VTZLRCVRHOIKFO-QGZVFWFLSA-N 0 0 384.505 4.057 50 30 GIEARN CCOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000004561169 204052834 /nfs/dbraw/zinc/05/28/34/204052834.db2.gz JOWHLVYTVNILOE-KGENOOAVSA-N 0 0 389.293 4.435 50 30 GIEARN Oc1csc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)n1 ZINC000004592195 204056133 /nfs/dbraw/zinc/05/61/33/204056133.db2.gz RLRMCEJTTYQEAH-DNTJNYDQSA-N 0 0 394.283 4.125 50 30 GIEARN COc1ccccc1/C=N/Nc1ncc(-c2cc3ccccc3oc2=O)s1 ZINC000004599219 204056440 /nfs/dbraw/zinc/05/64/40/204056440.db2.gz QDDJJMAEWQLCSS-SSDVNMTOSA-N 0 0 377.425 4.371 50 30 GIEARN N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1 ZINC000004691583 204064768 /nfs/dbraw/zinc/06/47/68/204064768.db2.gz DIKNWXWXZZUNOE-ZHACJKMWSA-N 0 0 378.482 4.354 50 30 GIEARN O=C(/C=C/c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccccc1 ZINC000005172515 204117083 /nfs/dbraw/zinc/11/70/83/204117083.db2.gz GBXABAISMGABCD-MDWZMJQESA-N 0 0 398.374 4.292 50 30 GIEARN CCc1ccc(C(=O)On2c(=O)c3ccccc3nc2-c2ccccc2F)cc1 ZINC000005199897 204117527 /nfs/dbraw/zinc/11/75/27/204117527.db2.gz HGEDZSXSLQPYSZ-UHFFFAOYSA-N 0 0 388.398 4.034 50 30 GIEARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1ccco1 ZINC000005006133 204102305 /nfs/dbraw/zinc/10/23/05/204102305.db2.gz JTVCILGPGCGIMM-UHFFFAOYSA-N 0 0 389.496 4.185 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@@H]1c1ccccc1 ZINC000005351708 204127828 /nfs/dbraw/zinc/12/78/28/204127828.db2.gz BEQXREGMMATMGD-OAQYLSRUSA-N 0 0 396.450 4.102 50 30 GIEARN C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1 ZINC000005047100 204107320 /nfs/dbraw/zinc/10/73/20/204107320.db2.gz NBEZILFAOYZIGB-GXNCNPHTSA-N 0 0 399.541 4.209 50 30 GIEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cc(Cl)ccc1O ZINC000005445822 204132599 /nfs/dbraw/zinc/13/25/99/204132599.db2.gz XUWKQKHYOBZSEJ-AUEPDCJTSA-N 0 0 376.803 4.483 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000005562339 204140803 /nfs/dbraw/zinc/14/08/03/204140803.db2.gz KNNOOSLGQLFSIL-QGZVFWFLSA-N 0 0 398.256 4.213 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)cc1 ZINC000006819670 204212667 /nfs/dbraw/zinc/21/26/67/204212667.db2.gz ZICRGFIMPXXPPD-YJBOKZPZSA-N 0 0 381.859 4.353 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1cccc(Cl)c1 ZINC000006222235 204171342 /nfs/dbraw/zinc/17/13/42/204171342.db2.gz PHNSNVNCVAXHHV-IXJMWADBSA-N 0 0 378.284 4.158 50 30 GIEARN N#Cc1cccc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1 ZINC000006473997 204180565 /nfs/dbraw/zinc/18/05/65/204180565.db2.gz LLSBUGYCISTWKB-UHFFFAOYSA-N 0 0 385.449 4.023 50 30 GIEARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1sccc1C#N ZINC000006605667 204186993 /nfs/dbraw/zinc/18/69/93/204186993.db2.gz SLYLHAYAHPLXTI-HXUWFJFHSA-N 0 0 391.496 4.095 50 30 GIEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000006658600 204189672 /nfs/dbraw/zinc/18/96/72/204189672.db2.gz GMLFDFZNFDVYMF-SZNDQCEHSA-N 0 0 392.409 4.280 50 30 GIEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000006677863 204192309 /nfs/dbraw/zinc/19/23/09/204192309.db2.gz FTWLVZLRAUSHFF-SFHVURJKSA-N 0 0 396.516 4.223 50 30 GIEARN N#Cc1cccc(CSc2nnc(N3CCCCC3)n2-c2ccccc2)c1 ZINC000007072226 204232844 /nfs/dbraw/zinc/23/28/44/204232844.db2.gz KWMLSGCICRIXCW-UHFFFAOYSA-N 0 0 375.501 4.422 50 30 GIEARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000007060935 204232954 /nfs/dbraw/zinc/23/29/54/204232954.db2.gz KPWDEMQXPCZNRZ-UHFFFAOYSA-N 0 0 382.876 4.437 50 30 GIEARN N#Cc1c(NC(=O)CN(Cc2ccco2)Cc2cccs2)sc2c1CCC2 ZINC000007580618 204243805 /nfs/dbraw/zinc/24/38/05/204243805.db2.gz HMISGYUZKCDKKX-UHFFFAOYSA-N 0 0 397.525 4.404 50 30 GIEARN CCOc1cc(/C=C/C(=O)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000007745523 204248957 /nfs/dbraw/zinc/24/89/57/204248957.db2.gz BGZFCPFKYUOOFN-ZZXKWVIFSA-N 0 0 376.355 4.354 50 30 GIEARN C=C1c2ccccc2N=C(SCC(=O)Nc2ccc(C#N)c(Cl)c2)N1C ZINC000007736867 204249108 /nfs/dbraw/zinc/24/91/08/204249108.db2.gz OCVFCJHKMRWMHD-UHFFFAOYSA-N 0 0 382.876 4.487 50 30 GIEARN Cc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)c(Br)c1 ZINC000007856173 204253431 /nfs/dbraw/zinc/25/34/31/204253431.db2.gz LOPVAFJGYWJLGP-UHFFFAOYSA-N 0 0 379.641 4.300 50 30 GIEARN Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3sc4c(c3C#N)CCC4)cc2c1C ZINC000007982801 204257282 /nfs/dbraw/zinc/25/72/82/204257282.db2.gz ZPQBGHJUAMNEGT-UHFFFAOYSA-N 0 0 393.468 4.002 50 30 GIEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2c3ccccc3C[C@H]2C)c1C#N ZINC000008779703 204290137 /nfs/dbraw/zinc/29/01/37/204290137.db2.gz PTIIJFMDXNJVAT-OAHLLOKOSA-N 0 0 388.471 4.008 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccnc2)cc1 ZINC000008991289 204295362 /nfs/dbraw/zinc/29/53/62/204295362.db2.gz MNABFAAQOJFUDX-KKSFZXQISA-N 0 0 387.439 4.345 50 30 GIEARN N#Cc1ccccc1OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000008263574 204268136 /nfs/dbraw/zinc/26/81/36/204268136.db2.gz CNKUSBXMEPYHHD-MRXNPFEDSA-N 0 0 393.493 4.438 50 30 GIEARN CCCCCCCCn1c(SC/C=C(\C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000008434864 204276961 /nfs/dbraw/zinc/27/69/61/204276961.db2.gz ZPYDXLSKIUPCMR-JLHYYAGUSA-N 0 0 398.960 4.019 50 30 GIEARN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccs2)cc1 ZINC000010036995 204328390 /nfs/dbraw/zinc/32/83/90/204328390.db2.gz GOXZLNRKQDELKF-LJQANCHMSA-N 0 0 383.517 4.231 50 30 GIEARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(C#N)c2)c(OC)c1 ZINC000010950765 204340258 /nfs/dbraw/zinc/34/02/58/204340258.db2.gz QJACNCAOPVWGGU-QFIPXVFZSA-N 0 0 385.423 4.347 50 30 GIEARN N#Cc1ccccc1CSc1nnc(N2CCCCC2)n1Cc1ccco1 ZINC000011485027 204346547 /nfs/dbraw/zinc/34/65/47/204346547.db2.gz QOJXPZQFMZHMEL-UHFFFAOYSA-N 0 0 379.489 4.074 50 30 GIEARN C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 ZINC000003413840 204368461 /nfs/dbraw/zinc/36/84/61/204368461.db2.gz KPLJRAWCNXJELZ-WFASDCNBSA-N 0 0 389.546 4.115 50 30 GIEARN C=CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc(-c2ccccc2)cs1 ZINC000003558703 205076010 /nfs/dbraw/zinc/07/60/10/205076010.db2.gz ZOXUDANYCVUJLB-IBGZPJMESA-N 0 0 378.453 4.169 50 30 GIEARN CCOc1ccccc1-c1nc(CC(=O)N(C)c2cccc(C#N)c2)cs1 ZINC000058011070 205162234 /nfs/dbraw/zinc/16/22/34/205162234.db2.gz UVGNZONFOSTJFJ-UHFFFAOYSA-N 0 0 377.469 4.286 50 30 GIEARN N#Cc1cccc(NC(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)c1 ZINC000058441217 205177028 /nfs/dbraw/zinc/17/70/28/205177028.db2.gz VLNUAPHIHIUWSI-UHFFFAOYSA-N 0 0 390.439 4.244 50 30 GIEARN N#Cc1cccnc1N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067755862 205258215 /nfs/dbraw/zinc/25/82/15/205258215.db2.gz GEZFOLZVAIEXTH-UHFFFAOYSA-N 0 0 377.831 4.378 50 30 GIEARN N#Cc1ccccc1-c1ccc(CN2CCc3nc[nH]c3[C@@H]2c2cccnc2)o1 ZINC000067473326 205248194 /nfs/dbraw/zinc/24/81/94/205248194.db2.gz RVJCZLAAHMWLJG-QHCPKHFHSA-N 0 0 381.439 4.084 50 30 GIEARN COc1cccc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)c1OC ZINC000071416160 205282931 /nfs/dbraw/zinc/28/29/31/205282931.db2.gz GWUDHLZPHFNDAD-UHFFFAOYSA-N 0 0 385.345 4.304 50 30 GIEARN N#Cc1ccc(/C=C\C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000096545086 205569532 /nfs/dbraw/zinc/56/95/32/205569532.db2.gz SZXWWCHKPKDCIO-YVMONPNESA-N 0 0 375.409 4.062 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000097104880 205584557 /nfs/dbraw/zinc/58/45/57/205584557.db2.gz AJMBZEDJAUXCQF-DENIHFKCSA-N 0 0 398.430 4.162 50 30 GIEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000002734209 205722944 /nfs/dbraw/zinc/72/29/44/205722944.db2.gz OEEFONJJIKCDCM-YVLHZVERSA-N 0 0 389.411 4.061 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4ccc(O)cc4)nn3[C@@H](c3ccccc3Cl)C12 ZINC000004279852 205741886 /nfs/dbraw/zinc/74/18/86/205741886.db2.gz YUVGAGBCVHWDID-IBGZPJMESA-N 0 0 392.846 4.326 50 30 GIEARN C[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000003344181 205815221 /nfs/dbraw/zinc/81/52/21/205815221.db2.gz UAOXSFPNIFNWGC-JTQLQIEISA-N 0 0 379.641 4.380 50 30 GIEARN N#Cc1ccc(C(=O)N2CCS[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000217643735 205940124 /nfs/dbraw/zinc/94/01/24/205940124.db2.gz ZLSZJBYNZUNMPB-KRWDZBQOSA-N 0 0 378.375 4.345 50 30 GIEARN Cc1nnc(NCc2cn(-c3ccccc3)nc2-c2ccccc2)c(C#N)c1C ZINC000024054516 205975363 /nfs/dbraw/zinc/97/53/63/205975363.db2.gz CTFUARYEUOJBEG-UHFFFAOYSA-N 0 0 380.455 4.430 50 30 GIEARN Cc1cc(C)c([C@@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)c(C)c1 ZINC000003764811 206213663 /nfs/dbraw/zinc/21/36/63/206213663.db2.gz FSTLQOZBIPADHC-AREMUKBSSA-N 0 0 380.487 4.480 50 30 GIEARN COc1cc(C#N)ccc1OC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000006310175 220928911 /nfs/dbraw/zinc/92/89/11/220928911.db2.gz PFKQXLDJODNAQQ-UHFFFAOYSA-N 0 0 389.407 4.130 50 30 GIEARN C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1ccc(C#N)cc1)OCCO3 ZINC000010368485 221101664 /nfs/dbraw/zinc/10/16/64/221101664.db2.gz LIDLSKGVKNXCNV-INIZCTEOSA-N 0 0 388.467 4.358 50 30 GIEARN COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408943898 533471411 /nfs/dbraw/zinc/47/14/11/533471411.db2.gz SQZPQFYHVLKFKN-VIZOYTHASA-N 0 0 375.783 4.383 50 30 GIEARN N#Cc1ccc(N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 ZINC000058160138 136154743 /nfs/dbraw/zinc/15/47/43/136154743.db2.gz LFBSGHBMOUEXGT-HNNXBMFYSA-N 0 0 393.378 4.040 50 30 GIEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000065034357 136159017 /nfs/dbraw/zinc/15/90/17/136159017.db2.gz YLZXSOLGCHFDIW-UHFFFAOYSA-N 0 0 396.922 4.379 50 30 GIEARN COc1cccc(OC)c1OC1CCN(c2cc(C#N)nc3ccccc32)CC1 ZINC000170642768 136199234 /nfs/dbraw/zinc/19/92/34/136199234.db2.gz YJZJLJSVLAONRR-UHFFFAOYSA-N 0 0 389.455 4.171 50 30 GIEARN COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccccc2)cc1 ZINC000055439952 222021826 /nfs/dbraw/zinc/02/18/26/222021826.db2.gz FOWLYWQEJKGHDY-LIMMBSDMSA-N 0 0 399.494 4.462 50 30 GIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331289 518329898 /nfs/dbraw/zinc/32/98/98/518329898.db2.gz ZCKIERZHBUCJDI-GOSISDBHSA-N 0 0 377.831 4.012 50 30 GIEARN C(=NN=c1[nH]c2ccccc2s1)c1cccn1CCCOc1ccccc1 ZINC000004671874 518376301 /nfs/dbraw/zinc/37/63/01/518376301.db2.gz GZQJWTRXSIOWAC-CJLVFECKSA-N 0 0 376.485 4.435 50 30 GIEARN C(=NN=c1cc(N2CCCCCC2)[nH]c(N2CCCCCC2)n1)c1ccncc1 ZINC000004119297 518377308 /nfs/dbraw/zinc/37/73/08/518377308.db2.gz GEMSGFRQNIECHO-HKOYGPOVSA-N 0 0 393.539 4.078 50 30 GIEARN C=C(C)Cn1c2scc(CC(C)C)c2c2nc(Cc3ccccc3)nn2c1=O ZINC000032103268 518640293 /nfs/dbraw/zinc/64/02/93/518640293.db2.gz GCPPXSFEGSXUJJ-UHFFFAOYSA-N 0 0 392.528 4.471 50 30 GIEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)CC(C)C ZINC000035767167 518745459 /nfs/dbraw/zinc/74/54/59/518745459.db2.gz UQSPKZWTFNATHG-UHFFFAOYSA-N 0 0 386.467 4.008 50 30 GIEARN C=CCN(CC=C)C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000012604560 518764578 /nfs/dbraw/zinc/76/45/78/518764578.db2.gz GREOOZSGDAKBDR-UHFFFAOYSA-N 0 0 393.512 4.327 50 30 GIEARN C=CCN(CC=C)C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000028228107 518766959 /nfs/dbraw/zinc/76/69/59/518766959.db2.gz NCXJXUXFJMTKNI-UHFFFAOYSA-N 0 0 376.250 4.435 50 30 GIEARN C=CCNC(=S)N=NCc1ccc(OCc2ccccc2F)c(OCC)c1 ZINC000033606435 518822692 /nfs/dbraw/zinc/82/26/92/518822692.db2.gz OJIXHHGUOYJLCB-YDZHTSKRSA-N 0 0 387.480 4.199 50 30 GIEARN C=CCN1C(=O)/C(=C\c2c[nH]c3ccc(OC)cc23)S/C1=N\c1nccs1 ZINC000013721904 518829764 /nfs/dbraw/zinc/82/97/64/518829764.db2.gz CYQGCLBSQDINEW-ZUJMPGSOSA-N 0 0 396.497 4.423 50 30 GIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(F)c3)c(OC)c2)n1 ZINC000034712391 518947280 /nfs/dbraw/zinc/94/72/80/518947280.db2.gz YBRGUGMUVAOZFO-UHFFFAOYSA-N 0 0 398.459 4.453 50 30 GIEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cn(CCc2ccccc2)nn1 ZINC000012058607 519118419 /nfs/dbraw/zinc/11/84/19/519118419.db2.gz MKNWUSQNKFSRBH-SFTDATJTSA-N 0 0 376.504 4.202 50 30 GIEARN C=CCc1ccc(OCCn2c3ccccc3nc2CN2CCCC2)c(OC)c1 ZINC000021785134 519139987 /nfs/dbraw/zinc/13/99/87/519139987.db2.gz NJXHBBOYYJBTOT-UHFFFAOYSA-N 0 0 391.515 4.448 50 30 GIEARN C=CCn1c(CC(=O)Nc2ccccc2C)nnc1SCc1ccc(F)cc1 ZINC000009327878 519175606 /nfs/dbraw/zinc/17/56/06/519175606.db2.gz FMOUTCIXCZGQKN-UHFFFAOYSA-N 0 0 396.491 4.385 50 30 GIEARN C=CCn1c(Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)n[nH]c1=S ZINC000024830297 519194345 /nfs/dbraw/zinc/19/43/45/519194345.db2.gz BHOCBGMMWLHQGI-UHFFFAOYSA-N 0 0 391.909 4.080 50 30 GIEARN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1C1CCCCC1 ZINC000003485657 519209716 /nfs/dbraw/zinc/20/97/16/519209716.db2.gz XTRDEXNKQZAJEI-MRXNPFEDSA-N 0 0 384.549 4.481 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2sc(CC)cc2c1=O ZINC000000909630 519216459 /nfs/dbraw/zinc/21/64/59/519216459.db2.gz WQTRRLCOBFAKKZ-UHFFFAOYSA-N 0 0 399.541 4.246 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1C1CCCCC1 ZINC000006628334 519225706 /nfs/dbraw/zinc/22/57/06/519225706.db2.gz GREYLJFXMDBXGN-UHFFFAOYSA-N 0 0 386.521 4.251 50 30 GIEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000003289314 519239913 /nfs/dbraw/zinc/23/99/13/519239913.db2.gz CDCMVYNTPKERLD-GOSISDBHSA-N 0 0 383.448 4.408 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2F)nnc1-c1ccccc1 ZINC000004285664 519251483 /nfs/dbraw/zinc/25/14/83/519251483.db2.gz RPDQOTBOZFKDSK-AWEZNQCLSA-N 0 0 382.464 4.390 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccccc1 ZINC000004816267 519257941 /nfs/dbraw/zinc/25/79/41/519257941.db2.gz AMDLXQODPHIHQI-CYBMUJFWSA-N 0 0 385.518 4.015 50 30 GIEARN CCNC(=S)N/N=C/c1ccccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000004591167 519902407 /nfs/dbraw/zinc/90/24/07/519902407.db2.gz IJMGLSIJMGQTQX-LFVJCYFKSA-N 0 0 399.560 4.260 50 30 GIEARN CCNC(=S)N/N=C/c1cccc(OCCOc2ccc(C(C)(C)C)cc2)c1 ZINC000004599900 519902930 /nfs/dbraw/zinc/90/29/30/519902930.db2.gz DRWKDGAYRSIJQD-LFVJCYFKSA-N 0 0 399.560 4.260 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(OC)cc2)c1=O ZINC000097474803 520277465 /nfs/dbraw/zinc/27/74/65/520277465.db2.gz JJVWKLSBJPZHBQ-WDZFZDKYSA-N 0 0 388.261 4.146 50 30 GIEARN CCCCN(C)CN1c2ccccc2/C(=N\c2ccc(C(=O)OCC)cc2)C1=O ZINC000034872199 520410140 /nfs/dbraw/zinc/41/01/40/520410140.db2.gz CRTCIGSFPRDSBP-DARPEHSRSA-N 0 0 393.487 4.020 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(F)c2O)C1=O ZINC000036258411 520539436 /nfs/dbraw/zinc/53/94/36/520539436.db2.gz NTQLESQSDLBDJT-RVDMUPIBSA-N 0 0 385.416 4.075 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000103098390 520556537 /nfs/dbraw/zinc/55/65/37/520556537.db2.gz UGLDBWLEYXAIPN-WOOAAIBNSA-N 0 0 383.419 4.056 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009363628 520557784 /nfs/dbraw/zinc/55/77/84/520557784.db2.gz DJYNMGKJJTVXON-HXUWFJFHSA-N 0 0 395.455 4.082 50 30 GIEARN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCC#N ZINC000085382185 520635475 /nfs/dbraw/zinc/63/54/75/520635475.db2.gz LDILWQXGJLSRBW-AQTBWJFISA-N 0 0 379.441 4.070 50 30 GIEARN CCOc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2CC)cc1 ZINC000013424089 520860859 /nfs/dbraw/zinc/86/08/59/520860859.db2.gz FZKXGIBVTLKGSE-GLEDVZQVSA-N 0 0 397.500 4.066 50 30 GIEARN CCN(CC)c1ccc(/C=N/N=C2\SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000013551626 520883819 /nfs/dbraw/zinc/88/38/19/520883819.db2.gz RKFUISVCACQXOW-BXWNHYELSA-N 0 0 380.517 4.311 50 30 GIEARN CCOc1ccc(NC(=NS(=O)(=O)c2cccs2)c2ccccc2)cc1 ZINC000005526392 521031961 /nfs/dbraw/zinc/03/19/61/521031961.db2.gz QDHOMJWHQUJLAH-UHFFFAOYSA-N 0 0 386.498 4.394 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1c(OC)cccc1OC ZINC000328597035 521276996 /nfs/dbraw/zinc/27/69/96/521276996.db2.gz CRNJMZDKUJREBA-LAUBAEHRSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3cccc(Cl)c3)SC2)c1C ZINC000005864332 521383844 /nfs/dbraw/zinc/38/38/44/521383844.db2.gz RNMBUROXTFEIFD-UHFFFAOYSA-N 0 0 390.896 4.190 50 30 GIEARN CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)c1 ZINC000013424110 521394979 /nfs/dbraw/zinc/39/49/79/521394979.db2.gz KUWVLSMHCZTJSK-NKWDDMGQSA-N 0 0 397.500 4.066 50 30 GIEARN COc1cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)cc(OC)c1OC ZINC000016976170 521968792 /nfs/dbraw/zinc/96/87/92/521968792.db2.gz GTQNBKDNIMTSMW-WQRHYEAKSA-N 0 0 398.484 4.221 50 30 GIEARN COc1cc(/C=C\C(=O)N2CCCSc3ccccc32)ccc1OCC#N ZINC000096822538 521978450 /nfs/dbraw/zinc/97/84/50/521978450.db2.gz KBUWPWPJBUZAPE-NTMALXAHSA-N 0 0 380.469 4.140 50 30 GIEARN CC[C@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)cc1 ZINC000017077890 522038143 /nfs/dbraw/zinc/03/81/43/522038143.db2.gz HSWPXAXWKUKCRX-HLBVEJKMSA-N 0 0 380.897 4.262 50 30 GIEARN COc1cc(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1O ZINC000015013269 522531086 /nfs/dbraw/zinc/53/10/86/522531086.db2.gz XRULFBOSCZKROQ-VGOFMYFVSA-N 0 0 378.812 4.085 50 30 GIEARN CNc1ccc(/C=C\C(=O)c2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] ZINC000097992364 522577894 /nfs/dbraw/zinc/57/78/94/522577894.db2.gz DBNJCELBAMAQPD-DAXSKMNVSA-N 0 0 378.331 4.143 50 30 GIEARN COc1ccc(-c2csc(C3=C(N)N([C@@H](C)c4ccccc4)CC3=O)n2)cc1 ZINC000034769439 523162126 /nfs/dbraw/zinc/16/21/26/523162126.db2.gz LIBYCQYIGHIJSI-AWEZNQCLSA-N 0 0 391.496 4.092 50 30 GIEARN COCCCN(CCC#N)C(=O)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000003126505 523239910 /nfs/dbraw/zinc/23/99/10/523239910.db2.gz LQNBCBJYEOEPTL-UHFFFAOYSA-N 0 0 396.274 4.349 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1Br ZINC000013137334 523403213 /nfs/dbraw/zinc/40/32/13/523403213.db2.gz DEBQMKJVXSCFKA-GORDUTHDSA-N 0 0 375.218 4.125 50 30 GIEARN COc1ccc(/C=C2\CN(C(C)C)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000020470068 523419959 /nfs/dbraw/zinc/41/99/59/523419959.db2.gz KBLAWEKNXODCJI-KVVJQUGZSA-N 0 0 377.484 4.464 50 30 GIEARN COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1Cn1nnc2ccccc21 ZINC000033414203 523435825 /nfs/dbraw/zinc/43/58/25/523435825.db2.gz ABOVCHMGGVPUAX-SDQBBNPISA-N 0 0 385.423 4.090 50 30 GIEARN COc1ccc(C=NNc2ccccc2C)cc1CN1C(=O)c2ccccc2C1=O ZINC000004805184 523446543 /nfs/dbraw/zinc/44/65/43/523446543.db2.gz PTJXVAAELUXHPU-AFUMVMLFSA-N 0 0 399.450 4.246 50 30 GIEARN COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1ccc(Cl)cc1C ZINC000002791895 523458914 /nfs/dbraw/zinc/45/89/14/523458914.db2.gz SFSQOSUBWCEPJM-ZVBGSRNCSA-N 0 0 388.880 4.372 50 30 GIEARN COc1ccc(C(=O)Nc2cccc(/C=C3/Oc4cc(O)ccc4C3=O)c2)cc1 ZINC000098002045 523756107 /nfs/dbraw/zinc/75/61/07/523756107.db2.gz JRYADLPEABVMHX-CIAFOILYSA-N 0 0 387.391 4.269 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102861936 523790868 /nfs/dbraw/zinc/79/08/68/523790868.db2.gz RTKNLHPGJFSJMS-GHNGSUTGSA-N 0 0 399.512 4.114 50 30 GIEARN COc1ccc(CCNC(=S)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000013497337 523914475 /nfs/dbraw/zinc/91/44/75/523914475.db2.gz CQMPOIUZHXUTKM-UHFFFAOYSA-N 0 0 398.572 4.487 50 30 GIEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1 ZINC000013482285 524040658 /nfs/dbraw/zinc/04/06/58/524040658.db2.gz RQSVSQADLPEUCB-OTPBECDQSA-N 0 0 390.483 4.480 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCC(C)CC2)C1=O ZINC000016810046 524322516 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O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@H](c3ccccn3)C12 ZINC000020717453 527031879 /nfs/dbraw/zinc/03/18/79/527031879.db2.gz KWKVRDJQYOZDLC-KZULUSFZSA-N 0 0 393.834 4.098 50 30 GIEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000011955432 527113940 /nfs/dbraw/zinc/11/39/40/527113940.db2.gz MMKWGOXIOOLYTC-SJLPKXTDSA-N 0 0 390.487 4.196 50 30 GIEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNCCc1ccccc1 ZINC000100392298 527121182 /nfs/dbraw/zinc/12/11/82/527121182.db2.gz SYPJVHBGGGZURQ-UVTDQMKNSA-N 0 0 377.669 4.384 50 30 GIEARN O=S(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F ZINC000033354292 527297057 /nfs/dbraw/zinc/29/70/57/527297057.db2.gz AEGJOYZAOJDXLG-UHFFFAOYSA-N 0 0 382.178 4.244 50 30 GIEARN O=C(Cc1nc2cc(Cl)ccc2oc1=O)c1ccc(Br)cc1 ZINC000100820654 527651618 /nfs/dbraw/zinc/65/16/18/527651618.db2.gz CCNFOAIANOOKAX-MDWZMJQESA-N 0 0 378.609 4.200 50 30 GIEARN FC(F)(F)CO[C@](F)(Br)[C@](F)(Br)C(F)(F)F ZINC000095676702 527672057 /nfs/dbraw/zinc/67/20/57/527672057.db2.gz 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/nfs/dbraw/zinc/23/75/68/570237568.db2.gz QRXGQRAISQKUQK-AWQFTUOYSA-N 0 0 384.215 4.210 50 30 GIEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccnc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000001057499 570239495 /nfs/dbraw/zinc/23/94/95/570239495.db2.gz MBVBYUABXBKUHZ-NJYVYQBISA-N 0 0 382.467 4.098 50 30 GIEARN Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1 ZINC000001105539 570241861 /nfs/dbraw/zinc/24/18/61/570241861.db2.gz DWIMQCUOPJELQO-NGYBGAFCSA-N 0 0 383.658 4.320 50 30 GIEARN C=CCOc1ccc([C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C3=C2C(=O)OC3)cc1 ZINC000035143168 570242065 /nfs/dbraw/zinc/24/20/65/570242065.db2.gz YEEYISLZGPAJPO-FQEVSTJZSA-N 0 0 389.451 4.200 50 30 GIEARN COc1cc(C(=O)C=CNc2ccc(Br)cc2)cc(OC)c1OC ZINC000001139134 570247355 /nfs/dbraw/zinc/24/73/55/570247355.db2.gz BXEHVILYISKBQR-CMDGGOBGSA-N 0 0 392.249 4.283 50 30 GIEARN N#CCCn1cc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)c2ccccc21 ZINC000020265843 570250796 /nfs/dbraw/zinc/25/07/96/570250796.db2.gz MEECEOLMYUVBFG-CPNJWEJPSA-N 0 0 394.500 4.035 50 30 GIEARN C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000001147484 570251169 /nfs/dbraw/zinc/25/11/69/570251169.db2.gz YRGCRLHKRGIBGK-PDGQHHTCSA-N 0 0 396.424 4.396 50 30 GIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000002231067 570252764 /nfs/dbraw/zinc/25/27/64/570252764.db2.gz PKGKRUDZAQUYOZ-UHFFFAOYSA-N 0 0 398.557 4.464 50 30 GIEARN S=C1N=NC(c2ccncc2)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000001475280 570264194 /nfs/dbraw/zinc/26/41/94/570264194.db2.gz SSQMHZBUNVIYRK-OEAKJJBVSA-N 0 0 387.468 4.090 50 30 GIEARN CCOc1ccc(OC[C@@H](O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000012847211 570265181 /nfs/dbraw/zinc/26/51/81/570265181.db2.gz SEHBDQNBVQDUGE-NRFANRHFSA-N 0 0 389.451 4.443 50 30 GIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OC)c1 ZINC000002055479 570272827 /nfs/dbraw/zinc/27/28/27/570272827.db2.gz VEXBOZGMPIUJQC-NRFANRHFSA-N 0 0 399.487 4.102 50 30 GIEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(C(F)(F)F)cc1)CCCC3 ZINC000002123588 570275247 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Fc1ccccc1COc1ccc(C=NNC(=S)NCc2ccccc2)cc1 ZINC000015990028 570304393 /nfs/dbraw/zinc/30/43/93/570304393.db2.gz AUGZUHDWHQVHGW-UHFFFAOYSA-N 0 0 393.487 4.403 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000002844408 570307796 /nfs/dbraw/zinc/30/77/96/570307796.db2.gz OTAYBVMRRAFUDU-RNODOKPDSA-N 0 0 383.469 4.266 50 30 GIEARN C=C(C)CN(CC)C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000072295270 570321034 /nfs/dbraw/zinc/32/10/34/570321034.db2.gz LQPDEFJQZDIZNW-UHFFFAOYSA-N 0 0 388.309 4.162 50 30 GIEARN O=C(NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138646 570330685 /nfs/dbraw/zinc/33/06/85/570330685.db2.gz MEXPAWXPCUDHKO-UHFFFAOYSA-N 0 0 380.263 4.489 50 30 GIEARN CCOC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)c1C#N ZINC000000796129 570337129 /nfs/dbraw/zinc/33/71/29/570337129.db2.gz DCDCELLMSARZJR-UHFFFAOYSA-N 0 0 396.390 4.303 50 30 GIEARN CCCOc1ccc(C=NN=c2cc(C)[nH]c(NCc3ccccc3)n2)c(O)c1 ZINC000004858087 570349530 /nfs/dbraw/zinc/34/95/30/570349530.db2.gz 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30 GIEARN Br/C(C=NN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 ZINC000252429336 570442306 /nfs/dbraw/zinc/44/23/06/570442306.db2.gz DYNORDCFBLDDQF-CWWMYSCLSA-N 0 0 384.321 4.226 50 30 GIEARN CSc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000001986979 570451910 /nfs/dbraw/zinc/45/19/10/570451910.db2.gz INJGUUBTWLIQNF-UHFFFAOYSA-N 0 0 398.875 4.137 50 30 GIEARN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000225495438 570456512 /nfs/dbraw/zinc/45/65/12/570456512.db2.gz AAASQGZXSCFKMN-APWZRJJASA-N 0 0 388.558 4.455 50 30 GIEARN CCCOc1ccc(C=Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000252624191 570479323 /nfs/dbraw/zinc/47/93/23/570479323.db2.gz PIPVGFCNYNRMSL-UHFFFAOYSA-N 0 0 395.484 4.422 50 30 GIEARN N#Cc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000006580442 570480873 /nfs/dbraw/zinc/48/08/73/570480873.db2.gz JHIPZUIDRNCENI-UHFFFAOYSA-N 0 0 390.826 4.460 50 30 GIEARN N#Cc1ccc(CN2CCN(Cc3csc(-c4cccs4)n3)CC2)cc1 ZINC000022788344 570550013 /nfs/dbraw/zinc/55/00/13/570550013.db2.gz 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COc1ccc(C(=O)/C=C/N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000002385270 570589445 /nfs/dbraw/zinc/58/94/45/570589445.db2.gz JJCYKEOJJHEJEN-MDZDMXLPSA-N 0 0 390.405 4.233 50 30 GIEARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(C#N)cc1 ZINC000003350663 570606230 /nfs/dbraw/zinc/60/62/30/570606230.db2.gz LILFXNVGZZHWPR-UHFFFAOYSA-N 0 0 379.641 4.300 50 30 GIEARN N#CCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000022979504 570618606 /nfs/dbraw/zinc/61/86/06/570618606.db2.gz LFPGTEIBGKLWPS-UHFFFAOYSA-N 0 0 377.425 4.155 50 30 GIEARN N#C/C(=N\Nc1ccccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000044827482 570634095 /nfs/dbraw/zinc/63/40/95/570634095.db2.gz KMUYXGBUACNXRP-PCLIKHOPSA-N 0 0 390.399 4.395 50 30 GIEARN N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)cc1C#N ZINC000000855975 570662299 /nfs/dbraw/zinc/66/22/99/570662299.db2.gz QEFAXPUDVMQLNN-UHFFFAOYSA-N 0 0 382.375 4.262 50 30 GIEARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000012406473 570662366 /nfs/dbraw/zinc/66/23/66/570662366.db2.gz 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399.830 4.006 50 30 GIEARN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccccc1F ZINC000001079502 570750573 /nfs/dbraw/zinc/75/05/73/570750573.db2.gz SMDDECGZLUBREP-OAHLLOKOSA-N 0 0 380.375 4.262 50 30 GIEARN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1F ZINC000001079596 570750757 /nfs/dbraw/zinc/75/07/57/570750757.db2.gz LNDRLSFRMXXYCU-OAHLLOKOSA-N 0 0 398.365 4.401 50 30 GIEARN CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]32C)OCCO1 ZINC000257356255 570785801 /nfs/dbraw/zinc/78/58/01/570785801.db2.gz HBKNLOFNSJJGPD-KTHIQWDBSA-N 0 0 385.548 4.439 50 30 GIEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257359328 570786100 /nfs/dbraw/zinc/78/61/00/570786100.db2.gz ZPTTUFVORSZZFO-RJNDBBCYSA-N 0 0 390.495 4.357 50 30 GIEARN N#Cc1cccnc1Oc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000032779551 570807861 /nfs/dbraw/zinc/80/78/61/570807861.db2.gz FHOOHRRNYLMTRN-UHFFFAOYSA-N 0 0 375.344 4.298 50 30 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COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)cc(OC)c1OC ZINC000006922357 204224871 /nfs/dbraw/zinc/22/48/71/204224871.db2.gz NTURCPZQKDLJNF-WQRHYEAKSA-N 0 0 398.484 4.221 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007017374 204231134 /nfs/dbraw/zinc/23/11/34/204231134.db2.gz LRKIWULLTKXLQG-NRFANRHFSA-N 0 0 396.443 4.052 50 30 GIEARN O=C(COc1ncnc2ccc(Br)cc21)Nc1ccc(F)c(F)c1 ZINC000007653228 204245301 /nfs/dbraw/zinc/24/53/01/204245301.db2.gz RZQHHXSAYRRYMF-UHFFFAOYSA-N 0 0 394.175 4.338 50 30 GIEARN C[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1C#N ZINC000007783524 204251039 /nfs/dbraw/zinc/25/10/39/204251039.db2.gz HHRIOHNTAPOARQ-LLVKDONJSA-N 0 0 383.864 4.116 50 30 GIEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCCC4)o3)o2)cc1 ZINC000008654646 204281751 /nfs/dbraw/zinc/28/17/51/204281751.db2.gz GZNGUXABUVLILP-UHFFFAOYSA-N 0 0 379.416 4.384 50 30 GIEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Oc5ccccc5)cc4)CC3=O)nc2c1 ZINC000008844102 204291736 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C#CCOc1cc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)ccc1OC ZINC000036359349 518318869 /nfs/dbraw/zinc/31/88/69/518318869.db2.gz TUIOGRYAENWTHQ-QGZVFWFLSA-N 0 0 391.402 4.156 50 30 GIEARN C#CCn1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000009263289 518345220 /nfs/dbraw/zinc/34/52/20/518345220.db2.gz REMLTVGIRMZJOP-XDHOZWIPSA-N 0 0 389.842 4.021 50 30 GIEARN CC(=CC(=O)c1ccc(Cl)cc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000013148191 518431421 /nfs/dbraw/zinc/43/14/21/518431421.db2.gz QSGOLTKVVIVSBG-FDPSAONLSA-N 0 0 390.936 4.151 50 30 GIEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cn3)c(=O)oc2c1 ZINC000009184203 518615880 /nfs/dbraw/zinc/61/58/80/518615880.db2.gz SEKRLQZZAYHLHD-UHFFFAOYSA-N 0 0 398.846 4.286 50 30 GIEARN C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000065513831 518707181 /nfs/dbraw/zinc/70/71/81/518707181.db2.gz ZKPXVHYASDNEGH-DLBZAZTESA-N 0 0 385.504 4.154 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccc(F)cc1 ZINC000006701288 518797275 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C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000013776877 518975422 /nfs/dbraw/zinc/97/54/22/518975422.db2.gz AXKBHCVKDTZBJB-ZDLGFXPLSA-N 0 0 388.778 4.203 50 30 GIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000016741319 519019382 /nfs/dbraw/zinc/01/93/82/519019382.db2.gz NFGYKZRFMHUYIX-OAQYLSRUSA-N 0 0 389.451 4.324 50 30 GIEARN C=CCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000027994521 519026362 /nfs/dbraw/zinc/02/63/62/519026362.db2.gz PPFOCESMHDPYTP-UHFFFAOYSA-N 0 0 394.496 4.356 50 30 GIEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3CC)cs2)c1C ZINC000033019249 519122736 /nfs/dbraw/zinc/12/27/36/519122736.db2.gz GARVSJRQFBSMOC-UHFFFAOYSA-N 0 0 380.517 4.418 50 30 GIEARN C=CCc1ccc(OC(=O)Cn2c(=O)sc3cccc(Cl)c32)c(OC)c1 ZINC000000625626 519134848 /nfs/dbraw/zinc/13/48/48/519134848.db2.gz ZPHCBLYKJIBUIF-UHFFFAOYSA-N 0 0 389.860 4.059 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccccc1 ZINC000004286036 519225104 /nfs/dbraw/zinc/22/51/04/519225104.db2.gz 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50 30 GIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000018116892 520506604 /nfs/dbraw/zinc/50/66/04/520506604.db2.gz WQXWYBGJIKUJQL-SFHVURJKSA-N 0 0 398.459 4.152 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2OC)C1=O ZINC000004663471 520538522 /nfs/dbraw/zinc/53/85/22/520538522.db2.gz LPFHVDXMPUFUHH-LGMDPLHJSA-N 0 0 381.453 4.239 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000102627548 520556072 /nfs/dbraw/zinc/55/60/72/520556072.db2.gz HEVTVQBOSJKRHD-YDJIHCHBSA-N 0 0 379.456 4.225 50 30 GIEARN CCOc1c(Br)cc(/C=C2/Oc3cc(O)ccc3C2=O)cc1OC ZINC000096920996 520588299 /nfs/dbraw/zinc/58/82/99/520588299.db2.gz MJSGWTGZSYWYQT-VIZOYTHASA-N 0 0 391.217 4.178 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2ccc(O)cc2)cc(Br)c1OC ZINC000096766230 520637555 /nfs/dbraw/zinc/63/75/55/520637555.db2.gz MWHUSPWVGBWRHP-WTKPLQERSA-N 0 0 377.234 4.458 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 ZINC000019808844 520818744 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CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000002334695 523420643 /nfs/dbraw/zinc/42/06/43/523420643.db2.gz SKIICEXDXCHFEE-HTIXJGPSSA-N 0 0 381.501 4.248 50 30 GIEARN COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)cc1OC ZINC000032502131 523421171 /nfs/dbraw/zinc/42/11/71/523421171.db2.gz OUFFPOHKIMXTHO-UKWGHVSLSA-N 0 0 395.455 4.189 50 30 GIEARN COc1ccc(C(=O)/C=C\c2cc(Br)c(O)c(OC)c2)cc1F ZINC000096861779 523545168 /nfs/dbraw/zinc/54/51/68/523545168.db2.gz QVPFQRCNWSBTMM-HYXAFXHYSA-N 0 0 381.197 4.207 50 30 GIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc2ccccc21 ZINC000100072585 523723636 /nfs/dbraw/zinc/72/36/36/523723636.db2.gz VJYIBAXRBYPCEN-RSTPCFTMSA-N 0 0 389.480 4.430 50 30 GIEARN COc1ccc(CC[C@@](C)(O)C#CCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236059 523981748 /nfs/dbraw/zinc/98/17/48/523981748.db2.gz IRUDFFVUOWSUDD-RPWUZVMVSA-N 0 0 378.516 4.004 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)Cc1c[nH]c2ccccc12 ZINC000032744871 524033835 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COc1cccc([C@@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000001035439 570236589 /nfs/dbraw/zinc/23/65/89/570236589.db2.gz ZCJJOXMPFTXNMN-AWEZNQCLSA-N 0 0 383.473 4.054 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O ZINC000012342686 570237027 /nfs/dbraw/zinc/23/70/27/570237027.db2.gz SVYWRBMLVFUOBL-OQLLNIDSSA-N 0 0 388.788 4.178 50 30 GIEARN COc1cc(/C=N/OC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000001042301 570237549 /nfs/dbraw/zinc/23/75/49/570237549.db2.gz YWZUTMNFBKSQRT-AWQFTUOYSA-N 0 0 384.215 4.210 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccn1 ZINC000001082066 570241492 /nfs/dbraw/zinc/24/14/92/570241492.db2.gz GYISVRBJGCQSTL-SBUREZEXSA-N 0 0 388.467 4.006 50 30 GIEARN C=CCN1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O ZINC000013881342 570242590 /nfs/dbraw/zinc/24/25/90/570242590.db2.gz FUYIKTQNBLAWAU-RVDMUPIBSA-N 0 0 389.274 4.462 50 30 GIEARN C=CCn1nc(SCC)n2c1nc1c(c2=O)C(CC)(CC)Cc2ccccc2-1 ZINC000015839102 570248749 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C/C(=N/N=C1\NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 ZINC000001220243 570259223 /nfs/dbraw/zinc/25/92/23/570259223.db2.gz UEFSTJZORAACHQ-OLIBUNOHSA-N 0 0 375.856 4.033 50 30 GIEARN Cc1ccc(-c2ccsc2C(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000012849283 570265615 /nfs/dbraw/zinc/26/56/15/570265615.db2.gz RXPDJXCUMMBKNY-UHFFFAOYSA-N 0 0 376.437 4.391 50 30 GIEARN COc1ccc(/C=C2\CCOc3cc(Br)ccc3C2=O)cc1O ZINC000012853091 570266808 /nfs/dbraw/zinc/26/68/08/570266808.db2.gz DZNLZSYACAQABD-XYOKQWHBSA-N 0 0 375.218 4.212 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000002055501 570272901 /nfs/dbraw/zinc/27/29/01/570272901.db2.gz VZSREQDJJQVHBC-FQEVSTJZSA-N 0 0 383.488 4.252 50 30 GIEARN CCOc1ccccc1N=C(NC(=O)c1cccs1)Nc1nc(C)cc(C)n1 ZINC000002321097 570282510 /nfs/dbraw/zinc/28/25/10/570282510.db2.gz ANOSWYMPNFALAV-UHFFFAOYSA-N 0 0 395.488 4.083 50 30 GIEARN C#CCN(Cc1ccco1)Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000019740136 570282880 /nfs/dbraw/zinc/28/28/80/570282880.db2.gz 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396.472 4.275 50 30 GIEARN Cc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)o1 ZINC000604403912 570361098 /nfs/dbraw/zinc/36/10/98/570361098.db2.gz DHCCFYWAVMVASF-KLSKMWHSSA-N 0 0 388.375 4.351 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)c(OCC=C)c1 ZINC000002850158 570390618 /nfs/dbraw/zinc/39/06/18/570390618.db2.gz LOTQAPTWAOYNQR-UYRXBGFRSA-N 0 0 379.387 4.300 50 30 GIEARN C=CCN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O ZINC000002881581 570390995 /nfs/dbraw/zinc/39/09/95/570390995.db2.gz QDKWJHTWWJONJH-UHFFFAOYSA-N 0 0 399.299 4.198 50 30 GIEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1c(F)cccc1Cl ZINC000002870429 570399176 /nfs/dbraw/zinc/39/91/76/570399176.db2.gz WAXNJGMKOFUWLO-UHFFFAOYSA-N 0 0 392.883 4.267 50 30 GIEARN CN(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000238997469 570427771 /nfs/dbraw/zinc/42/77/71/570427771.db2.gz AIAWKGJXYBOXFS-UHFFFAOYSA-N 0 0 392.315 4.489 50 30 GIEARN COc1cc(/C=N/OCc2cccc(Br)c2)cc(OC)c1OC ZINC000001878654 570438269 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50 30 GIEARN N#Cc1cccnc1N1CCC[C@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000252505111 570477036 /nfs/dbraw/zinc/47/70/36/570477036.db2.gz VOMHJOPFYGVCNJ-HNNXBMFYSA-N 0 0 396.248 4.107 50 30 GIEARN CC(=O)NCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000002971300 570524192 /nfs/dbraw/zinc/52/41/92/570524192.db2.gz UQOLZPGCGBYESE-UHFFFAOYSA-N 0 0 387.892 4.319 50 30 GIEARN N#C[C@H](C(N)=O)[C@@H](SCc1ccccc1)c1ccc(Br)cc1 ZINC000023549806 570542122 /nfs/dbraw/zinc/54/21/22/570542122.db2.gz VIXPFPDPFIOCJJ-HOTGVXAUSA-N 0 0 375.291 4.049 50 30 GIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(OC)c1 ZINC000005298496 570549596 /nfs/dbraw/zinc/54/95/96/570549596.db2.gz AVNYQRPUEOGLJG-UHFFFAOYSA-N 0 0 382.445 4.340 50 30 GIEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229513623 570665052 /nfs/dbraw/zinc/66/50/52/570665052.db2.gz KDHPHUQYGIQPGP-LTIDMASMSA-N 0 0 384.549 4.371 50 30 GIEARN CC(C)Cc1nc(C#N)c(N2CCC(c3nc(-c4ccccc4)no3)CC2)o1 ZINC000032594001 570678709 /nfs/dbraw/zinc/67/87/09/570678709.db2.gz YEXWQOOYCMRGNO-UHFFFAOYSA-N 0 0 377.448 4.179 50 30 GIEARN CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2ccccc21 ZINC000008991312 570684253 /nfs/dbraw/zinc/68/42/53/570684253.db2.gz MVUKSQKQWYGCRK-RGVLZGJSSA-N 0 0 391.423 4.138 50 30 GIEARN CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N ZINC000012627255 570692009 /nfs/dbraw/zinc/69/20/09/570692009.db2.gz KAIMAHMWVRTOHS-GOSISDBHSA-N 0 0 378.501 4.174 50 30 GIEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000006909869 570699287 /nfs/dbraw/zinc/69/92/87/570699287.db2.gz SNVCCFWDTHJBMO-MNOVXSKESA-N 0 0 399.347 4.437 50 30 GIEARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)n2ncc(C#N)c2N1 ZINC000072332730 570705799 /nfs/dbraw/zinc/70/57/99/570705799.db2.gz WWGNOAKQSXLSNC-IBGZPJMESA-N 0 0 389.846 4.336 50 30 GIEARN Cc1ccc2nc3c(SCCC(=O)Nc4ccccc4C#N)n[nH]cc-3c2c1 ZINC000025051947 570706885 /nfs/dbraw/zinc/70/68/85/570706885.db2.gz TYRJOUGAZBULJQ-UHFFFAOYSA-N 0 0 387.468 4.412 50 30 GIEARN Cc1ccc(C2=NN(C(=O)CNc3ccc(C#N)cc3)[C@H](c3ccco3)C2)cc1 ZINC000015122524 570739629 /nfs/dbraw/zinc/73/96/29/570739629.db2.gz KVXWZBNEHDHAGI-NRFANRHFSA-N 0 0 384.439 4.250 50 30 GIEARN CCCCc1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)n1 ZINC000007039987 570750397 /nfs/dbraw/zinc/75/03/97/570750397.db2.gz GEIDXTJYGMQNTN-GOSISDBHSA-N 0 0 379.485 4.029 50 30 GIEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1F ZINC000001079893 570750772 /nfs/dbraw/zinc/75/07/72/570750772.db2.gz ABVFVPVYZVJTGR-OAHLLOKOSA-N 0 0 398.365 4.401 50 30 GIEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O ZINC000001106893 570753592 /nfs/dbraw/zinc/75/35/92/570753592.db2.gz YANQHKPQYWCPNB-GIJQJNRQSA-N 0 0 384.863 4.016 50 30 GIEARN CCOC(=O)CSc1nc(SC)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000096602228 570774850 /nfs/dbraw/zinc/77/48/50/570774850.db2.gz VRLXMZVLXASLAQ-UHFFFAOYSA-N 0 0 379.894 4.046 50 30 GIEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257359325 570786085 /nfs/dbraw/zinc/78/60/85/570786085.db2.gz ZPTTUFVORSZZFO-BRGFEECMSA-N 0 0 390.495 4.357 50 30 GIEARN CCN(CC)C(=O)[C@@H](Sc1nc(C)c(C(C)=O)cc1C#N)c1ccccc1 ZINC000032741627 570787098 /nfs/dbraw/zinc/78/70/98/570787098.db2.gz LXKYHIWUKSKZSC-IBGZPJMESA-N 0 0 381.501 4.166 50 30 GIEARN Cc1ccc(SCCC(=O)OCC(=O)Nc2c(C#N)oc3ccccc32)cc1 ZINC000015218094 570787552 /nfs/dbraw/zinc/78/75/52/570787552.db2.gz BPIPCUIETCSLMV-UHFFFAOYSA-N 0 0 394.452 4.277 50 30 GIEARN O=S(=O)(N=C(Nc1ccc(O)c(Cl)c1)c1ccccc1)c1ccccc1 ZINC000015223343 570788208 /nfs/dbraw/zinc/78/82/08/570788208.db2.gz OAAXBHCJIRQROV-UHFFFAOYSA-N 0 0 386.860 4.293 50 30 GIEARN COc1cccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)c1OC ZINC000018197176 570808924 /nfs/dbraw/zinc/80/89/24/570808924.db2.gz PUMZSZFDXLNUKR-OAQYLSRUSA-N 0 0 395.455 4.286 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000018199889 570808942 /nfs/dbraw/zinc/80/89/42/570808942.db2.gz ANPMYMRRPFXHEC-JOCHJYFZSA-N 0 0 399.450 4.474 50 30 GIEARN C=CCn1c(=N)c2c(nc1SCC(=O)c1ccccc1)S[C@@H]1CCC[C@H]21 ZINC000101228827 570817164 /nfs/dbraw/zinc/81/71/64/570817164.db2.gz ZIWQKINRDNGATQ-GOEBONIOSA-N 0 0 383.542 4.265 50 30 GIEARN COc1cccc(/C=N/CCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c1O ZINC000004688291 570834470 /nfs/dbraw/zinc/83/44/70/570834470.db2.gz ZNYJTAWBBUZXNW-SSDVNMTOSA-N 0 0 397.353 4.249 50 30 GIEARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000012533329 570834713 /nfs/dbraw/zinc/83/47/13/570834713.db2.gz YMDAJHZBDIWIPH-IAGOWNOFSA-N 0 0 383.517 4.122 50 30 GIEARN Cc1ccc2nc(COc3ccc(C(=O)NCC#Cc4ccccc4)cc3)cn2c1 ZINC000012547613 570849299 /nfs/dbraw/zinc/84/92/99/570849299.db2.gz MEYPZAWPIHKICI-UHFFFAOYSA-N 0 0 395.462 4.003 50 30 GIEARN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 ZINC000004541484 570854569 /nfs/dbraw/zinc/85/45/69/570854569.db2.gz CQPKJFAEAYULBN-QGZVFWFLSA-N 0 0 387.439 4.150 50 30 GIEARN Cc1ccc(NC(=NOCc2ccc(Cl)cc2Cl)c2nonc2N)cc1 ZINC000004712823 570858435 /nfs/dbraw/zinc/85/84/35/570858435.db2.gz PGOSPMOTXSLUNS-UHFFFAOYSA-N 0 0 392.246 4.258 50 30 GIEARN Cc1ccc(-c2ccc(/C=N\N=C3\NC(=O)[C@@H](Cc4ccccc4)S3)o2)cc1 ZINC000004719567 570859316 /nfs/dbraw/zinc/85/93/16/570859316.db2.gz NOCJOAFKKLQBQD-SPMKTWQFSA-N 0 0 389.480 4.419 50 30 GIEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000102832493 570866305 /nfs/dbraw/zinc/86/63/05/570866305.db2.gz JSOZRCAMBDMBHB-HTQZYQBOSA-N 0 0 375.259 4.162 50 30 GIEARN Cc1cc(-c2ccc(C(=O)N(C)CC[C@@H]3CCCCO3)cc2)nc(C)c1C#N ZINC000584894355 570887399 /nfs/dbraw/zinc/88/73/99/570887399.db2.gz HERPBKONKLPEHY-FQEVSTJZSA-N 0 0 377.488 4.268 50 30 GIEARN Cn1c(=O)[nH]c(=O)c2c1NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 ZINC000104129441 570895595 /nfs/dbraw/zinc/89/55/95/570895595.db2.gz WVESIWLBBBFMOV-CQSZACIVSA-N 0 0 391.814 4.072 50 30 GIEARN COc1ccc(/C=C2\Oc3c(cc(C[NH+]4CCCCC4)c([O-])c3C)C2=O)cc1 ZINC000023127122 570911928 /nfs/dbraw/zinc/91/19/28/570911928.db2.gz JHXZQVQHXSOUDO-NDENLUEZSA-N 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570955535 /nfs/dbraw/zinc/95/55/35/570955535.db2.gz ODVWDPPOOAIKNW-QHCPKHFHSA-N 0 0 398.510 4.050 50 30 GIEARN CC(=NOCC(=O)NCc1ccco1)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000252474856 570964332 /nfs/dbraw/zinc/96/43/32/570964332.db2.gz NNKFRLSXNGKCRB-UHFFFAOYSA-N 0 0 392.455 4.224 50 30 GIEARN COc1cc(C#N)ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000012728840 570973317 /nfs/dbraw/zinc/97/33/17/570973317.db2.gz SGSPSXRGSPVFEU-UHFFFAOYSA-N 0 0 397.431 4.426 50 30 GIEARN N#Cc1cccnc1N1CCC[C@@H]1c1nc(-c2cccc(Br)c2)no1 ZINC000252505112 570977920 /nfs/dbraw/zinc/97/79/20/570977920.db2.gz VOMHJOPFYGVCNJ-OAHLLOKOSA-N 0 0 396.248 4.107 50 30 GIEARN C=CCc1ccc(C(=O)N2CCC(c3nccn3Cc3ccccn3)CC2)cc1 ZINC000091587166 570984168 /nfs/dbraw/zinc/98/41/68/570984168.db2.gz OVIAVDOVYCMYKH-UHFFFAOYSA-N 0 0 386.499 4.075 50 30 GIEARN C=C(C)COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1 ZINC000096167157 570998780 /nfs/dbraw/zinc/99/87/80/570998780.db2.gz DZQSCASVIHKHQM-NRFANRHFSA-N 0 0 381.476 4.014 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(SCC)oc1C ZINC000001421403 570998915 /nfs/dbraw/zinc/99/89/15/570998915.db2.gz WRXFHHJADZUOLX-GOSISDBHSA-N 0 0 375.490 4.231 50 30 GIEARN O=C(C=NOC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1Br ZINC000252591179 571001130 /nfs/dbraw/zinc/00/11/30/571001130.db2.gz AYQZAOJFMXYLAZ-UHFFFAOYSA-N 0 0 396.628 4.276 50 30 GIEARN CCc1cccc(NC(=NC(=O)c2ccc(OC)cc2)NCc2ccncc2)c1 ZINC000045940258 571001341 /nfs/dbraw/zinc/00/13/41/571001341.db2.gz YXRCXECWNDONAD-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN Cc1cc(C)cc(NC(=NCc2ccncc2)NC(=O)c2cccc(F)c2)c1 ZINC000045939931 571001357 /nfs/dbraw/zinc/00/13/57/571001357.db2.gz WBCCTHJJCVTIPF-UHFFFAOYSA-N 0 0 376.435 4.045 50 30 GIEARN Cc1ccc(C(=O)N/C(=N/c2cccc(F)c2)NCc2ccncc2)cc1C ZINC000045939612 571001367 /nfs/dbraw/zinc/00/13/67/571001367.db2.gz GMFOKNVPAGJXQH-UHFFFAOYSA-N 0 0 376.435 4.045 50 30 GIEARN CCOc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccncc2)cc1 ZINC000045939864 571001392 /nfs/dbraw/zinc/00/13/92/571001392.db2.gz BWCWXTDNOZSAFE-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN COc1ccc(C[C@H](NC(=O)c2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000015524977 571010417 /nfs/dbraw/zinc/01/04/17/571010417.db2.gz YCAUZJIBPUYTTP-QHCPKHFHSA-N 0 0 386.451 4.289 50 30 GIEARN N#Cc1c2c(sc1NC(=O)c1ccc(OCC(F)(F)F)nc1)CCCCC2 ZINC000084425469 571017155 /nfs/dbraw/zinc/01/71/55/571017155.db2.gz RZCGQKLQCLXPQN-UHFFFAOYSA-N 0 0 395.406 4.477 50 30 GIEARN Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1N=Cc1cccc(Cl)c1 ZINC000252617639 571019564 /nfs/dbraw/zinc/01/95/64/571019564.db2.gz KXMROBYNZCTLLC-UHFFFAOYSA-N 0 0 387.852 4.323 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)C1=O ZINC000004616612 571042248 /nfs/dbraw/zinc/04/22/48/571042248.db2.gz JKSUAVXUCNHJKT-XNTDXEJSSA-N 0 0 379.865 4.195 50 30 GIEARN COc1cc(Br)cc(/C=N/c2ccc3c(c2)OC(F)(F)O3)c1O ZINC000001437243 571043440 /nfs/dbraw/zinc/04/34/40/571043440.db2.gz JYKAILMUDXGWJK-FBCYGCLPSA-N 0 0 386.148 4.235 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(OC)c1 ZINC000005498918 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C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)cc1 ZINC000002487246 817391167 /nfs/dbraw/zinc/39/11/67/817391167.db2.gz DYGWHQFLEPNVJX-GDBMZVCRSA-N 0 0 390.892 4.108 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 ZINC000002475492 817391222 /nfs/dbraw/zinc/39/12/22/817391222.db2.gz COVBOGNHAVXIFG-YUCJCZDXSA-N 0 0 391.855 4.069 50 30 GIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3c(F)c(F)cc(F)c3F)sc2C1 ZINC000002747732 817399416 /nfs/dbraw/zinc/39/94/16/817399416.db2.gz FOVOJVOAGQTLKJ-MRVPVSSYSA-N 0 0 398.381 4.318 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 ZINC000002787121 817400510 /nfs/dbraw/zinc/40/05/10/817400510.db2.gz ZYAGNUBWWFUDTF-QWHCGFSZSA-N 0 0 389.484 4.475 50 30 GIEARN N#Cc1ccccc1CSc1nnc(NC(=O)CCc2ccccc2)s1 ZINC000002836831 817402534 /nfs/dbraw/zinc/40/25/34/817402534.db2.gz LWPHAQJXGSNLDE-UHFFFAOYSA-N 0 0 380.498 4.273 50 30 GIEARN COc1ccc(Cn2cc(-c3cccc(C(F)(F)F)c3)cc(C#N)c2=O)cc1 ZINC000003133656 817418910 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C=CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCCC2 ZINC000006309922 817674578 /nfs/dbraw/zinc/67/45/78/817674578.db2.gz MYNPVBWCNSXFEB-UHFFFAOYSA-N 0 0 377.853 4.416 50 30 GIEARN C=CCSc1nnc(NC(=O)/C=C/c2cccc(Br)c2)s1 ZINC000006559943 817705219 /nfs/dbraw/zinc/70/52/19/817705219.db2.gz QUMXPHHEYLPKQI-VOTSOKGWSA-N 0 0 382.308 4.231 50 30 GIEARN Cc1nn(-c2ccc(F)cc2)cc1/C=C/C(=O)c1ccc(N2CCOCC2)cc1 ZINC000006790720 817718211 /nfs/dbraw/zinc/71/82/11/817718211.db2.gz FJJVLBYJIKBXFP-NYYWCZLTSA-N 0 0 391.446 4.053 50 30 GIEARN N#Cc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000007976694 817972780 /nfs/dbraw/zinc/97/27/80/817972780.db2.gz GUZSNUPKBMTRQV-UHFFFAOYSA-N 0 0 398.182 4.390 50 30 GIEARN C=CCn1c(C)nn(CN2CCC[C@@H](c3nc4ccccc4s3)C2)c1=S ZINC000008147082 818007368 /nfs/dbraw/zinc/00/73/68/818007368.db2.gz RDRRRKZXNMOPEA-OAHLLOKOSA-N 0 0 385.562 4.355 50 30 GIEARN O=C1c2ccc(O)cc2O/C1=C/c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012748078 818180472 /nfs/dbraw/zinc/18/04/72/818180472.db2.gz 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O=[N+]([O-])c1ccc(N=NC(c2ccccc2)[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004293173 204036457 /nfs/dbraw/zinc/03/64/57/204036457.db2.gz QVKWDKPHEMCSMJ-QWODIWHTSA-N 0 0 392.371 4.053 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 ZINC000004699892 204065803 /nfs/dbraw/zinc/06/58/03/204065803.db2.gz PBIWTBKHSZSYLA-BAOKRACBSA-N 0 0 391.855 4.069 50 30 GIEARN COc1ccc(/C=N/Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000004748786 204073467 /nfs/dbraw/zinc/07/34/67/204073467.db2.gz MZXOSOZTYBYRJC-SRZZPIQSSA-N 0 0 377.425 4.371 50 30 GIEARN COc1ccc(C(=O)/C=C/c2ccccc2OC)c(OC(=O)c2ccco2)c1 ZINC000004833462 204080127 /nfs/dbraw/zinc/08/01/27/204080127.db2.gz DCCOZHJWAKSQEL-FMIVXFBMSA-N 0 0 378.380 4.412 50 30 GIEARN COc1ccc(Nc2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)cc1 ZINC000004838999 204080812 /nfs/dbraw/zinc/08/08/12/204080812.db2.gz IRYKVJPUTRCCSD-VZUCSPMQSA-N 0 0 377.400 4.486 50 30 GIEARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)o2)cc1C ZINC000004912875 204091021 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COCCN1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 ZINC000004688382 204064799 /nfs/dbraw/zinc/06/47/99/204064799.db2.gz OULGCKWDCVQUPU-DJOYVXLESA-N 0 0 391.496 4.429 50 30 GIEARN C=CCN1C(=O)[C@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1cccs1 ZINC000005214323 204119876 /nfs/dbraw/zinc/11/98/76/204119876.db2.gz NBEZILFAOYZIGB-FOWJPOPOSA-N 0 0 399.541 4.209 50 30 GIEARN N#Cc1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000005291509 204123987 /nfs/dbraw/zinc/12/39/87/204123987.db2.gz MOCKVLSTWTZYFK-UHFFFAOYSA-N 0 0 399.450 4.171 50 30 GIEARN COc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2Br)cc1 ZINC000005320654 204125653 /nfs/dbraw/zinc/12/56/53/204125653.db2.gz KJSXJLBMFXTWOM-RMKNXTFCSA-N 0 0 377.234 4.371 50 30 GIEARN COCc1cc(C)nc(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)c1C#N ZINC000004973672 204099015 /nfs/dbraw/zinc/09/90/15/204099015.db2.gz XJGMLJRZELJKNI-UHFFFAOYSA-N 0 0 399.516 4.142 50 30 GIEARN CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000004996421 204100935 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30 GIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 ZINC000006819766 204213038 /nfs/dbraw/zinc/21/30/38/204213038.db2.gz ZSAYYKPKXZVFKW-XLIONFOSSA-N 0 0 391.467 4.098 50 30 GIEARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C#N)s1 ZINC000006831954 204213467 /nfs/dbraw/zinc/21/34/67/204213467.db2.gz RZOGILSUEOEENC-UHFFFAOYSA-N 0 0 381.486 4.193 50 30 GIEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000006224352 204170916 /nfs/dbraw/zinc/17/09/16/204170916.db2.gz GOOQPHLVRPCNFW-QGMBQPNBSA-N 0 0 394.243 4.331 50 30 GIEARN Cc1nc2sc(-c3ccccc3)cc2c(NN=C2C(=O)Nc3ccccc32)n1 ZINC000006218977 204171305 /nfs/dbraw/zinc/17/13/05/204171305.db2.gz QJGWSHXQDLGEPD-UHFFFAOYSA-N 0 0 385.452 4.435 50 30 GIEARN O=C1CCC(=O)N1c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000006322184 204174677 /nfs/dbraw/zinc/17/46/77/204174677.db2.gz UYTHEQRCBQKWDY-UHFFFAOYSA-N 0 0 375.265 4.223 50 30 GIEARN N#Cc1cccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 ZINC000006400951 204177404 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Cc1ccccc1C=Cc1nc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)n[nH]1 ZINC000008752674 204288843 /nfs/dbraw/zinc/28/88/43/204288843.db2.gz LMSAHJXWMOZNPT-AUECHBEKSA-N 0 0 389.484 4.275 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000008769831 204290347 /nfs/dbraw/zinc/29/03/47/204290347.db2.gz QVJJTTWPHZLECW-ODXCJYRJSA-N 0 0 396.372 4.111 50 30 GIEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NC[C@H]3CCCO3)o2)o1 ZINC000008844554 204291500 /nfs/dbraw/zinc/29/15/00/204291500.db2.gz CHQNNMLRKOMPQV-OAHLLOKOSA-N 0 0 379.416 4.285 50 30 GIEARN COc1ccc(NC(=O)CCSc2nc(C)cc(C(F)(F)F)c2C#N)cc1 ZINC000008991343 204295287 /nfs/dbraw/zinc/29/52/87/204295287.db2.gz FGOOJBAGJCSMPX-UHFFFAOYSA-N 0 0 395.406 4.410 50 30 GIEARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000008074753 204262043 /nfs/dbraw/zinc/26/20/43/204262043.db2.gz LQKQYXGOFPJPDM-UHFFFAOYSA-N 0 0 384.482 4.024 50 30 GIEARN COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2C#N)cc1 ZINC000008168059 204264657 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COc1cc(CCC2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000010027203 204329208 /nfs/dbraw/zinc/32/92/08/204329208.db2.gz JSMLSAHRANZPBI-UHFFFAOYSA-N 0 0 378.472 4.060 50 30 GIEARN Cc1noc(C)c1COc1cccc(C(=O)OCc2cc(C#N)ccc2F)c1 ZINC000010865759 204339099 /nfs/dbraw/zinc/33/90/99/204339099.db2.gz POGWKLXVNHDJHN-UHFFFAOYSA-N 0 0 380.375 4.238 50 30 GIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2cc(Br)ccc2F)cc1 ZINC000009088554 204298922 /nfs/dbraw/zinc/29/89/22/204298922.db2.gz RYODZLBXRUZTOE-UFWORHAWSA-N 0 0 395.232 4.157 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1 ZINC000009156251 204300732 /nfs/dbraw/zinc/30/07/32/204300732.db2.gz AXQWMSWFSCBKJN-MRXNPFEDSA-N 0 0 391.418 4.393 50 30 GIEARN CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)c(Cl)c2)c1C#N ZINC000019867717 204689720 /nfs/dbraw/zinc/68/97/20/204689720.db2.gz MOCQSWYHQAGSPI-UHFFFAOYSA-N 0 0 391.283 4.251 50 30 GIEARN N#Cc1cccc(C#N)c1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000036047526 205004001 /nfs/dbraw/zinc/00/40/01/205004001.db2.gz 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391.258 4.335 50 30 GIEARN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3c[nH]cn3)CC2)cc1 ZINC000241810002 206128112 /nfs/dbraw/zinc/12/81/12/206128112.db2.gz SCJKGGFRQBPPPV-UHFFFAOYSA-N 0 0 387.443 4.485 50 30 GIEARN CCCCCN1/C(=C/c2ccc(N(C)C)cc2)C(=O)c2ccccc2S1(=O)=O ZINC000004915894 206214804 /nfs/dbraw/zinc/21/48/04/206214804.db2.gz GRGHCJJCMWTHOU-CAPFRKAQSA-N 0 0 398.528 4.171 50 30 GIEARN O=C1CC(=NNc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 ZINC000005242921 206216817 /nfs/dbraw/zinc/21/68/17/206216817.db2.gz NDGNQDUVPALVED-QNGOZBTKSA-N 0 0 398.285 4.397 50 30 GIEARN C/C(=N\NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000000695426 220454038 /nfs/dbraw/zinc/45/40/38/220454038.db2.gz HOLNKZAVVXWNJR-GIJQJNRQSA-N 0 0 377.680 4.349 50 30 GIEARN CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 ZINC000010343856 221102095 /nfs/dbraw/zinc/10/20/95/221102095.db2.gz BRLWVABCSOBCIZ-LJQANCHMSA-N 0 0 395.547 4.353 50 30 GIEARN C[C@@H](Sc1nc2ccccc2c(NC2CC2)n1)C(=O)Nc1sccc1C#N ZINC000012553697 221205641 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CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)c(Cl)c1 ZINC000101545459 523724018 /nfs/dbraw/zinc/72/40/18/523724018.db2.gz XSTJNSXAYLZISU-JOJWKMGHSA-N 0 0 391.855 4.069 50 30 GIEARN CN(C(=O)CN1CCC(c2nc3ccccc3s2)CC1)C1(C#N)CCCCC1 ZINC000008324672 523818455 /nfs/dbraw/zinc/81/84/55/523818455.db2.gz JDWOKYSOTSEWBU-UHFFFAOYSA-N 0 0 396.560 4.161 50 30 GIEARN CN1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@H](c2ccccc2)C1 ZINC000030029567 523866985 /nfs/dbraw/zinc/86/69/85/523866985.db2.gz PJYVVEJXVJTORP-BYUVYSIJSA-N 0 0 398.510 4.083 50 30 GIEARN COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021356075 523903865 /nfs/dbraw/zinc/90/38/65/523903865.db2.gz LXGAGCQBPKOBFA-HXUWFJFHSA-N 0 0 397.500 4.084 50 30 GIEARN COc1ccc(CCC(=O)NCC(=NNc2ccccc2)c2ccccc2)cc1 ZINC000018195122 523922264 /nfs/dbraw/zinc/92/22/64/523922264.db2.gz LUDLPOWGUHWHFK-SLEBQGDGSA-N 0 0 387.483 4.260 50 30 GIEARN CCc1cccc(C)c1/N=C1\NN=C(c2cc3c(cc2F)NC(=O)CC3)CS1 ZINC000071817281 524062054 /nfs/dbraw/zinc/06/20/54/524062054.db2.gz CTIKTGARUSRIGV-UHFFFAOYSA-N 0 0 396.491 4.309 50 30 GIEARN Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000008328276 524197903 /nfs/dbraw/zinc/19/79/03/524197903.db2.gz AOIJYOHLAKBXQV-UHFFFAOYSA-N 0 0 391.515 4.426 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000016810029 524322066 /nfs/dbraw/zinc/32/20/66/524322066.db2.gz CAEYRKUXZWZVOL-MNAFEPAFSA-N 0 0 379.456 4.391 50 30 GIEARN COc1ccccc1/C=N/N=C1\SCC(=O)N1Cc1cccc2ccccc21 ZINC000033362587 524325128 /nfs/dbraw/zinc/32/51/28/524325128.db2.gz LQPLQKVUNNXXMT-KRLZMICPSA-N 0 0 389.480 4.314 50 30 GIEARN COc1ccc(NN=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000005023840 524380722 /nfs/dbraw/zinc/38/07/22/524380722.db2.gz KGIFFZZLRWTMAE-JWGURIENSA-N 0 0 379.401 4.067 50 30 GIEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000004135154 524380854 /nfs/dbraw/zinc/38/08/54/524380854.db2.gz ANBSJJZDGGEZMS-LFVJCYFKSA-N 0 0 394.456 4.176 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)o2)c1 ZINC000005021071 524410205 /nfs/dbraw/zinc/41/02/05/524410205.db2.gz ZFLADMQXSGNECY-UHFFFAOYSA-N 0 0 392.484 4.392 50 30 GIEARN Cc1cccc(NC(=NC(=O)c2cccnc2)NCCc2c[nH]c3ccccc23)c1 ZINC000032943089 524528719 /nfs/dbraw/zinc/52/87/19/524528719.db2.gz XPDKGFLWIMTEEL-UHFFFAOYSA-N 0 0 397.482 4.312 50 30 GIEARN C[C@H](Cc1ccccc1Br)NC(=O)C[C@H](O)Cc1ccccc1 ZINC000328596526 524727769 /nfs/dbraw/zinc/72/77/69/524727769.db2.gz ZYDJPUGCZCLUBV-RHSMWYFYSA-N 0 0 376.294 4.330 50 30 GIEARN C[C@@H](NC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000002370428 525280054 /nfs/dbraw/zinc/28/00/54/525280054.db2.gz JHAUZUIBRFOYAR-IEBWSBKVSA-N 0 0 399.498 4.105 50 30 GIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006160536 525392407 /nfs/dbraw/zinc/39/24/07/525392407.db2.gz SXCMYFYQACFION-FQEVSTJZSA-N 0 0 389.407 4.067 50 30 GIEARN COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)c1ccccc1SC ZINC000005090934 525613329 /nfs/dbraw/zinc/61/33/29/525613329.db2.gz SLUUYSIBFVQPJA-HKWRFOASSA-N 0 0 386.429 4.223 50 30 GIEARN COc1ccc2ccccc2c1CN=Nc1nnnn1-c1cccc2ccccc21 ZINC000004380204 525650130 /nfs/dbraw/zinc/65/01/30/525650130.db2.gz QPHRVCPTIROREX-BUVRLJJBSA-N 0 0 394.438 4.423 50 30 GIEARN COc1cccc(-c2csc(C3=C(N)N([C@@H](C)c4ccccc4)CC3=O)n2)c1 ZINC000034769479 525718518 /nfs/dbraw/zinc/71/85/18/525718518.db2.gz YCDRJJRDIQTRRZ-AWEZNQCLSA-N 0 0 391.496 4.092 50 30 GIEARN COc1cccc(/C=C\C(=O)c2nnn(-c3ccc(C)cc3)c2C)c1OC(F)F ZINC000097220192 525770791 /nfs/dbraw/zinc/77/07/91/525770791.db2.gz TYIIYDYKYJBTHU-XFXZXTDPSA-N 0 0 399.397 4.390 50 30 GIEARN Cc1ccsc1/C=C1\Oc2c(ccc3c2CN(C[C@H]2CCCO2)CO3)C1=O ZINC000013718962 525816526 /nfs/dbraw/zinc/81/65/26/525816526.db2.gz NNDYVVDLNOEBNY-BBSXFRJVSA-N 0 0 383.469 4.004 50 30 GIEARN Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020992998 525829540 /nfs/dbraw/zinc/82/95/40/525829540.db2.gz LORHKBBSTWVTAB-MRXNPFEDSA-N 0 0 387.570 4.335 50 30 GIEARN Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2N2CCCCC2)cc1 ZINC000012563456 525901955 /nfs/dbraw/zinc/90/19/55/525901955.db2.gz KTHSYUGVWSTKNJ-KRWDZBQOSA-N 0 0 380.521 4.102 50 30 GIEARN Cc1c2c(ccc1Cl)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2 ZINC000100792671 525932946 /nfs/dbraw/zinc/93/29/46/525932946.db2.gz KLTZVGRKQBJLBK-SQFISAMPSA-N 0 0 387.823 4.001 50 30 GIEARN CSc1ccc(C=NN2C(=S)N=NC2c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000005595712 525950738 /nfs/dbraw/zinc/95/07/38/525950738.db2.gz DHLWBLSQZAGRTH-UDWIEESQSA-N 0 0 392.513 4.228 50 30 GIEARN Cc1ccc(C(=O)/C(=N/Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 ZINC000101077123 526012848 /nfs/dbraw/zinc/01/28/48/526012848.db2.gz LHKYJJMSRJZZGO-LHLOQNFPSA-N 0 0 383.407 4.196 50 30 GIEARN C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)N(C)C1(C#N)CCCCC1 ZINC000009157751 526016983 /nfs/dbraw/zinc/01/69/83/526016983.db2.gz CPDMVSBNMTUPLR-ZDUSSCGKSA-N 0 0 399.545 4.109 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 ZINC000017058132 526027090 /nfs/dbraw/zinc/02/70/90/526027090.db2.gz HGCQFXZLGGYWHQ-NRFANRHFSA-N 0 0 384.435 4.169 50 30 GIEARN CSc1nc(/N=C/N(C)C)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000100381525 526208299 /nfs/dbraw/zinc/20/82/99/526208299.db2.gz JWLVGASJKITCHF-QPSGOUHRSA-N 0 0 397.348 4.248 50 30 GIEARN N#CCCSc1ccccc1NC(=O)c1cccc(CN2CCCC2=O)c1 ZINC000095953573 526463733 /nfs/dbraw/zinc/46/37/33/526463733.db2.gz JMDXUEJTTGJFSP-UHFFFAOYSA-N 0 0 379.485 4.067 50 30 GIEARN N#CCCn1cc(/C=C/C(=O)NCc2cnn(-c3ccccc3)c2)c2ccccc21 ZINC000010488214 526466035 /nfs/dbraw/zinc/46/60/35/526466035.db2.gz FEKVMFDQWXVSBJ-VAWYXSNFSA-N 0 0 395.466 4.070 50 30 GIEARN N#CC1C=C(OC(=O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000000651206 526512027 /nfs/dbraw/zinc/51/20/27/526512027.db2.gz JINKPBGRSFNWDA-LJQANCHMSA-N 0 0 380.403 4.437 50 30 GIEARN O=C1CCCC2=Nc3nc(SCc4cccnc4)nn3[C@@H](c3ccsc3)C12 ZINC000018200065 526969947 /nfs/dbraw/zinc/96/99/47/526969947.db2.gz YQRLRBHWWZFZIE-KRWDZBQOSA-N 0 0 395.513 4.049 50 30 GIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000017029155 527024050 /nfs/dbraw/zinc/02/40/50/527024050.db2.gz OHKQPIVUEOADSO-YUNKPMOVSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000040286820 527031258 /nfs/dbraw/zinc/03/12/58/527031258.db2.gz GNEXLBWRECTLQB-KUHUBIRLSA-N 0 0 376.391 4.188 50 30 GIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000017029149 527033132 /nfs/dbraw/zinc/03/31/32/527033132.db2.gz OHKQPIVUEOADSO-MPBGBICISA-N 0 0 392.846 4.053 50 30 GIEARN O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccccc1 ZINC000009363685 527040797 /nfs/dbraw/zinc/04/07/97/527040797.db2.gz JPKLBERGUZDEHT-KWJZBXMYSA-N 0 0 375.453 4.111 50 30 GIEARN O=S(=O)(N=C(Nc1ccc(F)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016777057 527159705 /nfs/dbraw/zinc/15/97/05/527159705.db2.gz MIEXXFLHCCMOBH-UHFFFAOYSA-N 0 0 395.670 4.395 50 30 GIEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000100720591 527359470 /nfs/dbraw/zinc/35/94/70/527359470.db2.gz GRKCIXGRANOVEG-VCHYOVAHSA-N 0 0 397.303 4.117 50 30 GIEARN C=CCn1c2ccccc2nc1S[C@@H](C)C(=O)NCc1ccc(OC)cc1 ZINC000004485637 527361477 /nfs/dbraw/zinc/36/14/77/527361477.db2.gz CCEALRDLYIEDKC-HNNXBMFYSA-N 0 0 381.501 4.028 50 30 GIEARN C=CCn1c2nc(-c3cccc(OC)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604636 527361736 /nfs/dbraw/zinc/36/17/36/527361736.db2.gz XUGZWPBGGKFHFA-UHFFFAOYSA-N 0 0 375.400 4.253 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000244723504 527539775 /nfs/dbraw/zinc/53/97/75/527539775.db2.gz MCUDEDPPAXZLIE-UHFFFAOYSA-N 0 0 380.521 4.299 50 30 GIEARN C=CCN(C(=O)c1cc(=O)[nH]c2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000016050548 527548221 /nfs/dbraw/zinc/54/82/21/527548221.db2.gz HOCSVPODKPQDJD-UHFFFAOYSA-N 0 0 387.464 4.484 50 30 GIEARN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000100021427 527661732 /nfs/dbraw/zinc/66/17/32/527661732.db2.gz KCEJJSGJNCSQFI-UHFFFAOYSA-N 0 0 395.937 4.482 50 30 GIEARN CCOC(=O)c1ccc(NC(=Nc2ccccc2)n2sc(C)cc2=N)cc1 ZINC000020168788 528196429 /nfs/dbraw/zinc/19/64/29/528196429.db2.gz MOLMJGKQEUFMGS-UHFFFAOYSA-N 0 0 380.473 4.162 50 30 GIEARN Cc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(Cl)c2)c1 ZINC000046125928 570209873 /nfs/dbraw/zinc/20/98/73/570209873.db2.gz KWDWFPYOEYACOI-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cc(C)cc(C)c2)c1 ZINC000046126249 570210003 /nfs/dbraw/zinc/21/00/03/570210003.db2.gz DFBNSLWJQWHDAN-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN Cc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(Cl)c2)c1 ZINC000046127771 570210530 /nfs/dbraw/zinc/21/05/30/570210530.db2.gz AWRNYOZZZPAEAB-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(F)c2)cc1 ZINC000046128212 570210553 /nfs/dbraw/zinc/21/05/53/570210553.db2.gz JWZBRYIOODBWLV-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cc(C)ccc2C)c1 ZINC000046127551 570210569 /nfs/dbraw/zinc/21/05/69/570210569.db2.gz GMWWZYUCPGPREL-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CC(C)(C)c1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)cc1 ZINC000046128947 570210803 /nfs/dbraw/zinc/21/08/03/570210803.db2.gz WXMKVNFCWAOZAY-HXUWFJFHSA-N 0 0 379.504 4.361 50 30 GIEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cc(F)cc(F)c2)cc1C ZINC000046128693 570210874 /nfs/dbraw/zinc/21/08/74/570210874.db2.gz NMUXFCLKJSKWFU-UHFFFAOYSA-N 0 0 394.425 4.375 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)cc(C)c2)cc1 ZINC000046131540 570211910 /nfs/dbraw/zinc/21/19/10/570211910.db2.gz FWLYUNYPWUNRQG-NRFANRHFSA-N 0 0 379.504 4.243 50 30 GIEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@H]2CCCO2)c1 ZINC000046131472 570211929 /nfs/dbraw/zinc/21/19/29/570211929.db2.gz PWXWFHJUXKBHNB-OAQYLSRUSA-N 0 0 379.504 4.297 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(Cl)c1 ZINC000000654697 570214689 /nfs/dbraw/zinc/21/46/89/570214689.db2.gz KUUHSYLFMJTYRB-SFHVURJKSA-N 0 0 395.842 4.090 50 30 GIEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000000677278 570216345 /nfs/dbraw/zinc/21/63/45/570216345.db2.gz TZRKAOXTUDSBRI-OAQYLSRUSA-N 0 0 381.472 4.236 50 30 GIEARN O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000019791030 570219564 /nfs/dbraw/zinc/21/95/64/570219564.db2.gz OGEGDFFXYOXCRF-CIAFOILYSA-N 0 0 393.274 4.053 50 30 GIEARN N#Cc1cccc(Oc2ccc(NC(=O)N3CCC(n4ccnc4)CC3)cc2)c1 ZINC000111766758 570220275 /nfs/dbraw/zinc/22/02/75/570220275.db2.gz BUAWUNQSMHAKCG-UHFFFAOYSA-N 0 0 387.443 4.416 50 30 GIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CC(C)(C)CC2=O)N1 ZINC000000820490 570225186 /nfs/dbraw/zinc/22/51/86/570225186.db2.gz QEQGQCSZHSJGPU-LJQANCHMSA-N 0 0 398.459 4.150 50 30 GIEARN COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1OC ZINC000000832702 570225498 /nfs/dbraw/zinc/22/54/98/570225498.db2.gz YKTRXNDOVJDMTN-IFMALSPDSA-N 0 0 387.435 4.110 50 30 GIEARN Cc1ccc(O)c(C(=O)C2=CSc3nnc(-c4ccc(Cl)cc4)n3N=C2)c1 ZINC000000988390 570233290 /nfs/dbraw/zinc/23/32/90/570233290.db2.gz GYAZHCJEEIIEQQ-UHFFFAOYSA-N 0 0 396.859 4.319 50 30 GIEARN COc1ccc(/C=N/N2C(=O)/C(=C/c3cccs3)N=C2c2ccccc2)cc1 ZINC000001036482 570236942 /nfs/dbraw/zinc/23/69/42/570236942.db2.gz UENXRZCUPKPCHE-PDIADDBYSA-N 0 0 387.464 4.421 50 30 GIEARN FC(F)(F)c1cc(NC(=S)N/N=C/c2ccccn2)cc(C(F)(F)F)c1 ZINC000001048206 570238627 /nfs/dbraw/zinc/23/86/27/570238627.db2.gz BTYMNVZPZXXQES-LIMNOBDPSA-N 0 0 392.328 4.440 50 30 GIEARN C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000014009911 570242876 /nfs/dbraw/zinc/24/28/76/570242876.db2.gz XKIIKLXGIXAIEE-MFOYZWKCSA-N 0 0 390.270 4.480 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccncc1 ZINC000000778520 570250537 /nfs/dbraw/zinc/25/05/37/570250537.db2.gz IYBZWOANYNAOSM-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN CC(C)(O)C#Cc1ccc([C@H]2SCCN2C(=S)Nc2ccccc2)cc1 ZINC000001101471 570251756 /nfs/dbraw/zinc/25/17/56/570251756.db2.gz WZALPTJZAHLRKP-LJQANCHMSA-N 0 0 382.554 4.253 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000001819423 570252374 /nfs/dbraw/zinc/25/23/74/570252374.db2.gz OZZNCTBNCIOMAM-YBEGLDIGSA-N 0 0 384.775 4.158 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000002284637 570252830 /nfs/dbraw/zinc/25/28/30/570252830.db2.gz BYKRUCPZEOAJTK-YVLHZVERSA-N 0 0 384.775 4.158 50 30 GIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1OC ZINC000001242064 570259684 /nfs/dbraw/zinc/25/96/84/570259684.db2.gz JPZRNLINTYKGFZ-RGVLZGJSSA-N 0 0 388.880 4.177 50 30 GIEARN CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3C)C3=C2CCCC3=O)s1 ZINC000001445790 570263384 /nfs/dbraw/zinc/26/33/84/570263384.db2.gz HRDNYLXRDDGDFC-AWEZNQCLSA-N 0 0 399.541 4.486 50 30 GIEARN Oc1ccc(Br)cc1C=NNC(=Nc1ccccc1)c1ccccn1 ZINC000001958567 570271101 /nfs/dbraw/zinc/27/11/01/570271101.db2.gz JBGNXCXBANVQPK-LPYMAVHISA-N 0 0 395.260 4.443 50 30 GIEARN O=C1c2ccccc2C(NS(=O)(=O)c2cccs2)=CC1=Nc1ccccc1 ZINC000100478429 570272636 /nfs/dbraw/zinc/27/26/36/570272636.db2.gz HBKSVQFOBQYYEZ-XLNRJJMWSA-N 0 0 394.477 4.118 50 30 aggregator GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000002063664 570273230 /nfs/dbraw/zinc/27/32/30/570273230.db2.gz WUSLVXDSCKQSOK-FQEVSTJZSA-N 0 0 383.488 4.252 50 30 GIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1 ZINC000020808052 570284121 /nfs/dbraw/zinc/28/41/21/570284121.db2.gz UOAUAVHTMKVVHY-KRWDZBQOSA-N 0 0 377.831 4.216 50 30 GIEARN N#Cc1ccc(-c2ccc(Oc3ccc4nnc(C(F)(F)F)n4n3)cc2)cc1 ZINC000012924352 570295727 /nfs/dbraw/zinc/29/57/27/570295727.db2.gz YKUILLZVQVMGLM-UHFFFAOYSA-N 0 0 381.317 4.474 50 30 GIEARN C=CCN(C(=O)c1cccc(NC(=O)OCC)c1)c1nc2c(s1)CCCC2 ZINC000029763113 570311141 /nfs/dbraw/zinc/31/11/41/570311141.db2.gz MRDCFJHHDKXIIN-UHFFFAOYSA-N 0 0 385.489 4.423 50 30 GIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012938633 570313198 /nfs/dbraw/zinc/31/31/98/570313198.db2.gz RYECYLFLIUTCKA-XOBRGWDASA-N 0 0 380.444 4.432 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012938626 570313236 /nfs/dbraw/zinc/31/32/36/570313236.db2.gz RYECYLFLIUTCKA-VLIAUNLRSA-N 0 0 380.444 4.432 50 30 GIEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2ccsc2)CC1 ZINC000023873420 570333645 /nfs/dbraw/zinc/33/36/45/570333645.db2.gz NJGSGVZGAXHKPV-UHFFFAOYSA-N 0 0 387.508 4.245 50 30 GIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCc2ccccc2C1 ZINC000035400084 570350396 /nfs/dbraw/zinc/35/03/96/570350396.db2.gz CXHNELIFHSHXKI-OAHLLOKOSA-N 0 0 379.529 4.274 50 30 GIEARN COc1ccc(O)c(CN=Nc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000004092164 570357073 /nfs/dbraw/zinc/35/70/73/570357073.db2.gz KSYZEJIQZNCEAW-BUVRLJJBSA-N 0 0 384.439 4.381 50 30 GIEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000004898771 570358633 /nfs/dbraw/zinc/35/86/33/570358633.db2.gz WTXYTRDODISRJZ-SQULJVTFSA-N 0 0 381.501 4.329 50 30 GIEARN CCC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000004899380 570358638 /nfs/dbraw/zinc/35/86/38/570358638.db2.gz STJRTMJUYULVQZ-YGHXBTADSA-N 0 0 381.501 4.329 50 30 GIEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000002858503 570391104 /nfs/dbraw/zinc/39/11/04/570391104.db2.gz KVDKKGBKJMCJBY-OAHLLOKOSA-N 0 0 396.491 4.387 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002874307 570394477 /nfs/dbraw/zinc/39/44/77/570394477.db2.gz MVVWQIFGLFTBIW-KRWDZBQOSA-N 0 0 393.428 4.228 50 30 GIEARN C=CCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000002812409 570402187 /nfs/dbraw/zinc/40/21/87/570402187.db2.gz OVTPINAIVKIBDI-UHFFFAOYSA-N 0 0 396.874 4.145 50 30 biogenic,in-vitro GIEARN CCOC(=O)c1c(C)nc2c(c1-c1ccccc1OC)C(=NO)CC(C)(C)C2 ZINC000252589063 570419629 /nfs/dbraw/zinc/41/96/29/570419629.db2.gz AGRFLSNCNPVTJI-UHFFFAOYSA-N 0 0 382.460 4.393 50 30 GIEARN Cc1ccc(Nc2nc3ccccn3c(=O)c2/C=N/CCc2ccccc2)cc1 ZINC000026965131 570430559 /nfs/dbraw/zinc/43/05/59/570430559.db2.gz KLIIFZATWMMIGG-KOEQRZSOSA-N 0 0 382.467 4.408 50 30 GIEARN CCOc1ccc(/C=N/n2c(COc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001818064 570436196 /nfs/dbraw/zinc/43/61/96/570436196.db2.gz HVBSXFMALCMIDX-PCLIKHOPSA-N 0 0 399.450 4.256 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 ZINC000253534484 570445475 /nfs/dbraw/zinc/44/54/75/570445475.db2.gz AKMGOLMVBIBATQ-UQGGMKPISA-N 0 0 382.548 4.386 50 30 GIEARN C#CCOc1cc(F)ccc1NC(=O)c1csc(-c2ccccc2OC)n1 ZINC000155117560 570447166 /nfs/dbraw/zinc/44/71/66/570447166.db2.gz UHTKQKOEGYCMRE-UHFFFAOYSA-N 0 0 382.416 4.222 50 30 GIEARN COc1ccc(O)c(/C=N/CCCCCC/N=C/c2cc(OC)ccc2O)c1 ZINC000001953411 570451131 /nfs/dbraw/zinc/45/11/31/570451131.db2.gz PHWCAQKUSQFUII-DFEHQXHXSA-N 0 0 384.476 4.213 50 30 GIEARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000329774683 570471208 /nfs/dbraw/zinc/47/12/08/570471208.db2.gz MLEHVSXHEJWUGG-JHVJFLLYSA-N 0 0 379.456 4.266 50 30 GIEARN C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 ZINC000006561211 570478276 /nfs/dbraw/zinc/47/82/76/570478276.db2.gz XVYBNTPBLIRZLF-UHFFFAOYSA-N 0 0 382.445 4.340 50 30 GIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C ZINC000252617885 570478475 /nfs/dbraw/zinc/47/84/75/570478475.db2.gz LAKOQJCNXOHSFQ-GOSISDBHSA-N 0 0 397.475 4.280 50 30 GIEARN CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=Nc1ccc(OC)cc1 ZINC000252607173 570479017 /nfs/dbraw/zinc/47/90/17/570479017.db2.gz GYXVNZKQAMKVOK-SBRLEDFTSA-N 0 0 398.484 4.423 50 30 GIEARN N#Cc1cccc(NC(=O)N2CC(Cc3ccccc3OC(F)(F)F)C2)c1 ZINC000072306260 570524128 /nfs/dbraw/zinc/52/41/28/570524128.db2.gz NQVMJJJOXANDIH-UHFFFAOYSA-N 0 0 375.350 4.163 50 30 GIEARN C=CCn1c(SCc2ccc(C(N)=O)cc2)nnc1-c1ccccc1Cl ZINC000006696601 570539743 /nfs/dbraw/zinc/53/97/43/570539743.db2.gz IAEZHDIQRRWCRF-UHFFFAOYSA-N 0 0 384.892 4.176 50 30 GIEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003073719 570572677 /nfs/dbraw/zinc/57/26/77/570572677.db2.gz JMOIRWPQAWNSJQ-OAQYLSRUSA-N 0 0 378.516 4.303 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1F ZINC000225512445 570582343 /nfs/dbraw/zinc/58/23/43/570582343.db2.gz BOFLBYDMPZMDEL-UGKGYDQZSA-N 0 0 398.430 4.162 50 30 GIEARN COc1ccc(/C(C)=N/OCO/N=C(/C)c2ccc(OC)c(F)c2)cc1F ZINC000012407064 570654462 /nfs/dbraw/zinc/65/44/62/570654462.db2.gz IMOYSHKCOKAHGC-SEKXJNOLSA-N 0 0 378.375 4.121 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2F)cc1 ZINC000005079436 570656699 /nfs/dbraw/zinc/65/66/99/570656699.db2.gz NFKSCYAHORUVHN-BJMVGYQFSA-N 0 0 389.810 4.239 50 30 GIEARN O=C1C[C@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3cccc(F)c3)C12 ZINC000012409831 570663074 /nfs/dbraw/zinc/66/30/74/570663074.db2.gz NJACRGHMINFQHK-DIFFPNOSSA-N 0 0 382.420 4.250 50 30 GIEARN Cc1sc2ncn(/N=C/C=C3\N(C)c4ccccc4C3(C)C)c(=O)c2c1C ZINC000012444604 570665437 /nfs/dbraw/zinc/66/54/37/570665437.db2.gz ASGFYKQYSVGNFZ-HENZHIBLSA-N 0 0 378.501 4.220 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1F)CN(Cc1ccco1)CO3 ZINC000013690020 570668476 /nfs/dbraw/zinc/66/84/76/570668476.db2.gz QWNKQEBGYWPQHS-JMIUGGIZSA-N 0 0 377.371 4.387 50 30 GIEARN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1C ZINC000013747513 570674566 /nfs/dbraw/zinc/67/45/66/570674566.db2.gz LQHIPYZYMPHJED-UHFFFAOYSA-N 0 0 389.249 4.045 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)cc(OC)c1 ZINC000241338539 570686390 /nfs/dbraw/zinc/68/63/90/570686390.db2.gz MBNFAKWBDNWBIJ-GMAHTHKFSA-N 0 0 394.467 4.332 50 30 GIEARN C=CCn1c(C)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006909407 570699267 /nfs/dbraw/zinc/69/92/67/570699267.db2.gz NYMMVGDNZRMRPC-GOSISDBHSA-N 0 0 382.464 4.384 50 30 GIEARN C[C@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878800 570703299 /nfs/dbraw/zinc/70/32/99/570703299.db2.gz DNWDKRSFUCOBDM-GUYCJALGSA-N 0 0 379.526 4.047 50 30 GIEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000004362968 570710679 /nfs/dbraw/zinc/71/06/79/570710679.db2.gz FFCOJYQQGGRSOP-UHFFFAOYSA-N 0 0 392.440 4.264 50 30 GIEARN C[C@H](Nc1ccc(CC#N)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012789997 570713923 /nfs/dbraw/zinc/71/39/23/570713923.db2.gz NATKTEJPTUFVBO-AWEZNQCLSA-N 0 0 378.501 4.394 50 30 GIEARN O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@H]1Cc1cccc(Cl)c1 ZINC000012843724 570723862 /nfs/dbraw/zinc/72/38/62/570723862.db2.gz HHKKZZFMGBMEIT-VYXQJKENSA-N 0 0 378.284 4.158 50 30 GIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O ZINC000004385961 570726603 /nfs/dbraw/zinc/72/66/03/570726603.db2.gz BEEVUFQCTZAWSK-IBGZPJMESA-N 0 0 389.499 4.234 50 30 GIEARN CCOc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2c1 ZINC000000976340 570741707 /nfs/dbraw/zinc/74/17/07/570741707.db2.gz FKUHMVCSPNZHFA-UHFFFAOYSA-N 0 0 381.432 4.375 50 30 GIEARN CCOC(=O)c1sc(/N=C/c2cc(Br)ccc2O)c(C#N)c1C ZINC000001009507 570746422 /nfs/dbraw/zinc/74/64/22/570746422.db2.gz VZFXTDVRKPUPSY-UFWORHAWSA-N 0 0 393.262 4.324 50 30 GIEARN COCc1cc(C)nc(SCC(=O)Nc2ccccc2C(F)(F)F)c1C#N ZINC000001074283 570750376 /nfs/dbraw/zinc/75/03/76/570750376.db2.gz SHRKCCCDEOGOSU-UHFFFAOYSA-N 0 0 395.406 4.158 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccncc1 ZINC000006907614 570750485 /nfs/dbraw/zinc/75/04/85/570750485.db2.gz ZTXJUPCABFKCFL-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN Cc1cc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)no1 ZINC000013143732 570763938 /nfs/dbraw/zinc/76/39/38/570763938.db2.gz JAXMCXRODWCUIR-UHFFFAOYSA-N 0 0 389.864 4.192 50 30 GIEARN CCOC(=O)c1sc2nc(C)nc(Oc3ccc(C#N)cc3OC)c2c1C ZINC000015170550 570786607 /nfs/dbraw/zinc/78/66/07/570786607.db2.gz FRVHCCAAXGNZIM-UHFFFAOYSA-N 0 0 383.429 4.157 50 30 GIEARN C=CCNC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc2c1CCCC2 ZINC000005815633 570786974 /nfs/dbraw/zinc/78/69/74/570786974.db2.gz SBXYTCWRMQWWSV-UHFFFAOYSA-N 0 0 398.528 4.177 50 30 GIEARN CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000004450366 570788651 /nfs/dbraw/zinc/78/86/51/570788651.db2.gz GBJWABJKOOVKKW-ZLNRFVROSA-N 0 0 383.451 4.076 50 30 GIEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000004475043 570798506 /nfs/dbraw/zinc/79/85/06/570798506.db2.gz CRWMKVCGMZDMIO-SXGWCWSVSA-N 0 0 388.217 4.126 50 30 GIEARN Cc1cc(SCC(=O)N2CCCCCC2)n2c3ccccc3nc2c1C#N ZINC000004485081 570805889 /nfs/dbraw/zinc/80/58/89/570805889.db2.gz AWBSFUOOYDTJMU-UHFFFAOYSA-N 0 0 378.501 4.162 50 30 GIEARN COc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1O ZINC000018197504 570808528 /nfs/dbraw/zinc/80/85/28/570808528.db2.gz PDVKLODPMFZVHL-OAQYLSRUSA-N 0 0 393.439 4.330 50 30 GIEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)S2)cc1 ZINC000014008727 570814517 /nfs/dbraw/zinc/81/45/17/570814517.db2.gz FNFCZZBILBMWRO-XDHOZWIPSA-N 0 0 398.484 4.383 50 30 GIEARN CCOc1ccc(C(=O)CCC(=O)Nc2n[nH]c(-c3ccccc3OC)n2)cc1 ZINC000052778679 570817386 /nfs/dbraw/zinc/81/73/86/570817386.db2.gz ARDBQVCFPGQIOY-UHFFFAOYSA-N 0 0 394.431 4.130 50 30 GIEARN Fc1ccccc1COc1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000004511764 570825797 /nfs/dbraw/zinc/82/57/97/570825797.db2.gz UYRWHBNTZGHJRI-MFKUBSTISA-N 0 0 393.487 4.403 50 30 GIEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1OC ZINC000004684685 570830167 /nfs/dbraw/zinc/83/01/67/570830167.db2.gz HARWMGWGOOXNIK-QFIPXVFZSA-N 0 0 389.455 4.466 50 30 GIEARN COCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1 ZINC000101828021 570836189 /nfs/dbraw/zinc/83/61/89/570836189.db2.gz HZLJRPFEIMDXKV-HYARGMPZSA-N 0 0 392.484 4.310 50 30 GIEARN O=C1c2ccccc2C(=O)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000102034742 570840752 /nfs/dbraw/zinc/84/07/52/570840752.db2.gz NNTCQXQYELVCPE-UHFFFAOYSA-N 0 0 389.173 4.019 50 30 GIEARN N#CCCn1c2ccccc2nc1SCCC(=O)N1CCc2ccccc21 ZINC000032871099 570869902 /nfs/dbraw/zinc/86/99/02/570869902.db2.gz KJXJEBFZAQSNMR-UHFFFAOYSA-N 0 0 376.485 4.021 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1 ZINC000170615363 570872923 /nfs/dbraw/zinc/87/29/23/570872923.db2.gz WZGTXRLXEMMMBX-IRLDBZIGSA-N 0 0 380.440 4.023 50 30 GIEARN CCCCCCCCN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 ZINC000103009744 570873111 /nfs/dbraw/zinc/87/31/11/570873111.db2.gz JECHVCHGXWNCIZ-UHFFFAOYSA-N 0 0 391.523 4.454 50 30 GIEARN C#CC[C@H](OC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 ZINC000170626569 570883932 /nfs/dbraw/zinc/88/39/32/570883932.db2.gz OMQTZTYITVJPOT-HNNXBMFYSA-N 0 0 387.317 4.072 50 30 GIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccsc2)NC(=O)N1c1ccc(C#N)cc1 ZINC000032891513 570888875 /nfs/dbraw/zinc/88/88/75/570888875.db2.gz DVUYFMVWRNJOKY-SFHVURJKSA-N 0 0 381.457 4.116 50 30 GIEARN Cc1nc(-c2ccc(CNC(=O)c3c(C)oc(-n4cccc4)c3C#N)o2)cs1 ZINC000012619513 570891706 /nfs/dbraw/zinc/89/17/06/570891706.db2.gz BQMYYUVQVHZUSY-UHFFFAOYSA-N 0 0 392.440 4.205 50 30 GIEARN N#C[C@@H](C(=O)Nc1cccnc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000089773193 570912136 /nfs/dbraw/zinc/91/21/36/570912136.db2.gz IGAFMPWZWITWKC-MRVPVSSYSA-N 0 0 375.137 4.048 50 30 GIEARN N#Cc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000007574170 570916253 /nfs/dbraw/zinc/91/62/53/570916253.db2.gz WJKJIJDWMLARGM-UHFFFAOYSA-N 0 0 398.249 4.327 50 30 GIEARN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000089921993 570919727 /nfs/dbraw/zinc/91/97/27/570919727.db2.gz SQIUJGBXYIOUMR-LRDDRELGSA-N 0 0 379.485 4.345 50 30 GIEARN N#Cc1c(NC(=O)Cc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153766 570919812 /nfs/dbraw/zinc/91/98/12/570919812.db2.gz XDJMWIKWLUAXIR-UHFFFAOYSA-N 0 0 387.508 4.359 50 30 GIEARN Cc1c(N=C/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C ZINC000263592335 570935145 /nfs/dbraw/zinc/93/51/45/570935145.db2.gz ZDBHDXWPCYLXHP-BVNICVDASA-N 0 0 386.499 4.498 50 30 GIEARN Cn1c2ccc(Cl)cc2nc1SCC(=O)NC1(C#N)CCCCCC1 ZINC000046882552 570935536 /nfs/dbraw/zinc/93/55/36/570935536.db2.gz MWBNVAWPYZXREF-UHFFFAOYSA-N 0 0 376.913 4.052 50 30 GIEARN N#Cc1c(NC(=S)NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 ZINC000001260236 570950680 /nfs/dbraw/zinc/95/06/80/570950680.db2.gz UHQXLCPUNFUXRM-UHFFFAOYSA-N 0 0 375.906 4.279 50 30 GIEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccsc2)n1 ZINC000018177612 570951289 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C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005429417 518799060 /nfs/dbraw/zinc/79/90/60/518799060.db2.gz HJMBNNCEQIQFJH-UHFFFAOYSA-N 0 0 398.806 4.127 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CCCC2)cc1 ZINC000037557307 518901294 /nfs/dbraw/zinc/90/12/94/518901294.db2.gz NVXYUAAABIBGSZ-UHFFFAOYSA-N 0 0 376.500 4.255 50 30 GIEARN C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCC(C)C)c1 ZINC000037600365 518903110 /nfs/dbraw/zinc/90/31/10/518903110.db2.gz ICQMITLBXNHIEB-UHFFFAOYSA-N 0 0 397.494 4.043 50 30 GIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(C)cc2)cc1 ZINC000016741318 519019099 /nfs/dbraw/zinc/01/90/99/519019099.db2.gz NFGYKZRFMHUYIX-NRFANRHFSA-N 0 0 389.451 4.324 50 30 GIEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3OCC)cs2)c1C ZINC000033019257 519122763 /nfs/dbraw/zinc/12/27/63/519122763.db2.gz AGHPPUMHVXRIKJ-UHFFFAOYSA-N 0 0 396.516 4.254 50 30 GIEARN C=CCc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1O ZINC000017299886 519124485 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CC(=O)N(c1ccccc1)C1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O ZINC000012379338 519471790 /nfs/dbraw/zinc/47/17/90/519471790.db2.gz MWARYLTTYIWUDE-UHFFFAOYSA-N 0 0 382.419 4.442 50 30 GIEARN CC(=O)O[C@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243878 519758317 /nfs/dbraw/zinc/75/83/17/519758317.db2.gz HJMJDULWIZHBIX-DNQXCXABSA-N 0 0 376.500 4.177 50 30 GIEARN CCCCCCCCCCCCN1C(=O)CS(=O)(=O)[C@H]1c1cccnc1 ZINC000095707557 520007680 /nfs/dbraw/zinc/00/76/80/520007680.db2.gz ADOJQJKBNSUEAO-FQEVSTJZSA-N 0 0 380.554 4.258 50 30 GIEARN CCCCCCCNC(=C1C(=O)C(=O)N(c2ccccc2)C1=O)c1ccccc1 ZINC000100399770 520051369 /nfs/dbraw/zinc/05/13/69/520051369.db2.gz QAWRUKAKJOZSJZ-QZQOTICOSA-N 0 0 390.483 4.100 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(Cl)cc1 ZINC000101285050 520060172 /nfs/dbraw/zinc/06/01/72/520060172.db2.gz UHHBNAIRPKUJFH-KRWDZBQOSA-N 0 0 389.887 4.129 50 30 GIEARN CC1(C)C=Cc2cc(C(=N)NOC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 ZINC000004362142 520252389 /nfs/dbraw/zinc/25/23/89/520252389.db2.gz 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CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000005900370 520517667 /nfs/dbraw/zinc/51/76/67/520517667.db2.gz GMDXRYZCZHWBII-NDENLUEZSA-N 0 0 397.427 4.161 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cccc(O)c2)C1=O ZINC000036258265 520537331 /nfs/dbraw/zinc/53/73/31/520537331.db2.gz RTCWXXDGHVWHMQ-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036258448 520537895 /nfs/dbraw/zinc/53/78/95/520537895.db2.gz OGKHXRVFSFETKU-MHWRWJLKSA-N 0 0 399.443 4.383 50 30 GIEARN CCC[C@@H](C#N)NC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096315817 520574877 /nfs/dbraw/zinc/57/48/77/520574877.db2.gz NWCQYRWXCKWPAZ-MTVZPNFRSA-N 0 0 384.483 4.420 50 30 GIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2 ZINC000020647852 520741966 /nfs/dbraw/zinc/74/19/66/520741966.db2.gz STFQTDWPPDEYKE-CIAFOILYSA-N 0 0 376.456 4.342 50 30 GIEARN CCOc1ccc(-c2cs/c(=N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000033337728 520810613 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/nfs/dbraw/zinc/93/77/21/521937721.db2.gz SKAOXACCZOQGQL-VOTSOKGWSA-N 0 0 392.835 4.279 50 30 GIEARN COc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc(OC)c1OC ZINC000018146023 521968466 /nfs/dbraw/zinc/96/84/66/521968466.db2.gz FYPUAPMQFNXAAT-WQRHYEAKSA-N 0 0 398.484 4.221 50 30 GIEARN COc1cc(/C=C\C(=O)N(C)[C@H]2CCCc3ccccc32)ccc1OCC#N ZINC000096822876 521979535 /nfs/dbraw/zinc/97/95/35/521979535.db2.gz JBAZJKNZDITHHR-ZQGDAAQZSA-N 0 0 376.456 4.147 50 30 GIEARN COc1cc(C=NNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000006995747 521994138 /nfs/dbraw/zinc/99/41/38/521994138.db2.gz NUUUXIIEYXLQHH-PXLXIMEGSA-N 0 0 396.468 4.217 50 30 GIEARN COC(=O)c1ccccc1NC=C(C(=O)c1ccc(C)cc1)C(=O)C(F)(F)F ZINC000100862413 522267835 /nfs/dbraw/zinc/26/78/35/522267835.db2.gz BKAXYGNOODGZHU-PTNGSMBKSA-N 0 0 391.345 4.092 50 30 GIEARN COC(=O)C(C(=O)CSc1ccc(F)c(Cl)c1)=C1Nc2ccccc2N1 ZINC000022848070 522745887 /nfs/dbraw/zinc/74/58/87/522745887.db2.gz JDPMVDOCZHMGGL-UHFFFAOYSA-N 0 0 392.839 4.063 50 30 GIEARN CCc1nnsc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000022740122 522807607 /nfs/dbraw/zinc/80/76/07/522807607.db2.gz LKNRZDFYJMFQIM-UHFFFAOYSA-N 0 0 381.483 4.020 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000019798643 522881304 /nfs/dbraw/zinc/88/13/04/522881304.db2.gz SVGAPJSSFZVHQU-JTSKRJEESA-N 0 0 391.442 4.360 50 30 GIEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000013721198 522934665 /nfs/dbraw/zinc/93/46/65/522934665.db2.gz SLOHRBHYOMKKSM-GOSISDBHSA-N 0 0 398.459 4.209 50 30 GIEARN CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100567780 523129374 /nfs/dbraw/zinc/12/93/74/523129374.db2.gz XHWQPGMAHKBRBX-VPSQOLIPSA-N 0 0 384.392 4.135 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006782315 523284831 /nfs/dbraw/zinc/28/48/31/523284831.db2.gz XKGXKPKSNMFXGZ-LJQANCHMSA-N 0 0 383.444 4.018 50 30 GIEARN CCn1c2ccccc2nc1S[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000006652795 523290070 /nfs/dbraw/zinc/29/00/70/523290070.db2.gz QACBTJICUQOXPC-MRXNPFEDSA-N 0 0 378.501 4.484 50 30 GIEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCCC4)o3)S2)cc1 ZINC000017167357 523469973 /nfs/dbraw/zinc/46/99/73/523469973.db2.gz IWYUVRQWTVQTJK-LGMDPLHJSA-N 0 0 383.473 4.170 50 30 GIEARN COc1ccc(C(=O)O/N=C2/C=C(C(C)C)C(=O)C=C2C)cc1Br ZINC000006830139 523769891 /nfs/dbraw/zinc/76/98/91/523769891.db2.gz MSMITGQQFCMOAG-HKWRFOASSA-N 0 0 392.249 4.082 50 30 GIEARN COc1ccc(C(=O)O/N=C/c2c(-c3ccccc3)nc3sccn23)cc1 ZINC000008311020 523770957 /nfs/dbraw/zinc/77/09/57/523770957.db2.gz QXCHHVXOEKRYPN-FYJGNVAPSA-N 0 0 377.425 4.262 50 30 GIEARN COCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000019814527 523787560 /nfs/dbraw/zinc/78/75/60/523787560.db2.gz ZSVSAXZGJHENKB-DNLCFCFBSA-N 0 0 377.469 4.418 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102534123 524034153 /nfs/dbraw/zinc/03/41/53/524034153.db2.gz WFCBCPVWYICAIC-SELCWUDQSA-N 0 0 394.452 4.233 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102881983 524051677 /nfs/dbraw/zinc/05/16/77/524051677.db2.gz VBBQDNCIVZHOIP-WOOAAIBNSA-N 0 0 392.411 4.073 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102668416 524052123 /nfs/dbraw/zinc/05/21/23/524052123.db2.gz WBDTWXGFWNEUKI-NHFXJNLRSA-N 0 0 388.423 4.172 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ccc3c(c2)OCCO3)c1 ZINC000003307614 524409037 /nfs/dbraw/zinc/40/90/37/524409037.db2.gz WTNQQKZJMQSHOR-UHFFFAOYSA-N 0 0 382.485 4.114 50 30 GIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 ZINC000002617833 524898422 /nfs/dbraw/zinc/89/84/22/524898422.db2.gz QMCGJESVCVZWSQ-UHFFFAOYSA-N 0 0 378.457 4.084 50 30 GIEARN C[C@@H]1CN(CN2c3ccccc3/C(=N/c3ccc4ccccc4c3)C2=O)C[C@H](C)O1 ZINC000012418014 524964125 /nfs/dbraw/zinc/96/41/25/524964125.db2.gz HQIRBLVXPSNJDK-ZUEXFDECSA-N 0 0 399.494 4.374 50 30 GIEARN COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)c3ccco3)c(OC)c1)C2=O ZINC000004478783 525553848 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O=C(CN1CCC(OCc2ccccc2)CC1)Nc1nnc(-c2ccccc2)o1 ZINC000032788592 570810386 /nfs/dbraw/zinc/81/03/86/570810386.db2.gz XZUNGFISGLFVGS-UHFFFAOYSA-N 0 0 392.459 4.006 50 30 GIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 ZINC000004684726 570830374 /nfs/dbraw/zinc/83/03/74/570830374.db2.gz BMSCWYQZMDXLMY-FQEVSTJZSA-N 0 0 375.428 4.063 50 30 GIEARN C=C(C)CSc1nc2ccccc2c(=O)n1Cc1ccc(OC)c(OC)c1 ZINC000007352842 570833425 /nfs/dbraw/zinc/83/34/25/570833425.db2.gz HLOQFQLXAYHLCX-UHFFFAOYSA-N 0 0 382.485 4.130 50 30 GIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1 ZINC000102045713 570839621 /nfs/dbraw/zinc/83/96/21/570839621.db2.gz WSGNOKFXYZAWOH-SFHVURJKSA-N 0 0 391.858 4.384 50 30 GIEARN C[C@@H](c1nnc(Sc2ncccc2C#N)n1-c1ccccc1)N1CCCCC1 ZINC000012546130 570847379 /nfs/dbraw/zinc/84/73/79/570847379.db2.gz ODTWKANARRTQIU-INIZCTEOSA-N 0 0 390.516 4.232 50 30 GIEARN C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)c1ccc[nH]1)CCCCC3 ZINC000004549918 570860867 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391.814 4.072 50 30 GIEARN CCC(=O)ONC(=N)c1ccc(Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000015924124 570909158 /nfs/dbraw/zinc/90/91/58/570909158.db2.gz CDOSECMPPCQIPK-UHFFFAOYSA-N 0 0 391.811 4.231 50 30 GIEARN COc1cccc(NC(=O)CN(C)Cc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000014855782 570920319 /nfs/dbraw/zinc/92/03/19/570920319.db2.gz JOCDTWNVNYVBHV-UHFFFAOYSA-N 0 0 385.467 4.304 50 30 GIEARN CN(Cc1ccccc1C#N)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000023162394 570921322 /nfs/dbraw/zinc/92/13/22/570921322.db2.gz WUDYILQLUXSMMI-UHFFFAOYSA-N 0 0 388.798 4.051 50 30 GIEARN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)no2)cc1OC ZINC000002465570 570931958 /nfs/dbraw/zinc/93/19/58/570931958.db2.gz CFIOCQHZKABRBX-UHFFFAOYSA-N 0 0 395.440 4.033 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000016971332 570936272 /nfs/dbraw/zinc/93/62/72/570936272.db2.gz ANXLLNKPSOBJTQ-FQEVSTJZSA-N 0 0 388.398 4.312 50 30 GIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2cccc3ccccc23)cc1 ZINC000006876116 570939648 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C=CCOc1ccccc1C(=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1 ZINC000091476885 570983734 /nfs/dbraw/zinc/98/37/34/570983734.db2.gz DWUYECCYHJCIRQ-UHFFFAOYSA-N 0 0 396.531 4.039 50 30 GIEARN CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130729 570987828 /nfs/dbraw/zinc/98/78/28/570987828.db2.gz IWURHNHKXLOSCA-IBGZPJMESA-N 0 0 385.895 4.279 50 30 GIEARN COc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046127430 570988099 /nfs/dbraw/zinc/98/80/99/570988099.db2.gz ZACRJCIKHJBHGH-UHFFFAOYSA-N 0 0 394.862 4.142 50 30 GIEARN CCOc1ccc(Br)c(C=Nc2ccc3oc(=O)ccc3c2)c1O ZINC000252589680 570997569 /nfs/dbraw/zinc/99/75/69/570997569.db2.gz AMNQPJQVCLJXQL-UHFFFAOYSA-N 0 0 388.217 4.410 50 30 GIEARN CC(C)(O)C#Cc1ccc([C@@H]2CC(=O)Nc3c2cnn3C2CCCCC2)s1 ZINC000065387356 571000247 /nfs/dbraw/zinc/00/02/47/571000247.db2.gz OGCXQAMYCSSHPW-MRXNPFEDSA-N 0 0 383.517 4.046 50 30 GIEARN CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccno2)s1 ZINC000065373752 571000309 /nfs/dbraw/zinc/00/03/09/571000309.db2.gz 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ZINC000252597721 571004357 /nfs/dbraw/zinc/00/43/57/571004357.db2.gz CUGCGTYXPCRTLR-UHFFFAOYSA-N 0 0 390.399 4.307 50 30 GIEARN CN1C(=O)/C(=C2\C(=O)Nc3ccc(F)cc32)SC1=Nc1ccc(Cl)cc1 ZINC000252602099 571005699 /nfs/dbraw/zinc/00/56/99/571005699.db2.gz FFJMXMKUFWLDOL-RNTFJXONSA-N 0 0 387.823 4.035 50 30 GIEARN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c(Br)c1C ZINC000001434353 571006507 /nfs/dbraw/zinc/00/65/07/571006507.db2.gz YKAJRUMRXXYMNW-CIAFOILYSA-N 0 0 389.293 4.359 50 30 GIEARN Cc1ccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)cc1 ZINC000252613156 571016811 /nfs/dbraw/zinc/01/68/11/571016811.db2.gz IZAZVDUAUBGQMH-UHFFFAOYSA-N 0 0 378.524 4.212 50 30 GIEARN COc1cccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O ZINC000252617050 571018779 /nfs/dbraw/zinc/01/87/79/571018779.db2.gz KLBJEKKAGCSPGQ-UHFFFAOYSA-N 0 0 382.235 4.422 50 30 GIEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccc(C#N)cn3)cc2)cc1C ZINC000012777046 571030651 /nfs/dbraw/zinc/03/06/51/571030651.db2.gz RFQUJLVVHVPPDB-UHFFFAOYSA-N 0 0 393.468 4.188 50 30 GIEARN Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1 ZINC000002213687 571034869 /nfs/dbraw/zinc/03/48/69/571034869.db2.gz LYQCYHWWVHIHES-UHFFFAOYSA-N 0 0 377.407 4.468 50 30 GIEARN CC[C@@H]1CCc2sc(C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779921 571037267 /nfs/dbraw/zinc/03/72/67/571037267.db2.gz ZTANFLFFKPNQJN-OCCSQVGLSA-N 0 0 388.514 4.061 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccc(OC)c1 ZINC000005499115 571043225 /nfs/dbraw/zinc/04/32/25/571043225.db2.gz KZSIURHAVCFPJX-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1OC ZINC000005499456 571043767 /nfs/dbraw/zinc/04/37/67/571043767.db2.gz NXMIYYOUGYWWEO-UHFFFAOYSA-N 0 0 382.445 4.340 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 ZINC000011456601 571046980 /nfs/dbraw/zinc/04/69/80/571046980.db2.gz IUQUEPHVERRTHP-OPAMFIHVSA-N 0 0 380.444 4.079 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1C ZINC000004814649 571047389 /nfs/dbraw/zinc/04/73/89/571047389.db2.gz SXTMUCYKIMULEU-CYBMUJFWSA-N 0 0 385.518 4.015 50 30 GIEARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000000649920 817373008 /nfs/dbraw/zinc/37/30/08/817373008.db2.gz YQPZZHWFLMDIJP-UHFFFAOYSA-N 0 0 382.411 4.051 50 30 GIEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000001168591 817374933 /nfs/dbraw/zinc/37/49/33/817374933.db2.gz BAGWDNCWRTVDBN-WYMPLXKRSA-N 0 0 379.851 4.156 50 30 GIEARN CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1 ZINC000002293136 817383109 /nfs/dbraw/zinc/38/31/09/817383109.db2.gz XKAHKUXGIWVCPM-UHFFFAOYSA-N 0 0 382.355 4.059 50 30 GIEARN O=C1CS/C(=N/N=C/c2cccc3ccccc23)N1Cc1ccc(F)cc1 ZINC000002318249 817384005 /nfs/dbraw/zinc/38/40/05/817384005.db2.gz NSARFAVUBODAKC-BZCDASSZSA-N 0 0 377.444 4.444 50 30 GIEARN C=CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000002329984 817384400 /nfs/dbraw/zinc/38/44/00/817384400.db2.gz VHFCQUVMAAOOLG-SFHVURJKSA-N 0 0 381.815 4.192 50 30 GIEARN CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000002335309 817384749 /nfs/dbraw/zinc/38/47/49/817384749.db2.gz WNARUGMAYFDEBN-GOSISDBHSA-N 0 0 393.535 4.312 50 30 GIEARN C=CCn1c(CC)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002349326 817385335 /nfs/dbraw/zinc/38/53/35/817385335.db2.gz OCDZWPDUVYZMRZ-UHFFFAOYSA-N 0 0 395.466 4.091 50 30 GIEARN N#Cc1nc(Cc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002407256 817387478 /nfs/dbraw/zinc/38/74/78/817387478.db2.gz IDWJLPJYDALRAM-UHFFFAOYSA-N 0 0 378.863 4.117 50 30 GIEARN Cc1cc(C)cc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 ZINC000002458408 817390345 /nfs/dbraw/zinc/39/03/45/817390345.db2.gz RZYWFILYMKUDJF-UHFFFAOYSA-N 0 0 393.512 4.456 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002487290 817391232 /nfs/dbraw/zinc/39/12/32/817391232.db2.gz FCOCIHLGGZYFBV-KBXCAEBGSA-N 0 0 398.528 4.362 50 30 GIEARN CCCOc1c(Br)cc(C(=O)Nc2sccc2C#N)cc1OC ZINC000002663126 817397616 /nfs/dbraw/zinc/39/76/16/817397616.db2.gz KRKHGEGFFMNWBZ-UHFFFAOYSA-N 0 0 395.278 4.432 50 30 GIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C(F)(F)F)nn3C)sc2C1 ZINC000002752141 817399302 /nfs/dbraw/zinc/39/93/02/817399302.db2.gz MJAGSMYSYRNSKR-SECBINFHSA-N 0 0 382.411 4.139 50 30 GIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)s2)c(C#N)c1C ZINC000002772352 817399803 /nfs/dbraw/zinc/39/98/03/817399803.db2.gz FQCKHBUCKKZSMS-UHFFFAOYSA-N 0 0 381.910 4.377 50 30 GIEARN CN(C=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O)OC(=O)Nc1ccccc1 ZINC000003118771 817418248 /nfs/dbraw/zinc/41/82/48/817418248.db2.gz LTMUMASGRCKMQV-UHFFFAOYSA-N 0 0 398.846 4.335 50 30 GIEARN CCOC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)=O ZINC000003170691 817419650 /nfs/dbraw/zinc/41/96/50/817419650.db2.gz ZYTAPFMXIOMEPK-DEDYPNTBSA-N 0 0 378.403 4.214 50 30 GIEARN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000003219140 817423489 /nfs/dbraw/zinc/42/34/89/817423489.db2.gz ZFYZNMBITRMYSX-UHFFFAOYSA-N 0 0 380.614 4.253 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(C(=O)C(C)(C)C)[C@H]1CCCCN21 ZINC000003338811 817438870 /nfs/dbraw/zinc/43/88/70/817438870.db2.gz GQPAZQIRBDLIEU-AUSIDOKSSA-N 0 0 376.504 4.221 50 30 GIEARN O=C1[C@@H](Cc2ccccc2)S/C(=N\N=C\c2ccco2)N1c1ccccc1 ZINC000004160003 817507384 /nfs/dbraw/zinc/50/73/84/817507384.db2.gz WWJBBAVZMXDREP-UXNDANJFSA-N 0 0 375.453 4.361 50 30 GIEARN COc1ccccc1NN=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004175355 817508100 /nfs/dbraw/zinc/50/81/00/817508100.db2.gz PTOSEDUVKAFDBG-PXLXIMEGSA-N 0 0 379.401 4.067 50 30 GIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)c1C#N ZINC000057380587 823285448 /nfs/dbraw/zinc/28/54/48/823285448.db2.gz YHOHIAYMVXVVOZ-HNNXBMFYSA-N 0 0 396.457 4.305 50 30 GIEARN C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCc1cnn(C)c1 ZINC000012242666 818148290 /nfs/dbraw/zinc/14/82/90/818148290.db2.gz ZLLKBYVLKCUQDV-UHFFFAOYSA-N 0 0 388.924 4.111 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000012552172 818166971 /nfs/dbraw/zinc/16/69/71/818166971.db2.gz UMKGQWKBZKOSOL-FQTAANOTSA-N 0 0 391.446 4.043 50 30 GIEARN CCOc1ccccc1C(=O)/C=C/c1c(C)nn2c1nccc2C(F)(F)F ZINC000012983585 818198940 /nfs/dbraw/zinc/19/89/40/818198940.db2.gz LRQAXYZOMYGEKF-CMDGGOBGSA-N 0 0 375.350 4.351 50 30 GIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccnc4ccccc43)C12 ZINC000018200907 818555658 /nfs/dbraw/zinc/55/56/58/818555658.db2.gz CKMKNQFZVCPGIX-YEJXKQKISA-N 0 0 399.479 4.304 50 30 GIEARN N#Cc1c(N)nc(SCc2ccc(Cl)nc2)c(C#N)c1-c1ccccc1 ZINC000019853104 818606656 /nfs/dbraw/zinc/60/66/56/818606656.db2.gz YJYDLXODROHMRG-UHFFFAOYSA-N 0 0 377.860 4.415 50 30 GIEARN CCOc1ccc(OCC)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000020012978 818609888 /nfs/dbraw/zinc/60/98/88/818609888.db2.gz IRCNKUXRSIWNQF-UHFFFAOYSA-N 0 0 379.416 4.300 50 30 GIEARN N#Cc1c(SCC(=O)c2ccccc2)nc(N2CCCC2)c2c1CCCC2 ZINC000020573770 818626017 /nfs/dbraw/zinc/62/60/17/818626017.db2.gz GPRBTZIDRAYOBY-UHFFFAOYSA-N 0 0 377.513 4.407 50 30 GIEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NC[C@@H]3CCCO3)c2CO1 ZINC000020590396 818626570 /nfs/dbraw/zinc/62/65/70/818626570.db2.gz ZIQQKKUPPBUXJO-INIZCTEOSA-N 0 0 378.476 4.139 50 30 GIEARN Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 ZINC000020790207 818631490 /nfs/dbraw/zinc/63/14/90/818631490.db2.gz DBWZHEHASUPYCA-UHFFFAOYSA-N 0 0 382.485 4.301 50 30 GIEARN CCOc1ccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021105406 818653645 /nfs/dbraw/zinc/65/36/45/818653645.db2.gz SVBMSXDDXNXHED-QFIPXVFZSA-N 0 0 384.439 4.317 50 30 GIEARN N#Cc1ccccc1-c1ccc(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 ZINC000022409870 818802544 /nfs/dbraw/zinc/80/25/44/818802544.db2.gz WRLCVRPMYGMSCT-RUZDIDTESA-N 0 0 393.446 4.119 50 30 GIEARN Cc1sc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C#N)c1C ZINC000029474138 820459936 /nfs/dbraw/zinc/45/99/36/820459936.db2.gz POAKKEPONBDJGE-UHFFFAOYSA-N 0 0 378.379 4.244 50 30 GIEARN COc1cccc(/C=C/C(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C)c1 ZINC000030782061 820682384 /nfs/dbraw/zinc/68/23/84/820682384.db2.gz XNXIXNDKHMJGRL-SOFGYWHQSA-N 0 0 387.361 4.499 50 30 GIEARN C#Cc1cccc(NC(=O)c2ccc(Cl)cc2I)c1 ZINC000031717067 820850230 /nfs/dbraw/zinc/85/02/30/820850230.db2.gz TWPDVSMIBJXUPR-UHFFFAOYSA-N 0 0 381.600 4.178 50 30 GIEARN C=CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000040122871 821143211 /nfs/dbraw/zinc/14/32/11/821143211.db2.gz QVLQUGDJYCKTIH-UHFFFAOYSA-N 0 0 382.445 4.210 50 30 GIEARN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000040151528 821150147 /nfs/dbraw/zinc/15/01/47/821150147.db2.gz YYBHHLQWHTVTCP-UHFFFAOYSA-N 0 0 376.481 4.358 50 30 GIEARN CSc1nc(N)n(/C(=N/C(Cl)=C(Cl)Cl)c2ccc(C)cc2)n1 ZINC000041097484 821169537 /nfs/dbraw/zinc/16/95/37/821169537.db2.gz JIGHWRGXYZJQEP-WOJGMQOQSA-N 0 0 376.700 4.029 50 30 GIEARN N#Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(I)c1 ZINC000048544555 822670988 /nfs/dbraw/zinc/67/09/88/822670988.db2.gz BSLAYMQYEFUNLW-UHFFFAOYSA-N 0 0 382.588 4.069 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC(F)F ZINC000050665981 822735772 /nfs/dbraw/zinc/73/57/72/822735772.db2.gz GVTAGZNAUFSYLA-DJWKRKHSSA-N 0 0 394.761 4.016 50 30 GIEARN N#CCCn1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc21 ZINC000007902563 230858525 /nfs/dbraw/zinc/85/85/25/230858525.db2.gz WVQSIIDKADDTMY-UHFFFAOYSA-N 0 0 391.500 4.334 50 30 GIEARN CCn1cc(/C=C2/Oc3cc(OC(=O)N(C)C)ccc3C2=O)c2ccccc21 ZINC000009423291 230872275 /nfs/dbraw/zinc/87/22/75/230872275.db2.gz UBXXDIBSZYVLSS-RGVLZGJSSA-N 0 0 376.412 4.338 50 30 GIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1c(F)cccc1Cl ZINC000009481944 230872353 /nfs/dbraw/zinc/87/23/53/230872353.db2.gz LQLFREPQTKSCRK-UHFFFAOYSA-N 0 0 399.878 4.315 50 30 GIEARN C=CCN(C(=O)CCc1cccc(OC)c1OC)c1nc2c(s1)CCCC2 ZINC000010219984 203774224 /nfs/dbraw/zinc/77/42/24/203774224.db2.gz VMMAGKBBPULHGB-UHFFFAOYSA-N 0 0 386.517 4.191 50 30 GIEARN C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCC3 ZINC000000680188 203777254 /nfs/dbraw/zinc/77/72/54/203777254.db2.gz ZTIHXGLBTVWQFY-UHFFFAOYSA-N 0 0 394.525 4.252 50 30 GIEARN C=C(C)Cn1nc(SCCC)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839395 203777449 /nfs/dbraw/zinc/77/74/49/203777449.db2.gz VAYYXMYWPNZNTI-UHFFFAOYSA-N 0 0 394.544 4.470 50 30 GIEARN C=CCOc1cccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000002087058 203778268 /nfs/dbraw/zinc/77/82/68/203778268.db2.gz KKOJOXQSQGVDJY-GOSISDBHSA-N 0 0 378.457 4.328 50 30 GIEARN C#CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC ZINC000002076188 203778835 /nfs/dbraw/zinc/77/88/35/203778835.db2.gz QBMITLPSANEANA-SFQUDFHCSA-N 0 0 381.815 4.095 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(C)=O)c1ccccc1-2 ZINC000002113542 203778977 /nfs/dbraw/zinc/77/89/77/203778977.db2.gz LAANKXXOGICTHM-SFHVURJKSA-N 0 0 396.497 4.322 50 30 GIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000002333736 203823731 /nfs/dbraw/zinc/82/37/31/203823731.db2.gz RVXSMCAHOPQBNE-ZDLGFXPLSA-N 0 0 377.308 4.023 50 30 GIEARN COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCC#N)ccc2c1=O ZINC000001915092 203823792 /nfs/dbraw/zinc/82/37/92/203823792.db2.gz QPWCZCDXTNZZOA-UHFFFAOYSA-N 0 0 375.302 4.390 50 30 GIEARN Cc1c(C#N)c(N)c(C(=O)c2ccc(Br)cc2)n1-c1ccccc1 ZINC000000711985 203849267 /nfs/dbraw/zinc/84/92/67/203849267.db2.gz WZMXHSXFFNIMFZ-UHFFFAOYSA-N 0 0 380.245 4.233 50 30 GIEARN COc1ccc(Br)cc1/C=N\c1ccc(N2CCOCC2)cc1 ZINC000000910404 203863362 /nfs/dbraw/zinc/86/33/62/203863362.db2.gz GMAWWAUUHPVOJW-MOSHPQCFSA-N 0 0 375.266 4.045 50 30 GIEARN CCOc1cccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)c1 ZINC000001471611 203912072 /nfs/dbraw/zinc/91/20/72/203912072.db2.gz LPEJECVDLDVRQG-UHFFFAOYSA-N 0 0 381.501 4.270 50 30 GIEARN FC(F)(F)c1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001475926 203912426 /nfs/dbraw/zinc/91/24/26/203912426.db2.gz NTPYMWXWDWRUCC-UFFVCSGVSA-N 0 0 378.379 4.047 50 30 GIEARN O=C(N/C=N/O)[C@H](c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000003133325 203987302 /nfs/dbraw/zinc/98/73/02/203987302.db2.gz BJYWPGFZBMPXBY-FQEVSTJZSA-N 0 0 392.842 4.237 50 30 GIEARN CCCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccc(C)c1 ZINC000003333001 203998512 /nfs/dbraw/zinc/99/85/12/203998512.db2.gz DOHOIBLXQCXZEW-UHFFFAOYSA-N 0 0 391.500 4.266 50 30 GIEARN N#Cc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000003399604 204003823 /nfs/dbraw/zinc/00/38/23/204003823.db2.gz WMQDNYHRIRNHGE-UHFFFAOYSA-N 0 0 388.402 4.000 50 30 GIEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1 ZINC000004116321 204027282 /nfs/dbraw/zinc/02/72/82/204027282.db2.gz RQSVSQADLPEUCB-PRPYNDMISA-N 0 0 390.483 4.480 50 30 GIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000004137598 204028362 /nfs/dbraw/zinc/02/83/62/204028362.db2.gz QPMKYLJSIBKXAD-ZBEGNZNMSA-N 0 0 399.491 4.364 50 30 GIEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000004385546 204043286 /nfs/dbraw/zinc/04/32/86/204043286.db2.gz KJRSDWVJNUQKFH-IVZQSRNASA-N 0 0 382.423 4.440 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000004699898 204065203 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O=C(/C(=C/c1cccc([N+](=O)[O-])c1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000004473850 204045789 /nfs/dbraw/zinc/04/57/89/204045789.db2.gz ZBNXEWZFINRQKZ-APSNUPSMSA-N 0 0 389.198 4.374 50 30 GIEARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436336 204045992 /nfs/dbraw/zinc/04/59/92/204045992.db2.gz VTZLRCVRHOIKFO-KRWDZBQOSA-N 0 0 384.505 4.057 50 30 GIEARN CC(=O)N(C1=C(N2CCCCCC2)C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000004535880 204050922 /nfs/dbraw/zinc/05/09/22/204050922.db2.gz GQUZQBBSQVIVNS-UHFFFAOYSA-N 0 0 394.515 4.334 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1cccc(OC)c1 ZINC000004918326 204091403 /nfs/dbraw/zinc/09/14/03/204091403.db2.gz SYFFGYBUWSTJFA-IFMALSPDSA-N 0 0 380.440 4.023 50 30 GIEARN O=C1[C@@H](Cc2ccccc2)S/C(=N/N=C/c2ccco2)N1c1ccccc1 ZINC000004579678 204054301 /nfs/dbraw/zinc/05/43/01/204054301.db2.gz WWJBBAVZMXDREP-IQRJPBLOSA-N 0 0 375.453 4.361 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004918416 204091419 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COc1ccccc1N1CCN(/N=C(\C)c2cccc(Br)c2)CC1 ZINC000005032482 204104774 /nfs/dbraw/zinc/10/47/74/204104774.db2.gz ZPQKTDFLUIBTOD-RCCKNPSSSA-N 0 0 388.309 4.004 50 30 GIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000005787893 204151403 /nfs/dbraw/zinc/15/14/03/204151403.db2.gz UIZJIBHFBFWRQL-MRXNPFEDSA-N 0 0 392.789 4.452 50 30 GIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000005787892 204152105 /nfs/dbraw/zinc/15/21/05/204152105.db2.gz UIZJIBHFBFWRQL-INIZCTEOSA-N 0 0 392.789 4.452 50 30 GIEARN Cc1nc(NCCc2ccccc2)sc1C(=O)OCc1ccc(C#N)cc1 ZINC000005938692 204158398 /nfs/dbraw/zinc/15/83/98/204158398.db2.gz QWLQKABRHOVIBX-UHFFFAOYSA-N 0 0 377.469 4.335 50 30 GIEARN N#CCC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000006084782 204163678 /nfs/dbraw/zinc/16/36/78/204163678.db2.gz JODDHJZOJQJVRR-UHFFFAOYSA-N 0 0 385.423 4.370 50 30 GIEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(Cl)c(OC)c(OC)c2)c1C ZINC000006085144 204164443 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COC(=O)N=C(Nc1cc(C)nn1-c1ccccc1)C(Cl)(Cl)Cl ZINC000005577724 204141084 /nfs/dbraw/zinc/14/10/84/204141084.db2.gz VRJGBODPGPCSLY-UHFFFAOYSA-N 0 0 375.643 4.128 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)cc1 ZINC000006819667 204212844 /nfs/dbraw/zinc/21/28/44/204212844.db2.gz MTHQRDOXHLYNJH-WMLDXEAASA-N 0 0 381.859 4.353 50 30 GIEARN CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(C#N)cc1 ZINC000006335436 204174364 /nfs/dbraw/zinc/17/43/64/204174364.db2.gz NSKCUANUPQUCCY-UHFFFAOYSA-N 0 0 380.835 4.312 50 30 GIEARN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000006432311 204178824 /nfs/dbraw/zinc/17/88/24/204178824.db2.gz IVMFTYRCJTYQTN-ONNFQVAWSA-N 0 0 384.284 4.140 50 30 GIEARN O=[N+]([O-])c1cc(Cl)cc(/C=N/C[C@@H](c2cccs2)[NH+]2CCCC2)c1[O-] ZINC000006507750 204180922 /nfs/dbraw/zinc/18/09/22/204180922.db2.gz OAXCQJHZMKRCNH-RPJLVFAOSA-N 0 0 379.869 4.271 50 30 GIEARN COc1cc(C=NNc2ccccc2Cl)c(Br)cc1OCC#N ZINC000006490527 204181167 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O=C1Nc2ccccc2/C1=C1/S/C(=N/c2ccc(Cl)cc2Cl)NC1=O ZINC000006927936 204224923 /nfs/dbraw/zinc/22/49/23/204224923.db2.gz DAUOTTBMESXLLM-YPKPFQOOSA-N 0 0 390.251 4.207 50 30 GIEARN N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(F)c2)sc2c1CCCCC2 ZINC000006928835 204224971 /nfs/dbraw/zinc/22/49/71/204224971.db2.gz TWRRRJIVAGMOCA-MDZDMXLPSA-N 0 0 398.459 4.223 50 30 GIEARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)COc1ccc(C#N)cc1 ZINC000006971170 204228051 /nfs/dbraw/zinc/22/80/51/204228051.db2.gz ZPTNRNRNKFJFAS-UHFFFAOYSA-N 0 0 388.452 4.260 50 30 GIEARN N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000007594162 204244218 /nfs/dbraw/zinc/24/42/18/204244218.db2.gz FJRFKIABMJIGGZ-UHFFFAOYSA-N 0 0 397.356 4.039 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007777437 204250002 /nfs/dbraw/zinc/25/00/02/204250002.db2.gz LVIIYJRGZQVTOX-LLVKDONJSA-N 0 0 385.395 4.366 50 30 GIEARN N#Cc1cccc(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)c1 ZINC000007778031 204250054 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GIEARN COc1cc(C#N)ccc1OCc1cc(=O)oc2cc(Br)ccc12 ZINC000009437989 204311182 /nfs/dbraw/zinc/31/11/82/204311182.db2.gz NAGFVDRZEHWDQU-UHFFFAOYSA-N 0 0 386.201 4.015 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000009110775 204299852 /nfs/dbraw/zinc/29/98/52/204299852.db2.gz CZCKFUYEVSYMMU-LJQANCHMSA-N 0 0 399.874 4.263 50 30 GIEARN CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)c2ccc(C#N)cc2)n1 ZINC000011057669 204341808 /nfs/dbraw/zinc/34/18/08/204341808.db2.gz WJISRUALMZFHHK-UHFFFAOYSA-N 0 0 380.404 4.032 50 30 GIEARN CCOC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1 ZINC000018244443 204620285 /nfs/dbraw/zinc/62/02/85/204620285.db2.gz HMYMMZYITKPIFN-JOCHJYFZSA-N 0 0 394.471 4.459 50 30 GIEARN CCOc1ccc(/C=C2\CN(C)C/C(=C/c3ccc(OCC)cc3)C2=O)cc1 ZINC000020115341 204703146 /nfs/dbraw/zinc/70/31/46/204703146.db2.gz WRNMLJCCOUUERQ-TVGQLCNQSA-N 0 0 377.484 4.466 50 30 GIEARN N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCN(c2ccccc2)CC1 ZINC000026580386 204846558 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CCOc1ccccc1Oc1ccc(CNC(=O)Nc2ccc(C#N)cc2)cn1 ZINC000047333739 205109987 /nfs/dbraw/zinc/10/99/87/205109987.db2.gz OJCDPXVYAMAGAM-UHFFFAOYSA-N 0 0 388.427 4.466 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1ccccn1)C3)C(=O)/C(=C\c1ccccc1)O2 ZINC000057165749 205155207 /nfs/dbraw/zinc/15/52/07/205155207.db2.gz LHVZSXBMTUYQCJ-SRZZPIQSSA-N 0 0 384.435 4.358 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1ccccn1)C3)C(=O)/C(=C\c1cccs1)O2 ZINC000057165885 205155430 /nfs/dbraw/zinc/15/54/30/205155430.db2.gz RRCRDIGLLQWRPE-VXLYETTFSA-N 0 0 390.464 4.420 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2ccc(N(C)C)cc2)n1 ZINC000060596299 205181675 /nfs/dbraw/zinc/18/16/75/205181675.db2.gz SDPGMYCRIZXLNV-UHFFFAOYSA-N 0 0 394.422 4.077 50 30 GIEARN N#Cc1c2c(sc1NC(=O)CCSc1nccc(C(F)(F)F)n1)CCC2 ZINC000068744487 205272608 /nfs/dbraw/zinc/27/26/08/205272608.db2.gz GVZRAMIYSGHBLU-UHFFFAOYSA-N 0 0 398.435 4.038 50 30 GIEARN COc1cc(/C=C2/S/C(=N/c3ccccc3C(F)(F)F)NC2=O)ccc1O ZINC000001297632 205707750 /nfs/dbraw/zinc/70/77/50/205707750.db2.gz 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N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)c2)cc1 ZINC000241965774 206128699 /nfs/dbraw/zinc/12/86/99/206128699.db2.gz UVOATTOLPFUJBS-UHFFFAOYSA-N 0 0 387.443 4.485 50 30 GIEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccncc3)C12 ZINC000007496052 220999766 /nfs/dbraw/zinc/99/97/66/220999766.db2.gz PFATZXYKDNSTTQ-QRQCRPRQSA-N 0 0 382.423 4.440 50 30 GIEARN COc1cc(C)ccc1C(=O)/C=C\c1c(C)nn2c1nccc2C(F)(F)F ZINC000096993409 533648673 /nfs/dbraw/zinc/64/86/73/533648673.db2.gz JLKPCSGEGNLDJW-SREVYHEPSA-N 0 0 375.350 4.270 50 30 GIEARN C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000019771409 518375901 /nfs/dbraw/zinc/37/59/01/518375901.db2.gz KVDVAWBLDPOQCG-LGUFXXKBSA-N 0 0 385.511 4.417 50 30 GIEARN C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c2cc1Cl ZINC000009306092 518611969 /nfs/dbraw/zinc/61/19/69/518611969.db2.gz MDYWGMIJHPYRIW-UHFFFAOYSA-N 0 0 398.846 4.286 50 30 GIEARN C=CCN(C(=O)CCCc1nc(C(C)(C)C)no1)c1nc2c(s1)CCCC2 ZINC000072278491 518730592 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C=CCOc1ccc(/C=C\C(=O)Nc2ccc(-c3csnn3)cc2)cc1OC ZINC000097220178 519016458 /nfs/dbraw/zinc/01/64/58/519016458.db2.gz AALBCZAMIKFPEA-WZUFQYTHSA-N 0 0 393.468 4.430 50 30 GIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@@H]2c2ccccc2)cc1 ZINC000016741476 519019368 /nfs/dbraw/zinc/01/93/68/519019368.db2.gz NQBBTTKQLYFSBC-HXUWFJFHSA-N 0 0 377.440 4.240 50 30 GIEARN CC(C)(C)c1ccc(C(=O)ONC(=N)c2cccc(Br)c2)cc1 ZINC000004832366 519023373 /nfs/dbraw/zinc/02/33/73/519023373.db2.gz JFCCWLQTBFAYJX-UHFFFAOYSA-N 0 0 375.266 4.224 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017243117 519080816 /nfs/dbraw/zinc/08/08/16/519080816.db2.gz VQTUIHAFJXFTBJ-INIZCTEOSA-N 0 0 397.500 4.243 50 30 GIEARN C=CC[C@@H]1N(C(=O)c2nn(CCCC)c(=O)c3ccccc32)CCCC1(C)C ZINC000225512226 519109124 /nfs/dbraw/zinc/10/91/24/519109124.db2.gz GKHBFMXCTILLEZ-IBGZPJMESA-N 0 0 381.520 4.404 50 30 GIEARN C=CCc1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O ZINC000019798904 519145727 /nfs/dbraw/zinc/14/57/27/519145727.db2.gz VIOHLEMFHICCBF-RGEXLXHISA-N 0 0 397.521 4.362 50 30 GIEARN C=CCn1c(=N)c2c(nc1SCC(=O)c1ccccc1)S[C@@H]1CCC[C@@H]21 ZINC000138298532 519152333 /nfs/dbraw/zinc/15/23/33/519152333.db2.gz ZIWQKINRDNGATQ-GDBMZVCRSA-N 0 0 383.542 4.265 50 30 GIEARN C=CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)sc1c2CCC1 ZINC000002679546 519157008 /nfs/dbraw/zinc/15/70/08/519157008.db2.gz FIANGWFESSSLRB-UHFFFAOYSA-N 0 0 382.510 4.108 50 30 GIEARN C=CCn1c(CN(C)Cc2ccc(C)o2)nnc1SCc1cccc(F)c1 ZINC000014994784 519179232 /nfs/dbraw/zinc/17/92/32/519179232.db2.gz NABWTYQJMJCLEJ-UHFFFAOYSA-N 0 0 386.496 4.429 50 30 GIEARN C=CCn1c(Cc2csc(NC(=O)CCC3CCCC3)n2)n[nH]c1=S ZINC000026091445 519193438 /nfs/dbraw/zinc/19/34/38/519193438.db2.gz PMOYEPMLMFNOJA-UHFFFAOYSA-N 0 0 377.539 4.083 50 30 GIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 ZINC000004285960 519210470 /nfs/dbraw/zinc/21/04/70/519210470.db2.gz ZIGJJOGUBTZOMJ-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2sc(C)cc2c1=O ZINC000000641575 519215974 /nfs/dbraw/zinc/21/59/74/519215974.db2.gz USFYPQARNLOAKL-UHFFFAOYSA-N 0 0 399.541 4.300 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccco1 ZINC000000813896 519217632 /nfs/dbraw/zinc/21/76/32/519217632.db2.gz RAPZNBHFQBJWGD-UHFFFAOYSA-N 0 0 388.880 4.417 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccccc1 ZINC000004285986 519217953 /nfs/dbraw/zinc/21/79/53/519217953.db2.gz TUOVADQILVUBPI-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(C)c1 ZINC000005478402 519220049 /nfs/dbraw/zinc/22/00/49/519220049.db2.gz NNSOUFVJOONDOR-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccc1F ZINC000007652627 519220205 /nfs/dbraw/zinc/22/02/05/519220205.db2.gz VXPVXROURNEGHA-UHFFFAOYSA-N 0 0 382.464 4.309 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccccc1 ZINC000003250862 519220844 /nfs/dbraw/zinc/22/08/44/519220844.db2.gz 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ZINC000101295879 520035482 /nfs/dbraw/zinc/03/54/82/520035482.db2.gz MRYNFQBOVLIVMR-GOSISDBHSA-N 0 0 394.515 4.378 50 30 GIEARN CCCCCCCNC(=O)[C@@H](C(=O)c1ccccc1)n1cc(Cl)ccc1=O ZINC000098048405 520054442 /nfs/dbraw/zinc/05/44/42/520054442.db2.gz OMTXZIMNUPACRU-LJQANCHMSA-N 0 0 388.895 4.012 50 30 GIEARN CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095707714 520429418 /nfs/dbraw/zinc/42/94/18/520429418.db2.gz ZESCSNXJAROIJS-UHFFFAOYSA-N 0 0 392.111 4.288 50 30 GIEARN CCCOc1ccc2ccccc2c1/C=N/n1c(C)nnc1-n1nc(C)cc1C ZINC000002822341 520436384 /nfs/dbraw/zinc/43/63/84/520436384.db2.gz JWUZFQWYBYNHLW-OEAKJJBVSA-N 0 0 388.475 4.213 50 30 GIEARN CCOC(=O)C1(CCOc2ccccc2)CCN(CC#Cc2ccccc2)CC1 ZINC000055133677 520458624 /nfs/dbraw/zinc/45/86/24/520458624.db2.gz JXEXVGDPLCUJIN-UHFFFAOYSA-N 0 0 391.511 4.153 50 30 GIEARN CCOC(=O)C1=C(Nc2cc(C)cc(C)c2)SC(=Cc2cccn2C)C1=O ZINC000036301468 520533178 /nfs/dbraw/zinc/53/31/78/520533178.db2.gz KYSZLZGHFMSMHP-SFQUDFHCSA-N 0 0 382.485 4.186 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036258476 520537754 /nfs/dbraw/zinc/53/77/54/520537754.db2.gz WPCSUIGEMDMEFO-LICLKQGHSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036258408 520538642 /nfs/dbraw/zinc/53/86/42/520538642.db2.gz LWVZXKOOEHXZMK-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCCCNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000100865928 520629343 /nfs/dbraw/zinc/62/93/43/520629343.db2.gz LZWJUSCKNNMNAA-MLSMKVKPSA-N 0 0 381.501 4.129 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000002069395 520700972 /nfs/dbraw/zinc/70/09/72/520700972.db2.gz FFPCMEOOCWFFSS-OAQYLSRUSA-N 0 0 399.487 4.102 50 30 GIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182417 520741074 /nfs/dbraw/zinc/74/10/74/520741074.db2.gz STFQTDWPPDEYKE-MTJSOVHGSA-N 0 0 376.456 4.342 50 30 GIEARN CCOc1cc2c(cc1/C=C1\S/C(=N\c3ccc(C)cc3C)NC1=O)OCO2 ZINC000033731632 520790112 /nfs/dbraw/zinc/79/01/12/520790112.db2.gz SKQSZSZKGYKLAB-OCKHKDLRSA-N 0 0 396.468 4.322 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000019867103 520827224 /nfs/dbraw/zinc/82/72/24/520827224.db2.gz YECVJGFDPDWYFK-NRFANRHFSA-N 0 0 379.481 4.459 50 30 GIEARN CCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000003018813 520919158 /nfs/dbraw/zinc/91/91/58/520919158.db2.gz UNQHKCUXHVFJLV-LJQANCHMSA-N 0 0 395.484 4.156 50 30 GIEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000057364365 520924317 /nfs/dbraw/zinc/92/43/17/520924317.db2.gz YEGMVVQALKDYCY-MRXNPFEDSA-N 0 0 396.516 4.255 50 30 GIEARN CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000019973809 520931440 /nfs/dbraw/zinc/93/14/40/520931440.db2.gz IDVFFMBMKMKCIO-UHFFFAOYSA-N 0 0 381.472 4.185 50 30 GIEARN CCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CCCC1=N2 ZINC000020091589 520979023 /nfs/dbraw/zinc/97/90/23/520979023.db2.gz OUXUGFPGWFGGCV-QGZVFWFLSA-N 0 0 399.476 4.101 50 30 GIEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O ZINC000009577251 521033870 /nfs/dbraw/zinc/03/38/70/521033870.db2.gz YLYLPGIEHDJBIT-FAPYRAKZSA-N 0 0 382.412 4.032 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1 ZINC000033776736 521091874 /nfs/dbraw/zinc/09/18/74/521091874.db2.gz QDEINCFRUMQRIC-IRLDBZIGSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@@]1(O)c1ccccc1 ZINC000013465998 521142610 /nfs/dbraw/zinc/14/26/10/521142610.db2.gz IFJQETUKALJECG-XSYGEPLQSA-N 0 0 387.888 4.087 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1c(OC)cccc1OC ZINC000328599960 521276603 /nfs/dbraw/zinc/27/66/03/521276603.db2.gz UZEKSPBKBCTXNU-IFXJQAMLSA-N 0 0 386.469 4.085 50 30 GIEARN CCOc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCCC2)C1=O ZINC000022625636 521447670 /nfs/dbraw/zinc/44/76/70/521447670.db2.gz ZZERDUKIXWTYOP-STZFKDTASA-N 0 0 379.456 4.393 50 30 GIEARN CCSc1nncn1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000036611473 521799335 /nfs/dbraw/zinc/79/93/35/521799335.db2.gz KWVQNMQVJVKZQO-DNTJNYDQSA-N 0 0 380.832 4.237 50 30 GIEARN COCCn1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C#N ZINC000003496609 522067336 /nfs/dbraw/zinc/06/73/36/522067336.db2.gz YEZZBZOPUAEGGV-MRXNPFEDSA-N 0 0 394.500 4.175 50 30 GIEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 ZINC000016742310 522178121 /nfs/dbraw/zinc/17/81/21/522178121.db2.gz DPIGKKRECUWTFH-YBFXNURJSA-N 0 0 391.335 4.258 50 30 GIEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(OCC(C)C)c(OC)c1)O2 ZINC000005047924 522180171 /nfs/dbraw/zinc/18/01/71/522180171.db2.gz FQTGLAHXUFXARQ-JMIUGGIZSA-N 0 0 382.412 4.133 50 30 biogenic,in-vitro GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccsc1 ZINC000019925553 522883249 /nfs/dbraw/zinc/88/32/49/522883249.db2.gz VEIIRROROXNMAY-UGSOOPFHSA-N 0 0 385.510 4.344 50 30 GIEARN COC(=O)C1=CNC2=C(C(=O)CCS2)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000025315192 522899957 /nfs/dbraw/zinc/89/99/57/522899957.db2.gz XIQUKMSWJGPPGO-LJQANCHMSA-N 0 0 377.465 4.015 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781563 523284794 /nfs/dbraw/zinc/28/47/94/523284794.db2.gz GSSPODMFMKGDIV-IBGZPJMESA-N 0 0 397.471 4.192 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)cc1 ZINC000016740614 523420728 /nfs/dbraw/zinc/42/07/28/523420728.db2.gz HHCMNMSLZNWTCC-RANIVTSPSA-N 0 0 379.456 4.249 50 30 GIEARN COc1ccc(C(=O)C(=CNc2ccccc2OC)C(=O)C(F)(F)F)cc1 ZINC000100862403 523536265 /nfs/dbraw/zinc/53/62/65/523536265.db2.gz SHUZEQFAWNJRBH-KAMYIIQDSA-N 0 0 379.334 4.014 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000020606226 523549047 /nfs/dbraw/zinc/54/90/47/523549047.db2.gz MISIIQDPFZXAMH-FQEVSTJZSA-N 0 0 395.430 4.355 50 30 GIEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccccc3O)cc2[N+](=O)[O-])cc1 ZINC000003089432 523774233 /nfs/dbraw/zinc/77/42/33/523774233.db2.gz NBDIOUJZDUEFRL-LPYMAVHISA-N 0 0 392.367 4.279 50 30 GIEARN COc1ccc(C2CC(=O)C(=CNc3cc(C)cc(C)c3)C(=O)C2)cc1OC ZINC000100669771 523882555 /nfs/dbraw/zinc/88/25/55/523882555.db2.gz DJAQECMJUAXVOK-UHFFFAOYSA-N 0 0 379.456 4.332 50 30 GIEARN COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1Cc1ccco1 ZINC000005988184 524804018 /nfs/dbraw/zinc/80/40/18/524804018.db2.gz TUHCPNCHLQVCSA-FQEVSTJZSA-N 0 0 389.407 4.067 50 30 GIEARN C[C@@H](NC(=O)CSc1nc2ccccc2n1CCC#N)c1ccc(F)cc1 ZINC000005903693 525124666 /nfs/dbraw/zinc/12/46/66/525124666.db2.gz FVDKXLLFCFEZDZ-CQSZACIVSA-N 0 0 382.464 4.059 50 30 GIEARN Cc1ccccc1CN1CCN(/C=C/C(=O)c2cccc(OC(F)F)c2)CC1 ZINC000020028619 525141576 /nfs/dbraw/zinc/14/15/76/525141576.db2.gz LQKCWXNGLPIMMS-MDZDMXLPSA-N 0 0 386.442 4.111 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)C[C@H](/C=C/c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000009190063 525227253 /nfs/dbraw/zinc/22/72/53/525227253.db2.gz KDQRDNBPQAAPFX-BFRJVHNNSA-N 0 0 398.466 4.248 50 30 GIEARN Cc1ccccc1NC(=O)COc1ccccc1C=C1C(=O)c2ccccc2C1=O ZINC000001134692 525241103 /nfs/dbraw/zinc/24/11/03/525241103.db2.gz CGCWDLGDPOIFGW-UHFFFAOYSA-N 0 0 397.430 4.475 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)cc1 ZINC000013127070 525399057 /nfs/dbraw/zinc/39/90/57/525399057.db2.gz UQYVXKHOXAEXQJ-ZHRRBRCNSA-N 0 0 386.455 4.011 50 30 GIEARN Cc1ccc(-c2nc3cc(/N=C/c4ccccc4OCC(N)=O)ccc3o2)cc1 ZINC000100384157 525822625 /nfs/dbraw/zinc/82/26/25/525822625.db2.gz DTCZIQYONOHXGH-DHRITJCHSA-N 0 0 385.423 4.418 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000102925423 525944581 /nfs/dbraw/zinc/94/45/81/525944581.db2.gz MVRKFYDKCQYBSF-HOGKFDNTSA-N 0 0 398.462 4.320 50 30 GIEARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022133001 526008117 /nfs/dbraw/zinc/00/81/17/526008117.db2.gz LMVGBEZTGLFGQT-RNEAKCBISA-N 0 0 394.500 4.426 50 30 GIEARN C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCCC1 ZINC000006326876 526008776 /nfs/dbraw/zinc/00/87/76/526008776.db2.gz NNRPXRWXTLSZEJ-GFCCVEGCSA-N 0 0 390.896 4.213 50 30 GIEARN Cc1ccc(C(=O)/C(=N\Nc2ccccc2)c2nc3ccccc3oc2=O)cc1 ZINC000013749575 526012955 /nfs/dbraw/zinc/01/29/55/526012955.db2.gz LHKYJJMSRJZZGO-QOMWVZHYSA-N 0 0 383.407 4.196 50 30 GIEARN Cc1ccc2c(c1)/C(=C1/S/C(=N/c3ccc(C)c(Cl)c3)NC1=O)C(=O)N2 ZINC000018128405 526136711 /nfs/dbraw/zinc/13/67/11/526136711.db2.gz DVSRTEAEVPVWTJ-NXVVXOECSA-N 0 0 383.860 4.171 50 30 GIEARN Oc1ccccc1/C=N/CCN(CC/N=C\c1ccccc1O)c1ccccc1 ZINC000017354238 526369903 /nfs/dbraw/zinc/36/99/03/526369903.db2.gz KRFPKOOMJXCUCZ-BCRMPINCSA-N 0 0 387.483 4.142 50 30 GIEARN N#CCCN(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003219483 526449508 /nfs/dbraw/zinc/44/95/08/526449508.db2.gz PFLJUJXDRLYROW-UHFFFAOYSA-N 0 0 398.462 4.386 50 30 GIEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000019891921 526459759 /nfs/dbraw/zinc/45/97/59/526459759.db2.gz DMZOGIZAGOYDRT-UHFFFAOYSA-N 0 0 394.327 4.460 50 30 GIEARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000013551807 526676156 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O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1cccc(F)c1 ZINC000013569997 527124259 /nfs/dbraw/zinc/12/42/59/527124259.db2.gz POKBENUGODIYAF-NDENLUEZSA-N 0 0 396.395 4.210 50 30 GIEARN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(F)(F)F ZINC000095671144 527260498 /nfs/dbraw/zinc/26/04/98/527260498.db2.gz DODLENXBAALXTM-UHFFFAOYSA-N 0 0 392.223 4.169 50 30 GIEARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCCOc1ccc(C#N)cc1 ZINC000010166001 527528065 /nfs/dbraw/zinc/52/80/65/527528065.db2.gz UGEDKRQOWKLFLU-UHFFFAOYSA-N 0 0 399.809 4.081 50 30 GIEARN OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095681787 527533709 /nfs/dbraw/zinc/53/37/09/527533709.db2.gz HMGDEQANNRNNKX-UHFFFAOYSA-N 0 0 378.128 4.498 50 30 GIEARN C/C(=N/NC(=S)Nc1ccccc1)c1cc(Br)c([N+](=O)[O-])s1 ZINC000072433959 527537710 /nfs/dbraw/zinc/53/77/10/527537710.db2.gz RNRXFNAFRCAHQI-PXNMLYILSA-N 0 0 399.295 4.129 50 30 GIEARN Cc1nn(C)c(C)c1[C@@H](C)C(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741185 527658801 /nfs/dbraw/zinc/65/88/01/527658801.db2.gz YQDXQABCJVFSIE-PRHODGIISA-N 0 0 384.789 4.084 50 30 GIEARN FC(F)(Cl)[C@@](F)(Cl)C(F)(F)C(F)(F)I ZINC000071766863 527661955 /nfs/dbraw/zinc/66/19/55/527661955.db2.gz YRAAQTPTEGTGOK-PVQJCKRUSA-N 0 0 378.840 4.386 50 30 GIEARN CCOC(=O)c1c(C)[nH]c(C)c1C1=NN/C(=N\c2cccc(Cl)c2)SC1 ZINC000013102605 528123881 /nfs/dbraw/zinc/12/38/81/528123881.db2.gz NWRAQHXNGNPLBA-UHFFFAOYSA-N 0 0 390.896 4.190 50 30 GIEARN CCOc1ccc(NN=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000004175365 528481471 /nfs/dbraw/zinc/48/14/71/528481471.db2.gz FUXJWKPCAZHXMB-LFVJCYFKSA-N 0 0 392.440 4.277 50 30 GIEARN O=C(N=C(NCc1ccccn1)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000046126313 570209988 /nfs/dbraw/zinc/20/99/88/570209988.db2.gz KFUNROJIMPEDAY-UHFFFAOYSA-N 0 0 382.826 4.272 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCc1cccnc1 ZINC000046127137 570210176 /nfs/dbraw/zinc/21/01/76/570210176.db2.gz QNXGSIDKRVNQQE-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN CC(C)c1cccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)c1 ZINC000046133216 570213466 /nfs/dbraw/zinc/21/34/66/570213466.db2.gz OPHIRIUSJVJCRA-FQEVSTJZSA-N 0 0 383.467 4.326 50 30 GIEARN CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000000726668 570221167 /nfs/dbraw/zinc/22/11/67/570221167.db2.gz ZUGLRQJHYHGHAP-OAQYLSRUSA-N 0 0 399.487 4.013 50 30 GIEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccccc2OC)s1 ZINC000008738142 570224082 /nfs/dbraw/zinc/22/40/82/570224082.db2.gz DKNFNKGDGMGXBF-UHFFFAOYSA-N 0 0 396.472 4.498 50 30 GIEARN CCN(C(=O)C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1)c1ccccc1C ZINC000048287801 570227873 /nfs/dbraw/zinc/22/78/73/570227873.db2.gz JZSRYWRULFKXJB-UHFFFAOYSA-N 0 0 392.459 4.044 50 30 GIEARN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CCC2 ZINC000000951806 570231303 /nfs/dbraw/zinc/23/13/03/570231303.db2.gz BWEWLXHSVUFZKK-UHFFFAOYSA-N 0 0 375.446 4.067 50 30 GIEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000012199960 570235460 /nfs/dbraw/zinc/23/54/60/570235460.db2.gz SIDGAJFIGVLORD-PMACEKPBSA-N 0 0 380.467 4.147 50 30 GIEARN C=CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000012407168 570236673 /nfs/dbraw/zinc/23/66/73/570236673.db2.gz FIZZKFYTGFEEBB-UHFFFAOYSA-N 0 0 385.807 4.216 50 30 GIEARN C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000012342709 570237089 /nfs/dbraw/zinc/23/70/89/570237089.db2.gz JHGAUNUBBNXBKB-LFIBNONCSA-N 0 0 387.222 4.103 50 30 GIEARN CCCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366998 570238797 /nfs/dbraw/zinc/23/87/97/570238797.db2.gz SHIASKFIZDLYCS-UAQCVPFCSA-N 0 0 385.489 4.313 50 30 GIEARN C=CCOc1ccc(CN(C)C(=O)COc2ccc(CC=C)cc2OC)cc1 ZINC000013023166 570240183 /nfs/dbraw/zinc/24/01/83/570240183.db2.gz IUCUXXNETFPCCJ-UHFFFAOYSA-N 0 0 381.472 4.026 50 30 GIEARN C=CCn1c(CC)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000004818951 570240939 /nfs/dbraw/zinc/24/09/39/570240939.db2.gz KMJYWBYTGCVRMX-UHFFFAOYSA-N 0 0 381.439 4.032 50 30 GIEARN O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccc(Br)cc1 ZINC000001090763 570241666 /nfs/dbraw/zinc/24/16/66/570241666.db2.gz RUKLOBYASUCINF-PYCFMQQDSA-N 0 0 381.229 4.454 50 30 GIEARN C=CCOc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3)C3=C2C(=O)OC3)cc1 ZINC000035143154 570241826 /nfs/dbraw/zinc/24/18/26/570241826.db2.gz KITNFDVXKZNNBE-GOSISDBHSA-N 0 0 395.842 4.236 50 30 GIEARN C=CCOc1ccc(-c2nn3c(nnc3-c3ccc(N(C)C)cc3)s2)cc1 ZINC000013956994 570242891 /nfs/dbraw/zinc/24/28/91/570242891.db2.gz IMWVULRLJYIQFW-UHFFFAOYSA-N 0 0 377.473 4.151 50 30 GIEARN C=CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 ZINC000014723965 570245528 /nfs/dbraw/zinc/24/55/28/570245528.db2.gz AHEZNPNYTLRNSY-UHFFFAOYSA-N 0 0 378.453 4.414 50 30 GIEARN C#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1 ZINC000015076869 570246871 /nfs/dbraw/zinc/24/68/71/570246871.db2.gz RQZBPFBGWDRCKZ-OAQYLSRUSA-N 0 0 375.468 4.190 50 30 GIEARN COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000001137901 570247324 /nfs/dbraw/zinc/24/73/24/570247324.db2.gz QONWIGVXBDJUHW-HZHRSRAPSA-N 0 0 396.512 4.458 50 30 GIEARN C=C(C)CSc1nn(CC)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839457 570248809 /nfs/dbraw/zinc/24/88/09/570248809.db2.gz YRUWBBUEYAPHDV-QFIPXVFZSA-N 0 0 394.544 4.470 50 30 GIEARN C=CCc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(CC)CC ZINC000001044695 570251369 /nfs/dbraw/zinc/25/13/69/570251369.db2.gz ZYZWEVBQLRZCCH-UHFFFAOYSA-N 0 0 379.526 4.061 50 30 GIEARN CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)cc1)/C(=N/O)CC(C)(C)C2 ZINC000001201314 570257608 /nfs/dbraw/zinc/25/76/08/570257608.db2.gz NPZDIUOZGOJUKD-JJIBRWJFSA-N 0 0 382.460 4.393 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1Cl ZINC000025695123 570271053 /nfs/dbraw/zinc/27/10/53/570271053.db2.gz UXDAKVIHQFKNHR-KRWDZBQOSA-N 0 0 389.879 4.126 50 30 GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1OC(F)(F)F ZINC000012870585 570272782 /nfs/dbraw/zinc/27/27/82/570272782.db2.gz JPFUVVNNANXTHK-UHFFFAOYSA-N 0 0 389.333 4.079 50 30 GIEARN CCc1ccccc1/N=C1/NC(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)S1 ZINC000006147554 570276929 /nfs/dbraw/zinc/27/69/29/570276929.db2.gz TVJTVFZDVHLQDR-PDGQHHTCSA-N 0 0 398.484 4.166 50 30 GIEARN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3 ZINC000020827136 570284030 /nfs/dbraw/zinc/28/40/30/570284030.db2.gz JEIQAZJGTJKLNZ-UHFFFAOYSA-N 0 0 383.542 4.103 50 30 GIEARN Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CC3)n2)cc1 ZINC000000663395 570287261 /nfs/dbraw/zinc/28/72/61/570287261.db2.gz HLEFDRDXHXBSFS-UHFFFAOYSA-N 0 0 391.418 4.318 50 30 GIEARN Cc1oc(-c2ccccc2)nc1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000024986095 570304076 /nfs/dbraw/zinc/30/40/76/570304076.db2.gz GCXVCESIDMUGAG-UHFFFAOYSA-N 0 0 398.384 4.379 50 30 GIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000012323432 570314367 /nfs/dbraw/zinc/31/43/67/570314367.db2.gz QJBGDNJKUXOVFT-KPZWWZAWSA-N 0 0 394.456 4.119 50 30 GIEARN O=[N+]([O-])c1ccccc1/C=N\[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1[N+](=O)[O-] ZINC000100173223 570321050 /nfs/dbraw/zinc/32/10/50/570321050.db2.gz QKHJFYNPGVPCLF-AXQOLIKFSA-N 0 0 380.404 4.352 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc(Oc2ccccc2)c1 ZINC000007734864 570341071 /nfs/dbraw/zinc/34/10/71/570341071.db2.gz XKCBSXVPGVVHOH-MDRMPYQZSA-N 0 0 392.455 4.090 50 30 GIEARN N#Cc1ccc(N2CCC(C(=O)NC(c3ccccc3)c3ccccc3)CC2)nc1 ZINC000023995151 570341371 /nfs/dbraw/zinc/34/13/71/570341371.db2.gz GRWVEWZPHAXUPM-UHFFFAOYSA-N 0 0 396.494 4.075 50 30 GIEARN CC(C)(C)C(=O)[C@H]1[C@H](c2cccnc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366027 570344276 /nfs/dbraw/zinc/34/42/76/570344276.db2.gz CMJHQLKXVHAZNX-HBMCJLEFSA-N 0 0 382.467 4.224 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cccc(Br)c1 ZINC000012347512 570365248 /nfs/dbraw/zinc/36/52/48/570365248.db2.gz QIXWUJBLDUQVEI-CYBMUJFWSA-N 0 0 388.265 4.078 50 30 GIEARN C[C@@H](OS(=O)(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 ZINC000004301693 570366457 /nfs/dbraw/zinc/36/64/57/570366457.db2.gz NHGPSMHUGUACBF-SSDOTTSWSA-N 0 0 377.274 4.398 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000012970084 570374504 /nfs/dbraw/zinc/37/45/04/570374504.db2.gz XMYCVURDSVPWAD-OAQYLSRUSA-N 0 0 385.419 4.478 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)c1 ZINC000022902168 570379081 /nfs/dbraw/zinc/37/90/81/570379081.db2.gz XZGOZPBAWUAGAP-UHFFFAOYSA-N 0 0 385.419 4.134 50 30 GIEARN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000004530232 570382058 /nfs/dbraw/zinc/38/20/58/570382058.db2.gz QFJNDUTXUFJDLR-PTGBLXJZSA-N 0 0 394.496 4.277 50 30 GIEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OC ZINC000002844679 570390758 /nfs/dbraw/zinc/39/07/58/570390758.db2.gz XSLZZIPOACMMBO-YBEGLDIGSA-N 0 0 387.794 4.397 50 30 GIEARN C=C(Cl)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 ZINC000006365307 570401639 /nfs/dbraw/zinc/40/16/39/570401639.db2.gz ZIJYDVGSZYYZGB-UHFFFAOYSA-N 0 0 386.860 4.017 50 30 GIEARN N#CCCn1cc(C2=NN/C(=N\c3ccccc3F)SC2)c2ccccc21 ZINC000024988254 570402065 /nfs/dbraw/zinc/40/20/65/570402065.db2.gz ZBRNUGHCUUHCRZ-UHFFFAOYSA-N 0 0 377.448 4.422 50 30 GIEARN C[C@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025326843 570411095 /nfs/dbraw/zinc/41/10/95/570411095.db2.gz QSKSMRTWUDKMPO-KXBFYZLASA-N 0 0 389.952 4.500 50 30 GIEARN CCCCCCCn1c2ccccc2n(C[C@@H](O)COc2ccccc2)c1=N ZINC000100616735 570414144 /nfs/dbraw/zinc/41/41/44/570414144.db2.gz GKHLNXLRARFWTC-LJQANCHMSA-N 0 0 381.520 4.333 50 30 GIEARN Clc1ccccc1CN1CCN(N=Cc2cccc(Br)c2)CC1 ZINC000238950841 570427767 /nfs/dbraw/zinc/42/77/67/570427767.db2.gz ZXHYQEINBUZJTD-UHFFFAOYSA-N 0 0 392.728 4.254 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000245238942 570434607 /nfs/dbraw/zinc/43/46/07/570434607.db2.gz CSBUEGHWYWGGEI-KVTROMQXSA-N 0 0 380.532 4.306 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(OCC)cc1 ZINC000011914089 570447310 /nfs/dbraw/zinc/44/73/10/570447310.db2.gz JFCFSTMFSVFXQJ-QFIPXVFZSA-N 0 0 389.455 4.221 50 30 GIEARN COc1cc(-c2ccccc2)sc1C(=O)N1CCc2c(C#N)c(N)sc2C1 ZINC000089429374 570452852 /nfs/dbraw/zinc/45/28/52/570452852.db2.gz PTTMOEHFDOGSIC-UHFFFAOYSA-N 0 0 395.509 4.138 50 30 GIEARN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000225495538 570456784 /nfs/dbraw/zinc/45/67/84/570456784.db2.gz AAASQGZXSCFKMN-QFBILLFUSA-N 0 0 388.558 4.455 50 30 GIEARN C=CCC1(OC)CCN(C(=O)c2ccc3nc(-c4ccccc4)cn3c2)CC1 ZINC000082121031 570459593 /nfs/dbraw/zinc/45/95/93/570459593.db2.gz XBZIZNQTTLBJOA-UHFFFAOYSA-N 0 0 375.472 4.199 50 30 GIEARN CCN(CC)c1ccc(C=NN=Cc2ccc(N(CC)CC)cc2O)c(O)c1 ZINC000252460287 570474166 /nfs/dbraw/zinc/47/41/66/570474166.db2.gz DCNINSVDHJVQPU-UHFFFAOYSA-N 0 0 382.508 4.243 50 30 GIEARN C=CCn1c2ncn(Cc3cccc(C(F)(F)F)c3)c(=O)c2sc1=S ZINC000006589156 570485541 /nfs/dbraw/zinc/48/55/41/570485541.db2.gz SBPUJSRQTHQGEE-UHFFFAOYSA-N 0 0 383.420 4.242 50 30 GIEARN COc1cc(C=NN=c2[nH]c3ccccc3s2)c(Br)cc1O ZINC000030742923 570494296 /nfs/dbraw/zinc/49/42/96/570494296.db2.gz YXUPNKKVBBGSEK-IUXPMGMMSA-N 0 0 378.251 4.219 50 30 GIEARN COc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)cc1 ZINC000003087197 570502727 /nfs/dbraw/zinc/50/27/27/570502727.db2.gz SVRLJHLNMVXMQW-FRKBGCJLSA-N 0 0 383.498 4.299 50 30 GIEARN COCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccccc1 ZINC000002789026 570514470 /nfs/dbraw/zinc/51/44/70/570514470.db2.gz ZSVSAXZGJHENKB-QFGKFHJGSA-N 0 0 377.469 4.418 50 30 GIEARN CCOc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005245211 570526542 /nfs/dbraw/zinc/52/65/42/570526542.db2.gz YNXISBGXFBSCMX-KSFYIVLOSA-N 0 0 386.455 4.093 50 30 GIEARN N#Cc1cc(F)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000177581608 570528239 /nfs/dbraw/zinc/52/82/39/570528239.db2.gz PIFYZRQWPKREAV-UHFFFAOYSA-N 0 0 375.190 4.442 50 30 GIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005254531 570530022 /nfs/dbraw/zinc/53/00/22/570530022.db2.gz HPLPLMVIXOONIX-TZQXVGBESA-N 0 0 390.794 4.426 50 30 GIEARN COC(=O)N1CCc2c(C#N)c(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000005255575 570530406 /nfs/dbraw/zinc/53/04/06/570530406.db2.gz APJVEYPPEBTXBA-UHFFFAOYSA-N 0 0 391.452 4.150 50 30 GIEARN CCc1ccccc1NC(=O)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000003068172 570534011 /nfs/dbraw/zinc/53/40/11/570534011.db2.gz JVAINVDIOUPPNZ-CYBMUJFWSA-N 0 0 395.221 4.382 50 30 GIEARN CCOc1cc(/C=C2/S/C(=N\C)N(/N=C/c3ccc(C)cc3)C2=O)ccc1O ZINC000035167485 570550389 /nfs/dbraw/zinc/55/03/89/570550389.db2.gz NGHUQEMXIXJPDD-HAIYDCQQSA-N 0 0 395.484 4.036 50 30 GIEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c(C)[nH]c3ccc(F)cc31)=C2 ZINC000062001336 570555421 /nfs/dbraw/zinc/55/54/21/570555421.db2.gz KXDLFVHDFRTDKT-UHFFFAOYSA-N 0 0 394.446 4.344 50 30 GIEARN C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC1CCCCC1 ZINC000009483206 570559082 /nfs/dbraw/zinc/55/90/82/570559082.db2.gz LUCXIBWBQGMSQW-MRXNPFEDSA-N 0 0 395.547 4.399 50 30 GIEARN COc1ccc(C(=O)C2=CN(c3ccccc3)c3ccccc3S2(=O)=O)cc1 ZINC000032984180 570572557 /nfs/dbraw/zinc/57/25/57/570572557.db2.gz PKQDIPIBCHVVCF-UHFFFAOYSA-N 0 0 391.448 4.345 50 30 GIEARN N#Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1Cl ZINC000003350957 570606285 /nfs/dbraw/zinc/60/62/85/570606285.db2.gz JYTIQSYVJIJROK-UHFFFAOYSA-N 0 0 390.826 4.460 50 30 GIEARN C=CCSc1nnc(NC(=O)c2nc(SCCC)ncc2Cl)s1 ZINC000006810533 570614517 /nfs/dbraw/zinc/61/45/17/570614517.db2.gz GSSABYBTSXSPHV-UHFFFAOYSA-N 0 0 387.943 4.014 50 30 GIEARN N#Cc1c2c(sc1NC(=O)c1cnn3c1nccc3-c1ccco1)CCCC2 ZINC000013644599 570663448 /nfs/dbraw/zinc/66/34/48/570663448.db2.gz QJSDVVGUCQZEGJ-UHFFFAOYSA-N 0 0 389.440 4.054 50 30 GIEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000013646847 570664744 /nfs/dbraw/zinc/66/47/44/570664744.db2.gz OQIYBZJUGJOBOL-ZDLGFXPLSA-N 0 0 397.477 4.386 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)CN(Cc1ccc(F)cc1)CO3 ZINC000013690183 570668690 /nfs/dbraw/zinc/66/86/90/570668690.db2.gz MQGAZQUJCHNRNA-FBHDLOMBSA-N 0 0 388.398 4.189 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(OCC)cc2)nnc1-c1ccncc1 ZINC000006908764 570698744 /nfs/dbraw/zinc/69/87/44/570698744.db2.gz FRNIHQDERVNRLU-HNNXBMFYSA-N 0 0 394.500 4.288 50 30 GIEARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000017842945 570716464 /nfs/dbraw/zinc/71/64/64/570716464.db2.gz MSDAIQPJHKCNCK-UHFFFAOYSA-N 0 0 393.874 4.224 50 30 GIEARN C=CCC(=O)N1CCC(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1 ZINC000015064963 570723337 /nfs/dbraw/zinc/72/33/37/570723337.db2.gz GBTBPLJDAKQROK-UHFFFAOYSA-N 0 0 389.455 4.248 50 30 GIEARN Cc1nc(-c2ccc(OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)cc2)no1 ZINC000058358263 570728875 /nfs/dbraw/zinc/72/88/75/570728875.db2.gz LLGNRFBJAFCCPR-BKUYFWCQSA-N 0 0 389.455 4.304 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4ccccc4Cl)nn3[C@@H](c3cccc(O)c3)C12 ZINC000000944332 570734186 /nfs/dbraw/zinc/73/41/86/570734186.db2.gz GGEJGLLYYKSFJO-IBGZPJMESA-N 0 0 392.846 4.326 50 30 GIEARN N#Cc1ccc(NC(=O)COc2ccc(Oc3ccccn3)cc2)cc1Cl ZINC000022989834 570744089 /nfs/dbraw/zinc/74/40/89/570744089.db2.gz ZODNLSJRNCMKIE-UHFFFAOYSA-N 0 0 379.803 4.416 50 30 GIEARN N#Cc1cnn(-c2cc(Oc3ccc(Cl)cc3)nc(-c3ccccc3)n2)c1N ZINC000001017662 570745815 /nfs/dbraw/zinc/74/58/15/570745815.db2.gz GZIBWFUZUVTDTC-UHFFFAOYSA-N 0 0 388.818 4.229 50 30 GIEARN N#Cc1ccccc1NC(=O)c1cc(I)ccc1Cl ZINC000001158455 570757707 /nfs/dbraw/zinc/75/77/07/570757707.db2.gz WEIZGNIJIHHOMU-UHFFFAOYSA-N 0 0 382.588 4.069 50 30 GIEARN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000001150958 570757753 /nfs/dbraw/zinc/75/77/53/570757753.db2.gz DWFQXWQVCCPIMY-NDENLUEZSA-N 0 0 390.439 4.498 50 30 GIEARN CC(=O)O[C@@H]1CC[C@H]2C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@@H]1CC3 ZINC000257350045 570785430 /nfs/dbraw/zinc/78/54/30/570785430.db2.gz UHDRFSPZQJHGCE-LHRLTIKZSA-N 0 0 388.504 4.136 50 30 GIEARN CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]21C ZINC000257358358 570786076 /nfs/dbraw/zinc/78/60/76/570786076.db2.gz SZOCJNYVWVFBFU-HJCADZPFSA-N 0 0 382.500 4.209 50 30 GIEARN COc1ccccc1[C@@H]1c2c(=O)[nH][nH]c2NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018196480 570808468 /nfs/dbraw/zinc/80/84/68/570808468.db2.gz ZTVUDIZWPSLBOR-GTNSWQLSSA-N 0 0 393.468 4.144 50 30 GIEARN COCCCN1C(=O)CS/C1=N\c1cc2oc3ccccc3c2cc1OC ZINC000013960884 570808786 /nfs/dbraw/zinc/80/87/86/570808786.db2.gz NODSJGBOSARWTA-MRCUWXFGSA-N 0 0 384.457 4.194 50 30 GIEARN COc1cccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)c1OC ZINC000018197175 570808864 /nfs/dbraw/zinc/80/88/64/570808864.db2.gz PUMZSZFDXLNUKR-NRFANRHFSA-N 0 0 395.455 4.286 50 30 GIEARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 ZINC000018200753 570809023 /nfs/dbraw/zinc/80/90/23/570809023.db2.gz ZDWVAQCQTQSDRO-FQEVSTJZSA-N 0 0 395.455 4.286 50 30 GIEARN CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccnc3)C2)cc1 ZINC000018222367 570811847 /nfs/dbraw/zinc/81/18/47/570811847.db2.gz GKRSXUWRKQNIDF-AVRDEDQJSA-N 0 0 385.471 4.212 50 30 GIEARN N#C[C@H](CN1CCN(c2ccccc2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526612 570831311 /nfs/dbraw/zinc/83/13/11/570831311.db2.gz 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ZINC000013882248 570902474 /nfs/dbraw/zinc/90/24/74/570902474.db2.gz WMSCOGBECUAFKO-UHFFFAOYSA-N 0 0 397.887 4.297 50 30 GIEARN COc1ccc(N2CCN(c3oc(-c4ccc(Cl)cc4)nc3C#N)CC2)cc1 ZINC000016741553 570908698 /nfs/dbraw/zinc/90/86/98/570908698.db2.gz DZCFLEJRORVVED-UHFFFAOYSA-N 0 0 394.862 4.202 50 30 GIEARN Cc1ccc2nc(NCc3ccccc3)c(/C=N/Cc3ccccc3)c(=O)n2c1 ZINC000015986669 570909823 /nfs/dbraw/zinc/90/98/23/570909823.db2.gz BQBPLVHLUDVKBR-PCLIKHOPSA-N 0 0 382.467 4.234 50 30 GIEARN CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccncc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 ZINC000016012893 570911223 /nfs/dbraw/zinc/91/12/23/570911223.db2.gz YOCZJRFTEUKZJH-HBMCJLEFSA-N 0 0 382.467 4.098 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccncc1)CN(CCc1cccs1)CO3 ZINC000023127137 570912150 /nfs/dbraw/zinc/91/21/50/570912150.db2.gz KJXOYUKLCJDWIG-NDENLUEZSA-N 0 0 390.464 4.154 50 30 GIEARN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(-c3ccc(C)cc3)nn21 ZINC000032912772 570917999 /nfs/dbraw/zinc/91/79/99/570917999.db2.gz 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C=CCN(CC=C)C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1 ZINC000012612644 818171145 /nfs/dbraw/zinc/17/11/45/818171145.db2.gz FUYMWNHCZHHQCQ-UHFFFAOYSA-N 0 0 392.455 4.250 50 30 GIEARN N#Cc1ccc(CN2CCN(C(=O)/C=C/c3csc4ccccc34)CC2)cc1 ZINC000012756222 818181129 /nfs/dbraw/zinc/18/11/29/818181129.db2.gz LHJDUQQPBXTJHQ-MDZDMXLPSA-N 0 0 387.508 4.131 50 30 GIEARN CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccccc2)n1 ZINC000019820776 818605756 /nfs/dbraw/zinc/60/57/56/818605756.db2.gz DJOSQFMYMQFNTP-UHFFFAOYSA-N 0 0 376.441 4.078 50 30 GIEARN N#Cc1c(N)nc(SCC(=O)c2ccc(F)cc2)c(C#N)c1-c1cccs1 ZINC000019852289 818606902 /nfs/dbraw/zinc/60/69/02/818606902.db2.gz MIXBEEOUMYJZBN-UHFFFAOYSA-N 0 0 394.456 4.250 50 30 GIEARN COc1ccc(/C=C2/CN(C(C)C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000020115297 818614006 /nfs/dbraw/zinc/61/40/06/818614006.db2.gz KBLAWEKNXODCJI-NMGXZBPKSA-N 0 0 377.484 4.464 50 30 GIEARN CCOC(=O)c1cc(C#N)c(NCc2ccccc2OC)nc1-c1ccccc1 ZINC000020365489 818619143 /nfs/dbraw/zinc/61/91/43/818619143.db2.gz 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519223421 /nfs/dbraw/zinc/22/34/21/519223421.db2.gz BFTBQLLOZNZYIF-UHFFFAOYSA-N 0 0 399.541 4.246 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2OC)nnc1-c1ccccc1 ZINC000003522131 519231349 /nfs/dbraw/zinc/23/13/49/519231349.db2.gz LSLNPDAFPOPMEQ-UHFFFAOYSA-N 0 0 395.484 4.123 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2sc(C)c(C)c2c1=O ZINC000002815481 519231687 /nfs/dbraw/zinc/23/16/87/519231687.db2.gz JPAFDPSGVBFVBC-UHFFFAOYSA-N 0 0 388.489 4.375 50 30 GIEARN CC(C)c1nn(C)c(Cl)c1/C=C\C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000098054934 519881899 /nfs/dbraw/zinc/88/18/99/519881899.db2.gz HWEXQNPWNAOAQU-ALCCZGGFSA-N 0 0 391.874 4.069 50 30 GIEARN CCCCCCCCNC(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000102771492 520035469 /nfs/dbraw/zinc/03/54/69/520035469.db2.gz UQVKRANTZVUXQQ-QGZVFWFLSA-N 0 0 377.485 4.276 50 30 GIEARN CCCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1F ZINC000101284750 520038953 /nfs/dbraw/zinc/03/89/53/520038953.db2.gz QJMNUKDAVRAMIH-SFHVURJKSA-N 0 0 387.459 4.005 50 30 GIEARN CCCCCCCN1C(=O)C[C@H](C(=O)NC)S/C1=N\c1cccc(Cl)c1 ZINC000097959672 520051361 /nfs/dbraw/zinc/05/13/61/520051361.db2.gz NLWSUMLGCTTZRU-BWORXHKJSA-N 0 0 395.956 4.378 50 30 GIEARN CCCCCCCN1C(=O)C[C@@H](C(=O)NC)S/C1=N\c1cccc(Cl)c1 ZINC000097959673 520051645 /nfs/dbraw/zinc/05/16/45/520051645.db2.gz NLWSUMLGCTTZRU-VFOOBRQFSA-N 0 0 395.956 4.378 50 30 GIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000101662318 520067489 /nfs/dbraw/zinc/06/74/89/520067489.db2.gz JZHZIRQVLSSDCK-FQEVSTJZSA-N 0 0 393.915 4.258 50 30 GIEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000101662389 520067715 /nfs/dbraw/zinc/06/77/15/520067715.db2.gz MHIWZRXIAZCFPK-HSZRJFAPSA-N 0 0 395.503 4.449 50 30 GIEARN CCCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cc(OC)cc(OC)c1 ZINC000028048814 520127251 /nfs/dbraw/zinc/12/72/51/520127251.db2.gz UODBYVPSGYWTCG-UHFFFAOYSA-N 0 0 397.431 4.290 50 30 GIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000019229257 520227964 /nfs/dbraw/zinc/22/79/64/520227964.db2.gz RHKMCVYSTAFDEO-FQEVSTJZSA-N 0 0 382.504 4.419 50 30 GIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1OC)O2 ZINC000020610485 520416057 /nfs/dbraw/zinc/41/60/57/520416057.db2.gz AJTMBZLVYDYVLN-MOSHPQCFSA-N 0 0 397.471 4.258 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000102859018 520556595 /nfs/dbraw/zinc/55/65/95/520556595.db2.gz OTNAOPIMEUTNAB-JBCNATCCSA-N 0 0 392.499 4.283 50 30 GIEARN CCCCNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000100865926 520628664 /nfs/dbraw/zinc/62/86/64/520628664.db2.gz LZWJUSCKNNMNAA-QCLNCQLRSA-N 0 0 381.501 4.129 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)ccc1OC ZINC000100059005 520699703 /nfs/dbraw/zinc/69/97/03/520699703.db2.gz LHXAPGGOOJIAOY-OAQYLSRUSA-N 0 0 399.487 4.015 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004626403 521168459 /nfs/dbraw/zinc/16/84/59/521168459.db2.gz TYGSOACVXFGKEH-YWZLYKJASA-N 0 0 389.492 4.205 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\C1CCCCCC1 ZINC000017242784 521529496 /nfs/dbraw/zinc/52/94/96/521529496.db2.gz JNZCUNACGHGWKK-GLEDVZQVSA-N 0 0 387.549 4.366 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000002926405 521709699 /nfs/dbraw/zinc/70/96/99/521709699.db2.gz QVOANCKNJKSRRY-HXUWFJFHSA-N 0 0 385.529 4.259 50 30 GIEARN CC[C@@H](C)[NH+]=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000095108938 521900458 /nfs/dbraw/zinc/90/04/58/521900458.db2.gz GISAQIXBQRRWCH-OTCZBXRXSA-N 0 0 382.411 4.402 50 30 GIEARN COC(=O)c1ccc(NC(=Nc2cccc(C)c2)n2sc(C)cc2=N)cc1 ZINC000020407950 521938851 /nfs/dbraw/zinc/93/88/51/521938851.db2.gz GXCLPODABXLSMX-UHFFFAOYSA-N 0 0 380.473 4.080 50 30 GIEARN COc1cc(/C=C\C(=O)N(C)[C@@H]2CCCc3ccccc32)ccc1OCC#N ZINC000096822875 521979132 /nfs/dbraw/zinc/97/91/32/521979132.db2.gz JBAZJKNZDITHHR-DDNJPHGJSA-N 0 0 376.456 4.147 50 30 GIEARN COc1cc(C(=O)/C=C\c2c(Cl)nc3ccccn32)ccc1OC(F)F ZINC000096759046 522052765 /nfs/dbraw/zinc/05/27/65/522052765.db2.gz OODVTOKGVBKYCN-SREVYHEPSA-N 0 0 378.762 4.494 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611449 522781369 /nfs/dbraw/zinc/78/13/69/522781369.db2.gz XRKCWQDQCOKUSD-UFWORHAWSA-N 0 0 397.287 4.490 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C ZINC000022611855 522878722 /nfs/dbraw/zinc/87/87/22/522878722.db2.gz FCKIBCKRQPKTMY-HXUWFJFHSA-N 0 0 383.488 4.251 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019925461 522879051 /nfs/dbraw/zinc/87/90/51/522879051.db2.gz OQPZXJDTPYMOSO-KRWDZBQOSA-N 0 0 393.405 4.482 50 30 GIEARN COC(=O)C1=CNC2=C(C(=O)CCS2)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000025315195 522900366 /nfs/dbraw/zinc/90/03/66/522900366.db2.gz XIQUKMSWJGPPGO-IBGZPJMESA-N 0 0 377.465 4.015 50 30 GIEARN COc1cc([C@@H]2CC(=O)C3C=Nc4ccccc4N=C3C2)cc(OC)c1OC ZINC000100128977 522922059 /nfs/dbraw/zinc/92/20/59/522922059.db2.gz DBGJQXNYCJMNHM-ZDUSSCGKSA-N 0 0 378.428 4.241 50 30 GIEARN COc1cc2c(cc1OC)CN(/C=N/c1sc3c(c1C#N)CCCC3)CC2 ZINC000100569260 523025205 /nfs/dbraw/zinc/02/52/05/523025205.db2.gz NUYPDAOGXMTYSE-YDZHTSKRSA-N 0 0 381.501 4.234 50 30 GIEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000033891817 523422429 /nfs/dbraw/zinc/42/24/29/523422429.db2.gz UOAYPLOLOJPBLJ-HTIXJGPSSA-N 0 0 381.501 4.248 50 30 GIEARN COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(Cl)cc1Cl ZINC000005676012 523457351 /nfs/dbraw/zinc/45/73/51/523457351.db2.gz YFGKKCMZFXYPFK-GZIVZEMBSA-N 0 0 377.231 4.055 50 30 GIEARN COc1ccc(/C=N/n2cnnc2)cc1CSc1nc2ccccc2s1 ZINC000002210821 523457654 /nfs/dbraw/zinc/45/76/54/523457654.db2.gz WTVYDVMNEBMFIQ-ZVBGSRNCSA-N 0 0 381.486 4.071 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2Br)cc1 ZINC000013137530 523537810 /nfs/dbraw/zinc/53/78/10/523537810.db2.gz RNDDPEKIFLRFOS-RMKNXTFCSA-N 0 0 377.234 4.371 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 ZINC000013127806 523566486 /nfs/dbraw/zinc/56/64/86/523566486.db2.gz MUTNBANEJCEGOY-GOSISDBHSA-N 0 0 395.436 4.128 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F ZINC000101315666 523664928 /nfs/dbraw/zinc/66/49/28/523664928.db2.gz BMWNXJGSLDSXRS-OPURJYLOSA-N 0 0 380.419 4.057 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(F)cc1 ZINC000101315436 523669757 /nfs/dbraw/zinc/66/97/57/523669757.db2.gz RTLPBYJEMADABF-OACQNMCBSA-N 0 0 380.419 4.057 50 30 GIEARN CCn1ncc(C(=O)/C=C/c2ccc(OC)c(Cn3cc(Cl)cn3)c2)c1C ZINC000006556029 523689525 /nfs/dbraw/zinc/68/95/25/523689525.db2.gz NZVULQXIWJGGRO-FNORWQNLSA-N 0 0 384.867 4.014 50 30 GIEARN CCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(C)=O ZINC000068454603 523698718 /nfs/dbraw/zinc/69/87/18/523698718.db2.gz JEXLNBIEEULRGN-HNNXBMFYSA-N 0 0 378.259 4.390 50 30 GIEARN COc1ccc(CC[C@](C)(O)C#CCN2CCCC[C@@H]2c2cccnc2)cc1 ZINC000055236061 523983813 /nfs/dbraw/zinc/98/38/13/523983813.db2.gz IRUDFFVUOWSUDD-DNQXCXABSA-N 0 0 378.516 4.004 50 30 GIEARN CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000029939459 524051488 /nfs/dbraw/zinc/05/14/88/524051488.db2.gz ZSNQPQCGHNBTOG-NRFANRHFSA-N 0 0 381.545 4.332 50 30 GIEARN N#Cc1c2c(sc1/N=C1\C(=O)Nc3ccc(Br)cc31)CCCC2 ZINC000005450540 534766974 /nfs/dbraw/zinc/76/69/74/534766974.db2.gz PDODZIUQFRVXQT-UHFFFAOYSA-N 0 0 386.274 4.334 50 30 GIEARN COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCC2)C1=O ZINC000020649841 524317733 /nfs/dbraw/zinc/31/77/33/524317733.db2.gz WHEMBMPIXMTFNQ-XNRSFFRDSA-N 0 0 377.440 4.169 50 30 GIEARN COc1ccc(NC(=Nc2ccc(F)cc2)n2sc(C)cc2=N)c(OC)c1 ZINC000020343812 524379620 /nfs/dbraw/zinc/37/96/20/524379620.db2.gz JCVIQJNLBSDWCX-UHFFFAOYSA-N 0 0 386.452 4.142 50 30 GIEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccs2)n1 ZINC000018113415 524580575 /nfs/dbraw/zinc/58/05/75/524580575.db2.gz UIAFVGXJOGXMDC-FQEVSTJZSA-N 0 0 379.485 4.058 50 30 GIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)o1 ZINC000100447936 524584497 /nfs/dbraw/zinc/58/44/97/524584497.db2.gz WIGCLGUACDFYSF-JOCHJYFZSA-N 0 0 392.455 4.203 50 30 GIEARN Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2)c2c1C(=O)/C(=C\c1ccncc1)O2 ZINC000037857520 525311306 /nfs/dbraw/zinc/31/13/06/525311306.db2.gz DYWVGPQRVOCJAT-FYJGNVAPSA-N 0 0 386.451 4.344 50 30 GIEARN COc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1 ZINC000017180486 525778412 /nfs/dbraw/zinc/77/84/12/525778412.db2.gz HVZZQTJRQNXXKY-GFMRDNFCSA-N 0 0 396.406 4.293 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000102491049 525788288 /nfs/dbraw/zinc/78/82/88/525788288.db2.gz OGAAYIRCBDPCBN-LFVOPCPISA-N 0 0 390.464 4.386 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccccc2)cc1 ZINC000102434566 525946229 /nfs/dbraw/zinc/94/62/29/525946229.db2.gz RODDIZGEKSXMLZ-MRJHHRETSA-N 0 0 384.435 4.012 50 30 GIEARN Cc1c2ccccc2oc1C(=O)O[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000005310751 525982079 /nfs/dbraw/zinc/98/20/79/525982079.db2.gz CSVBRKGSSOGMCF-INIZCTEOSA-N 0 0 376.412 4.233 50 30 GIEARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023275 526008060 /nfs/dbraw/zinc/00/80/60/526008060.db2.gz LMVGBEZTGLFGQT-CYUIRQCWSA-N 0 0 394.500 4.426 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1 ZINC000004312709 526023976 /nfs/dbraw/zinc/02/39/76/526023976.db2.gz MPXMEVUGBLJMQN-QFIPXVFZSA-N 0 0 398.462 4.477 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccco2)cc1F ZINC000006565402 526026675 /nfs/dbraw/zinc/02/66/75/526026675.db2.gz CEPWZFWEFRSOTR-GOSISDBHSA-N 0 0 381.359 4.099 50 30 GIEARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000012560683 526087845 /nfs/dbraw/zinc/08/78/45/526087845.db2.gz BWOVNHQPZJSLIG-UHFFFAOYSA-N 0 0 398.465 4.165 50 30 GIEARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1cccc(Cl)c1Cl ZINC000082107418 526235607 /nfs/dbraw/zinc/23/56/07/526235607.db2.gz RVUGDLIYPBIFIL-JTQLQIEISA-N 0 0 393.274 4.272 50 30 GIEARN Cc1ccc(C)c(-n2ccnc2SCC(=O)N(CCC#N)Cc2ccco2)c1 ZINC000008013071 526257372 /nfs/dbraw/zinc/25/73/72/526257372.db2.gz VRKCNAHGAJOVGJ-UHFFFAOYSA-N 0 0 394.500 4.117 50 30 GIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)c1 ZINC000000798051 526257614 /nfs/dbraw/zinc/25/76/14/526257614.db2.gz FHHTXTIIJHHWGZ-HXUWFJFHSA-N 0 0 388.423 4.070 50 30 GIEARN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000018044156 526268442 /nfs/dbraw/zinc/26/84/42/526268442.db2.gz PPUHWCYCQUSFTB-DNVCBOLYSA-N 0 0 397.858 4.097 50 30 GIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000018055086 526268771 /nfs/dbraw/zinc/26/87/71/526268771.db2.gz PPUHWCYCQUSFTB-HNAYVOBHSA-N 0 0 397.858 4.097 50 30 GIEARN N=C(COc1ccc(C2SCCS2)cc1)NOC(=O)Nc1ccccc1 ZINC000004394443 526811975 /nfs/dbraw/zinc/81/19/75/526811975.db2.gz XJVQJTAHUYPZCI-UHFFFAOYSA-N 0 0 389.502 4.065 50 30 GIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F ZINC000001128357 526833316 /nfs/dbraw/zinc/83/33/16/526833316.db2.gz YGCQVXSDMKNTDS-QGZVFWFLSA-N 0 0 383.400 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CCOc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1cccnc1 ZINC000046127133 570210165 /nfs/dbraw/zinc/21/01/65/570210165.db2.gz SKDVDCVBQZEPSO-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(F)cc2)cc1 ZINC000046126491 570210177 /nfs/dbraw/zinc/21/01/77/570210177.db2.gz KQXLYWWUIKLSND-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000046129162 570211131 /nfs/dbraw/zinc/21/11/31/570211131.db2.gz NKOSHOKNZITMDT-KRWDZBQOSA-N 0 0 389.858 4.164 50 30 GIEARN CC(C)c1ccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)cc1 ZINC000046130642 570211651 /nfs/dbraw/zinc/21/16/51/570211651.db2.gz LKENHDJQWDTDPS-FQEVSTJZSA-N 0 0 383.467 4.326 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(CC)cc2)NC[C@H]2CCCO2)cc1 ZINC000046133380 570212135 /nfs/dbraw/zinc/21/21/35/570212135.db2.gz ZZADTMUGRKBHGP-OAQYLSRUSA-N 0 0 379.504 4.188 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C/c1ccc(-n2cncn2)c(F)c1 ZINC000048314846 570235118 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CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001170234 570253001 /nfs/dbraw/zinc/25/30/01/570253001.db2.gz YTHIZUDWNLXOKX-NRFANRHFSA-N 0 0 377.400 4.122 50 30 GIEARN COc1ccc(C(=O)C=CNc2ccccc2I)cc1 ZINC000001214735 570258439 /nfs/dbraw/zinc/25/84/39/570258439.db2.gz PFFILDOYCNXNSQ-ZHACJKMWSA-N 0 0 379.197 4.108 50 30 GIEARN CC1=C(CC(=O)c2sccc2Br)C(=O)c2ccccc2C1=O ZINC000001383107 570261553 /nfs/dbraw/zinc/26/15/53/570261553.db2.gz PDFKFXFZHYHCIS-UHFFFAOYSA-N 0 0 375.243 4.479 50 30 GIEARN CCOc1ccc(OC[C@H](O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000012847217 570265184 /nfs/dbraw/zinc/26/51/84/570265184.db2.gz SEHBDQNBVQDUGE-OAQYLSRUSA-N 0 0 389.451 4.443 50 30 GIEARN C/C(=N/O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000100436890 570272308 /nfs/dbraw/zinc/27/23/08/570272308.db2.gz CRTJKGVYNGBLGV-MYYYXRDXSA-N 0 0 389.455 4.073 50 30 GIEARN O=C(C(=CNc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccco1 ZINC000100467109 570272522 /nfs/dbraw/zinc/27/25/22/570272522.db2.gz 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O=C(C[C@H](c1ccccc1)C1([N+](=O)[O-])C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002463096 570287785 /nfs/dbraw/zinc/28/77/85/570287785.db2.gz OCPVLXZZXNCLRR-HXUWFJFHSA-N 0 0 399.402 4.138 50 30 GIEARN N#Cc1ccc(NC(=O)CN(Cc2ccccc2)c2nccs2)cc1Cl ZINC000072308676 570303555 /nfs/dbraw/zinc/30/35/55/570303555.db2.gz ZYBIPLMGSIZBEE-UHFFFAOYSA-N 0 0 382.876 4.313 50 30 GIEARN COc1ccc([C@H](CC(=O)c2ccccc2)C(Br)(C#N)C#N)cc1 ZINC000003073457 570327700 /nfs/dbraw/zinc/32/77/00/570327700.db2.gz ZRSKQGYWJRYAPO-KRWDZBQOSA-N 0 0 383.245 4.233 50 30 GIEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1Cl ZINC000011689725 570327803 /nfs/dbraw/zinc/32/78/03/570327803.db2.gz KDIAVEZHVTYOOR-IXJMWADBSA-N 0 0 378.284 4.158 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccc(Br)s1 ZINC000012348092 570371006 /nfs/dbraw/zinc/37/10/06/570371006.db2.gz MVPKHLRITSCELW-LBPRGKRZSA-N 0 0 394.294 4.140 50 30 GIEARN C=CCN(C(=O)CSc1cc(=O)n(CC)c2ccccc12)c1ccccc1 ZINC000004936657 570375616 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CCN(C(C)=O)c1nc(/C=C2\CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 ZINC000026433506 570425671 /nfs/dbraw/zinc/42/56/71/570425671.db2.gz IPQJHZUSGHFMBJ-XYOKQWHBSA-N 0 0 383.448 4.349 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005409041 570438238 /nfs/dbraw/zinc/43/82/38/570438238.db2.gz JYSTTYUZXWSDLJ-IIBYNOLFSA-N 0 0 393.483 4.078 50 30 GIEARN COc1ccc(CNc2cccc(Cn3cccn3)c2)cc1OCCCC#N ZINC000089465946 570453264 /nfs/dbraw/zinc/45/32/64/570453264.db2.gz WBIQOGMYSUVHCK-UHFFFAOYSA-N 0 0 376.460 4.235 50 30 GIEARN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000225495508 570456135 /nfs/dbraw/zinc/45/61/35/570456135.db2.gz AAASQGZXSCFKMN-LPHOPBHVSA-N 0 0 388.558 4.455 50 30 GIEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 ZINC000064450262 570464525 /nfs/dbraw/zinc/46/45/25/570464525.db2.gz GTLHUULLSVXBAS-UHFFFAOYSA-N 0 0 396.516 4.418 50 30 GIEARN CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(OCC)c1 ZINC000002281096 570465033 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DJNVJPXIMDCSLQ-NZQKXSOJSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccs1 ZINC000225510808 570581879 /nfs/dbraw/zinc/58/18/79/570581879.db2.gz OLCASSOXVDMHGR-UZLBHIALSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@@H]1c1ccc(F)cc1 ZINC000225512841 570582237 /nfs/dbraw/zinc/58/22/37/570582237.db2.gz GFBQCIOHXXOYFL-IFMALSPDSA-N 0 0 381.447 4.211 50 30 GIEARN N#CCCN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000005391823 570583172 /nfs/dbraw/zinc/58/31/72/570583172.db2.gz BXCNOQGLRJVEKC-UHFFFAOYSA-N 0 0 398.875 4.429 50 30 GIEARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C/C(=O)c1c(C)nn(C)c1C ZINC000064926178 570594877 /nfs/dbraw/zinc/59/48/77/570594877.db2.gz GXZJNVYQECSHBI-MDZDMXLPSA-N 0 0 386.858 4.279 50 30 GIEARN CCOC(=O)c1noc(C)c1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000013641034 570663446 /nfs/dbraw/zinc/66/34/46/570663446.db2.gz UGXOQMSQQIIZRB-UHFFFAOYSA-N 0 0 385.367 4.046 50 30 GIEARN CC(C)(C)CC(C)(C)NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013683867 570668728 /nfs/dbraw/zinc/66/87/28/570668728.db2.gz ZSGCTUMDAMNFNC-UHFFFAOYSA-N 0 0 391.581 4.034 50 30 GIEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NCCCn1ccnc1 ZINC000012418868 570670737 /nfs/dbraw/zinc/67/07/37/570670737.db2.gz FGWJZHXATWRJIB-UHFFFAOYSA-N 0 0 389.415 4.084 50 30 GIEARN CCOc1ccccc1/C=C/C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000007586396 570678226 /nfs/dbraw/zinc/67/82/26/570678226.db2.gz NHMUUUYDKYTCSI-ZRDIBKRKSA-N 0 0 382.479 4.262 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000006909871 570699270 /nfs/dbraw/zinc/69/92/70/570699270.db2.gz SNVCCFWDTHJBMO-GHMZBOCLSA-N 0 0 399.347 4.437 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000013130251 570747885 /nfs/dbraw/zinc/74/78/85/570747885.db2.gz ANXLLNKPSOBJTQ-HXUWFJFHSA-N 0 0 388.398 4.312 50 30 GIEARN CCc1c(C)sc(NC(=O)COc2ccc(Br)cc2)c1C#N ZINC000001054647 570748682 /nfs/dbraw/zinc/74/86/82/570748682.db2.gz 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Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)n1 ZINC000005813259 570774485 /nfs/dbraw/zinc/77/44/85/570774485.db2.gz UGXOZDUQRMSDPV-GOSISDBHSA-N 0 0 376.437 4.234 50 30 GIEARN CC1([C@@H]2[C@H](C#N)C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OCCO1 ZINC000257356256 570785877 /nfs/dbraw/zinc/78/58/77/570785877.db2.gz HBKNLOFNSJJGPD-SNPBOTQKSA-N 0 0 385.548 4.439 50 30 GIEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000004464924 570794323 /nfs/dbraw/zinc/79/43/23/570794323.db2.gz AZQVTRZLTCFNFO-SXGWCWSVSA-N 0 0 388.217 4.126 50 30 GIEARN N#CCN(C(=O)COc1ccc(Br)cc1Cl)c1ccccc1 ZINC000011399361 570794821 /nfs/dbraw/zinc/79/48/21/570794821.db2.gz OJDVUHAIMLWPJI-UHFFFAOYSA-N 0 0 379.641 4.038 50 30 GIEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000018196226 570808601 /nfs/dbraw/zinc/80/86/01/570808601.db2.gz UEWAUZKCVZNTKH-XIKOKIGWSA-N 0 0 382.876 4.409 50 30 GIEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Cl)cc1)/C(=N/O)CCC2 ZINC000101178687 570816267 /nfs/dbraw/zinc/81/62/67/570816267.db2.gz BADSTORRMJHCDD-FYJGNVAPSA-N 0 0 392.864 4.345 50 30 GIEARN Cc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccs1 ZINC000101475058 570824017 /nfs/dbraw/zinc/82/40/17/570824017.db2.gz YREDYJZCNUOTDU-SFHVURJKSA-N 0 0 375.457 4.052 50 30 GIEARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012527801 570832117 /nfs/dbraw/zinc/83/21/17/570832117.db2.gz UUUSEHWROWYIPZ-UHFFFAOYSA-N 0 0 386.499 4.132 50 30 GIEARN Cc1cccc(NC(=O)CSc2nc(C)cc(-c3cccs3)c2C#N)n1 ZINC000005705321 570836176 /nfs/dbraw/zinc/83/61/76/570836176.db2.gz DWHCUXWAYVPRSK-UHFFFAOYSA-N 0 0 380.498 4.424 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012538894 570838246 /nfs/dbraw/zinc/83/82/46/570838246.db2.gz GHYAILRZPMTLJD-XMMPIXPASA-N 0 0 398.462 4.292 50 30 GIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1Cl ZINC000102045877 570839590 /nfs/dbraw/zinc/83/95/90/570839590.db2.gz MDQMQPMNMZTKHN-SFHVURJKSA-N 0 0 391.858 4.384 50 30 GIEARN CC(C)(C)c1ccc(Cn2nccc2NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000102633003 570855096 /nfs/dbraw/zinc/85/50/96/570855096.db2.gz REUHWPJQZKIJKL-UHFFFAOYSA-N 0 0 379.504 4.483 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(F)c1 ZINC000170615209 570873750 /nfs/dbraw/zinc/87/37/50/570873750.db2.gz KLXNLCJBWBQLQU-IRLDBZIGSA-N 0 0 398.430 4.162 50 30 GIEARN C=C(C)C1(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CCOCC1 ZINC000170617199 570876036 /nfs/dbraw/zinc/87/60/36/570876036.db2.gz YBZVEMPAYJIKII-UHFFFAOYSA-N 0 0 391.471 4.400 50 30 GIEARN Cc1ccc([N-]C(NC(=O)c2cccc(F)c2)(C(F)(F)F)C(F)(F)F)[nH+]c1 ZINC000015276578 570886568 /nfs/dbraw/zinc/88/65/68/570886568.db2.gz VQEOWJKODVYQEU-UHFFFAOYSA-N 0 0 395.278 4.192 50 30 GIEARN N#CC1(NC(=O)CSc2ncnc3sc4c(c32)CCC4)CCCCCC1 ZINC000042688495 570892897 /nfs/dbraw/zinc/89/28/97/570892897.db2.gz CMXGMVQVMJRUFR-UHFFFAOYSA-N 0 0 386.546 4.005 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000097104878 570894267 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C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc(F)c1 ZINC000004736333 570950835 /nfs/dbraw/zinc/95/08/35/570950835.db2.gz BVWQHURVISYDKV-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN CCOc1cc(/C=C2\Cc3c(cccc3O)C2=O)cc(Br)c1OC ZINC000011336061 570974988 /nfs/dbraw/zinc/97/49/88/570974988.db2.gz FRAQGPQZSGDTMX-KPKJPENVSA-N 0 0 389.245 4.384 50 30 GIEARN N#CCCn1cc(-c2csc(CC(=O)NCc3ccco3)n2)c2ccccc21 ZINC000012735295 570978086 /nfs/dbraw/zinc/97/80/86/570978086.db2.gz FBKDRUNIJJWEJJ-UHFFFAOYSA-N 0 0 390.468 4.130 50 30 GIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1 ZINC000044858848 570978298 /nfs/dbraw/zinc/97/82/98/570978298.db2.gz NOQLAZFRKRIWPU-NRFANRHFSA-N 0 0 384.439 4.157 50 30 GIEARN Cc1ccc(C)c(C(=O)C=CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000044844638 570980339 /nfs/dbraw/zinc/98/03/39/570980339.db2.gz LOVDLVWSOAYJDV-OUKQBFOZSA-N 0 0 398.528 4.287 50 30 GIEARN CCCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 ZINC000044973545 570985063 /nfs/dbraw/zinc/98/50/63/570985063.db2.gz 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O=C(CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000252598952 571004623 /nfs/dbraw/zinc/00/46/23/571004623.db2.gz DFIHSQMIFYSHEL-UHFFFAOYSA-N 0 0 396.428 4.365 50 30 GIEARN Cc1sc2nc(C)n(N=Cc3ccc(Br)cc3)c(=O)c2c1C ZINC000252601740 571005208 /nfs/dbraw/zinc/00/52/08/571005208.db2.gz FCISDLRTLSXQDU-UHFFFAOYSA-N 0 0 376.279 4.028 50 30 GIEARN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000252606858 571006941 /nfs/dbraw/zinc/00/69/41/571006941.db2.gz GWLWQRRMIMIZSS-JMJIWTKESA-N 0 0 380.488 4.134 50 30 GIEARN N#Cc1c(NC(=O)c2ccc(N3CCCC3=O)cc2)sc2c1CCCCC2 ZINC000084388134 571016021 /nfs/dbraw/zinc/01/60/21/571016021.db2.gz FRVKGKCCTQGPEJ-UHFFFAOYSA-N 0 0 379.485 4.268 50 30 GIEARN N#Cc1c(NC(=O)CCn2c(=O)oc3ccccc32)sc2c1CCCCCC2 ZINC000084600143 571026226 /nfs/dbraw/zinc/02/62/26/571026226.db2.gz SBOVRODVOVCPSC-UHFFFAOYSA-N 0 0 395.484 4.215 50 30 GIEARN COc1ccc(/C=C2\SC(=NN=Cc3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000252621203 571033462 /nfs/dbraw/zinc/03/34/62/571033462.db2.gz MVEMNPHEBQPCMW-ZVIZHOBCSA-N 0 0 379.485 4.413 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000012784630 571038029 /nfs/dbraw/zinc/03/80/29/571038029.db2.gz ITLQPAWLLQVTEK-LHSJRXKWSA-N 0 0 394.500 4.425 50 30 GIEARN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000004631027 571042344 /nfs/dbraw/zinc/04/23/44/571042344.db2.gz GWLWQRRMIMIZSS-MTDBSEBISA-N 0 0 380.488 4.134 50 30 GIEARN COc1cc2c(cc1OC)C(Nc1ccc(Br)cc1)=NC(C)(C)C2 ZINC000001438453 571043450 /nfs/dbraw/zinc/04/34/50/571043450.db2.gz OZUMDPSJSVFOBG-UHFFFAOYSA-N 0 0 389.293 4.469 50 30 GIEARN Cc1nc(SCC(=O)NCc2ccccc2Cl)c(C#N)c(C)c1Cl ZINC000001446049 571045516 /nfs/dbraw/zinc/04/55/16/571045516.db2.gz QGKHIJOUNJZTJL-UHFFFAOYSA-N 0 0 380.300 4.285 50 30 GIEARN C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCC ZINC000002322156 817384447 /nfs/dbraw/zinc/38/44/47/817384447.db2.gz PDAQKJUBDMNJBP-KRWDZBQOSA-N 0 0 380.492 4.373 50 30 GIEARN CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 ZINC000002335311 817384676 /nfs/dbraw/zinc/38/46/76/817384676.db2.gz WNARUGMAYFDEBN-SFHVURJKSA-N 0 0 393.535 4.312 50 30 GIEARN CC1(C)Cc2c(sc3nc(SCCC#N)n(-c4ccccc4)c(=O)c32)CO1 ZINC000002346865 817385212 /nfs/dbraw/zinc/38/52/12/817385212.db2.gz YSVSYDRFFJZLCY-UHFFFAOYSA-N 0 0 397.525 4.304 50 30 GIEARN CCCCCCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000003006262 817410897 /nfs/dbraw/zinc/41/08/97/817410897.db2.gz VHVBDJXUGMZRBV-UHFFFAOYSA-N 0 0 375.900 4.040 50 30 GIEARN CCOC(NC(=O)Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003183409 817420358 /nfs/dbraw/zinc/42/03/58/817420358.db2.gz BBLGDDUYSJROHV-UHFFFAOYSA-N 0 0 382.663 4.458 50 30 GIEARN CC1(C)CC2=C(SC3=N[C@](c4ccccc4)(C(F)(F)F)NC(=O)N32)C(=O)C1 ZINC000003218484 817423380 /nfs/dbraw/zinc/42/33/80/817423380.db2.gz VXWLOPDFLUHFRU-QGZVFWFLSA-N 0 0 395.406 4.130 50 30 GIEARN N#Cc1ccc(CSc2nnc(NC(=O)CCc3ccccc3)s2)cc1 ZINC000003355660 817441918 /nfs/dbraw/zinc/44/19/18/817441918.db2.gz MSZNSJFTIMDPPD-UHFFFAOYSA-N 0 0 380.498 4.273 50 30 GIEARN N#CCSc1ccccc1NC(=O)COc1ccc(F)cc1Br ZINC000003406194 817450079 /nfs/dbraw/zinc/45/00/79/817450079.db2.gz VCQLODFDYRRFGZ-UHFFFAOYSA-N 0 0 395.253 4.221 50 30 GIEARN N#CCCN(C(=O)COc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC000003428777 817454254 /nfs/dbraw/zinc/45/42/54/817454254.db2.gz DSUPCYMPJJMCSX-UHFFFAOYSA-N 0 0 395.203 4.053 50 30 GIEARN O=C1[C@H](Cc2ccccc2)S/C(=N\N=C\c2ccco2)N1c1ccccc1 ZINC000004160004 817507450 /nfs/dbraw/zinc/50/74/50/817507450.db2.gz WWJBBAVZMXDREP-JQHRZMLTSA-N 0 0 375.453 4.361 50 30 GIEARN Cc1ccc(NN=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1C ZINC000004175540 817508155 /nfs/dbraw/zinc/50/81/55/817508155.db2.gz ZOEORTUIGJZJDN-LFVJCYFKSA-N 0 0 376.441 4.495 50 30 GIEARN Cc1nc2ccccc2n1CCC1N=NC(=S)N1N=Cc1ccccc1Cl ZINC000004235714 817511230 /nfs/dbraw/zinc/51/12/30/817511230.db2.gz YYGOUWRXXMYUNP-UHFFFAOYSA-N 0 0 396.907 4.003 50 30 GIEARN COc1ccc(Br)cc1CN=Nc1oc(-c2ccccc2)nc1C#N ZINC000004276499 817516038 /nfs/dbraw/zinc/51/60/38/817516038.db2.gz UQQCPJWOIMOENJ-SRZZPIQSSA-N 0 0 397.232 4.430 50 30 GIEARN Cc1ccc(S(=O)(=O)NN=C2C[C@H](c3ccccc3)Oc3ccccc32)cc1 ZINC000004934093 817542185 /nfs/dbraw/zinc/54/21/85/817542185.db2.gz RVFWHCHTJGABLD-JOCHJYFZSA-N 0 0 392.480 4.201 50 30 GIEARN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000006052201 817644194 /nfs/dbraw/zinc/64/41/94/817644194.db2.gz NZORMDXWJGYPCK-UKTHLTGXSA-N 0 0 399.443 4.232 50 30 GIEARN N#Cc1c2c(sc1NC(=O)CN1CCc3sccc3[C@H]1C1CC1)CCC2 ZINC000007880023 817948225 /nfs/dbraw/zinc/94/82/25/817948225.db2.gz NBOZDFMNLKNJMT-LJQANCHMSA-N 0 0 383.542 4.118 50 30 GIEARN COc1cc(/C=C/C(=O)c2ccc(F)c(Br)c2)cc(OC)c1O ZINC000011335382 818073340 /nfs/dbraw/zinc/07/33/40/818073340.db2.gz XDCXIYABZSPRSW-ZZXKWVIFSA-N 0 0 381.197 4.207 50 30 GIEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000012526840 818166174 /nfs/dbraw/zinc/16/61/74/818166174.db2.gz IECDGDFKLOKFPU-VMPITWQZSA-N 0 0 387.863 4.090 50 30 GIEARN 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CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(NCCCn2ccnc2)o1 ZINC000027529803 207327345 /nfs/dbraw/zinc/32/73/45/207327345.db2.gz IQYFKTRBVWXFAX-FZMZJTMJSA-N 0 0 380.279 4.304 50 30 GIEARN COc1ccc(N2CCN(c3cc(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000032099709 207392655 /nfs/dbraw/zinc/39/26/55/207392655.db2.gz CCXBWPXOEXRQHQ-UHFFFAOYSA-N 0 0 397.482 4.003 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)c(OC)c2)nnc1-c1ccccc1 ZINC000003408156 207567125 /nfs/dbraw/zinc/56/71/25/207567125.db2.gz SNPHVCKCRTUMKJ-UHFFFAOYSA-N 0 0 395.484 4.123 50 30 GIEARN N#Cc1ccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000065031465 207829819 /nfs/dbraw/zinc/82/98/19/207829819.db2.gz RTWYKCZYNOABDC-UHFFFAOYSA-N 0 0 380.407 4.186 50 30 GIEARN Cc1cccc(Nc2nccc([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)c1 ZINC000065148033 207837690 /nfs/dbraw/zinc/83/76/90/207837690.db2.gz DCJIOXXFQCBJMC-FQEVSTJZSA-N 0 0 397.482 4.420 50 30 GIEARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000067257718 207884455 /nfs/dbraw/zinc/88/44/55/207884455.db2.gz JPOCEQGAVQCIGH-UHFFFAOYSA-N 0 0 390.468 4.063 50 30 GIEARN CCOc1ccccc1NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2 ZINC000095471996 208189947 /nfs/dbraw/zinc/18/99/47/208189947.db2.gz JHJLJFZMYUOFMY-UHFFFAOYSA-N 0 0 381.501 4.270 50 30 GIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000096346447 208309583 /nfs/dbraw/zinc/30/95/83/208309583.db2.gz UZYYCMIAZOEUJL-NHCUHLMSSA-N 0 0 384.483 4.140 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1cccs1 ZINC000097105072 208336413 /nfs/dbraw/zinc/33/64/13/208336413.db2.gz JRCMECKZXZITTI-UZLBHIALSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000097104872 208336848 /nfs/dbraw/zinc/33/68/48/208336848.db2.gz AWOQOWCGIVPNST-DENIHFKCSA-N 0 0 398.430 4.162 50 30 GIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(/C=C\c2ccccn2)c1 ZINC000096875815 208325374 /nfs/dbraw/zinc/32/53/74/208325374.db2.gz XMXWQQKZWFXZPK-KTKRTIGZSA-N 0 0 398.466 4.000 50 30 GIEARN CC1(C)CC(=O)C(C(c2cccc(O)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004236 208369564 /nfs/dbraw/zinc/36/95/64/208369564.db2.gz CLQHKWHMJDYBFU-IBGZPJMESA-N 0 0 384.472 4.251 50 30 GIEARN CCOC(=O)c1c(CC(C)C)csc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000100772842 208380791 /nfs/dbraw/zinc/38/07/91/208380791.db2.gz DDTSGEAYBAKTKP-UFFVCSGVSA-N 0 0 377.506 4.400 50 30 GIEARN O=C1c2ccccc2C(=O)C1=CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000100946693 208382325 /nfs/dbraw/zinc/38/23/25/208382325.db2.gz BTJPKPMCJZVIFM-UHFFFAOYSA-N 0 0 377.381 4.093 50 30 GIEARN O=c1c(Cl)c(N/N=C/c2ccc(Cl)cc2)cnn1Cc1ccc(F)cc1 ZINC000004159177 208537895 /nfs/dbraw/zinc/53/78/95/208537895.db2.gz SFWIOHBBNHONJB-LSFURLLWSA-N 0 0 391.233 4.184 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2ccc(C#N)cc2)nc1-c1ccccc1 ZINC000004661215 208546217 /nfs/dbraw/zinc/54/62/17/208546217.db2.gz GLZWLGFKHFZXQH-UHFFFAOYSA-N 0 0 377.425 4.111 50 30 GIEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccc(C)cc2C)cc1 ZINC000005072129 208665091 /nfs/dbraw/zinc/66/50/91/208665091.db2.gz FEVYXGUIFIEGRU-PDSQJMCPSA-N 0 0 381.501 4.166 50 30 GIEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc(O)cc2C)c2ccccc2)cc1 ZINC000006023538 208676388 /nfs/dbraw/zinc/67/63/88/208676388.db2.gz XALPAXZPZHAHIY-UHFFFAOYSA-N 0 0 380.469 4.257 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccc(C)c3)C2)cc1 ZINC000005324078 208670049 /nfs/dbraw/zinc/67/00/49/208670049.db2.gz PDNHZLVOIXRKLL-VGSWGCGISA-N 0 0 386.455 4.011 50 30 GIEARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)OCc1ccc(C#N)cc1 ZINC000010811782 208759382 /nfs/dbraw/zinc/75/93/82/208759382.db2.gz XEUHCMIWXZCZLK-UHFFFAOYSA-N 0 0 384.439 4.047 50 30 GIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)c(OC)c1 ZINC000217654454 533201743 /nfs/dbraw/zinc/20/17/43/533201743.db2.gz ATXGMHNIJYWIDZ-OAHLLOKOSA-N 0 0 380.396 4.014 50 30 GIEARN COc1cc(C#N)ccc1OCCCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000040133218 533501946 /nfs/dbraw/zinc/50/19/46/533501946.db2.gz TUSMAXXGCDOGRR-UHFFFAOYSA-N 0 0 382.504 4.009 50 30 GIEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@H]1c1ccc(C#N)cc1 ZINC000012553275 136200456 /nfs/dbraw/zinc/20/04/56/136200456.db2.gz ZMZIIUMCCXFLJU-FQEVSTJZSA-N 0 0 391.496 4.058 50 30 GIEARN CCOc1cc(C#N)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000002874828 517724144 /nfs/dbraw/zinc/72/41/44/517724144.db2.gz NFUIHWHHSTUMQX-UHFFFAOYSA-N 0 0 377.194 4.207 50 30 GIEARN C#CCOc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)ccc1OC ZINC000036359348 518319807 /nfs/dbraw/zinc/31/98/07/518319807.db2.gz TUIOGRYAENWTHQ-KRWDZBQOSA-N 0 0 391.402 4.156 50 30 GIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1OC ZINC000036360434 518328127 /nfs/dbraw/zinc/32/81/27/518328127.db2.gz HJFPSYJEBFSIAP-KRWDZBQOSA-N 0 0 391.402 4.156 50 30 GIEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1nc2ccccc2s1 ZINC000100910100 518342297 /nfs/dbraw/zinc/34/22/97/518342297.db2.gz KZPQDNFJBPFIPJ-XDOYNYLZSA-N 0 0 393.493 4.086 50 30 GIEARN C#CCn1c2ccc(OC)cc2sc1=NC(=O)Cc1cccc2ccccc21 ZINC000100875906 518343857 /nfs/dbraw/zinc/34/38/57/518343857.db2.gz JASZUHBZEBWYDL-VHXPQNKSSA-N 0 0 386.476 4.168 50 30 GIEARN C/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000004550851 518468127 /nfs/dbraw/zinc/46/81/27/518468127.db2.gz MAHYCIPBXAOGGT-VXLYETTFSA-N 0 0 383.187 4.248 50 30 GIEARN C=C(C)CN1CC[NH+]([C@H](C(=O)[O-])c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000020737106 518603072 /nfs/dbraw/zinc/60/30/72/518603072.db2.gz CJICBYGGLMTGMP-QHCPKHFHSA-N 0 0 389.499 4.154 50 30 GIEARN C=C(C)COc1ccc(-c2nc(N)ncc2Oc2ccccc2OC)c(O)c1 ZINC000017731709 518614043 /nfs/dbraw/zinc/61/40/43/518614043.db2.gz UEQKOLCVHNJBEI-UHFFFAOYSA-N 0 0 379.416 4.187 50 30 GIEARN C=C(C)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O ZINC000012663022 518616688 /nfs/dbraw/zinc/61/66/88/518616688.db2.gz SNWNNLWPQBAGGK-GRSHGNNSSA-N 0 0 382.412 4.284 50 30 GIEARN C=C(Cl)CN(CCC(=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000003053493 518649509 /nfs/dbraw/zinc/64/95/09/518649509.db2.gz YKSSDVMWFSKQLR-UHFFFAOYSA-N 0 0 377.893 4.011 50 30 GIEARN C=CCN(C(=O)c1ccc(C)cc1)[C@@H](C)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C ZINC000036003726 518736653 /nfs/dbraw/zinc/73/66/53/518736653.db2.gz JXYPNYVFKAMLND-KRWDZBQOSA-N 0 0 396.487 4.016 50 30 GIEARN C=CCN(CCSc1ccccc1)C(=O)c1cnc2ccc(C)cc2c1O ZINC000055074140 518775218 /nfs/dbraw/zinc/77/52/18/518775218.db2.gz IOVWWWMDDCLOLB-UHFFFAOYSA-N 0 0 378.497 4.257 50 30 GIEARN C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020353794 518836819 /nfs/dbraw/zinc/83/68/19/518836819.db2.gz JZEJVPDLRZKZAX-SFHVURJKSA-N 0 0 397.862 4.000 50 30 GIEARN C=CCN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)C1=O ZINC000020721921 518879674 /nfs/dbraw/zinc/87/96/74/518879674.db2.gz GBOGVVWHRBJTNW-DEOSSOPVSA-N 0 0 398.466 4.300 50 30 GIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1 ZINC000037546718 518886275 /nfs/dbraw/zinc/88/62/75/518886275.db2.gz RDTCVAALSZMDLC-UHFFFAOYSA-N 0 0 379.435 4.347 50 30 GIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3F)c(OC)c2)n1 ZINC000034712216 518947333 /nfs/dbraw/zinc/94/73/33/518947333.db2.gz SLNYISIEOAGZQG-UHFFFAOYSA-N 0 0 398.459 4.453 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1C ZINC000008429237 519170529 /nfs/dbraw/zinc/17/05/29/519170529.db2.gz LULLJDQVFQGSSK-UHFFFAOYSA-N 0 0 380.517 4.370 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1C ZINC000002624644 519171012 /nfs/dbraw/zinc/17/10/12/519171012.db2.gz DMFWBCLBXJKMEE-UHFFFAOYSA-N 0 0 384.480 4.201 50 30 GIEARN C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O ZINC000000629612 519200792 /nfs/dbraw/zinc/20/07/92/519200792.db2.gz HUQDTBSIDBRMSD-UHFFFAOYSA-N 0 0 393.512 4.116 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1C1CCCCC1 ZINC000004286544 519214439 /nfs/dbraw/zinc/21/44/39/519214439.db2.gz NBZAKLQCMPXLRO-UHFFFAOYSA-N 0 0 381.505 4.114 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(OC)cc1 ZINC000005855471 519215908 /nfs/dbraw/zinc/21/59/08/519215908.db2.gz OGWJAIVRIXWBJI-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1ccoc1C ZINC000003304193 519217266 /nfs/dbraw/zinc/21/72/66/519217266.db2.gz CVKUSYOOPNRLLM-UHFFFAOYSA-N 0 0 390.415 4.042 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccco1 ZINC000004452050 519217669 /nfs/dbraw/zinc/21/76/69/519217669.db2.gz SOSSBNNGHMHKIX-UHFFFAOYSA-N 0 0 392.843 4.247 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(F)cc1 ZINC000002200740 519217883 /nfs/dbraw/zinc/21/78/83/519217883.db2.gz PWGROMGOZQSOGX-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(F)cc1 ZINC000002222530 519223070 /nfs/dbraw/zinc/22/30/70/519223070.db2.gz MLWRBBUUTUMYOJ-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(F)cc1 ZINC000002199180 519225965 /nfs/dbraw/zinc/22/59/65/519225965.db2.gz DVMFBXITTCLCLM-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c(SCC(=O)c2cccs2)nc2sc(CC)cc2c1=O ZINC000000909638 519233288 /nfs/dbraw/zinc/23/32/88/519233288.db2.gz YRRDWZGAEKXPDY-UHFFFAOYSA-N 0 0 376.528 4.243 50 30 GIEARN C=CCn1c(SCc2cc(=O)oc3cc(O)c(CC)cc23)nnc1C1CC1 ZINC000036818969 519237014 /nfs/dbraw/zinc/23/70/14/519237014.db2.gz OENWMXDIBBRVSQ-UHFFFAOYSA-N 0 0 383.473 4.008 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nc2ccccc2c1=O ZINC000003449038 519250865 /nfs/dbraw/zinc/25/08/65/519250865.db2.gz GBNDEBFHWVSELE-INIZCTEOSA-N 0 0 397.544 4.070 50 30 GIEARN C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccccc1 ZINC000005505088 519255227 /nfs/dbraw/zinc/25/52/27/519255227.db2.gz GLJAVVLOWIUVCZ-SFHVURJKSA-N 0 0 378.501 4.053 50 30 GIEARN C=CCn1c2scc(-c3ccccc3)c2c2nc(-c3cccnc3)nn2c1=O ZINC000032074227 519274070 /nfs/dbraw/zinc/27/40/70/519274070.db2.gz PQJQRWSYSZPRDL-UHFFFAOYSA-N 0 0 385.452 4.021 50 30 GIEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OC ZINC000101284507 520039003 /nfs/dbraw/zinc/03/90/03/520039003.db2.gz RVJOAASTXDGJSM-FQEVSTJZSA-N 0 0 398.507 4.479 50 30 GIEARN CCCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1 ZINC000101284781 520040113 /nfs/dbraw/zinc/04/01/13/520040113.db2.gz NWKKQMPJYREEAG-SFHVURJKSA-N 0 0 387.459 4.005 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCC ZINC000101285022 520059378 /nfs/dbraw/zinc/05/93/78/520059378.db2.gz DCLGWQZZNBLJDT-HXUWFJFHSA-N 0 0 398.507 4.479 50 30 GIEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000101662260 520068556 /nfs/dbraw/zinc/06/85/56/520068556.db2.gz PWJSZWMXQPXIDP-LJQANCHMSA-N 0 0 397.878 4.089 50 30 GIEARN CCN(C(C)=O)c1nc(/C=C2/CCc3[nH]c4ccc(F)cc4c3C2=O)cs1 ZINC000096405023 520133260 /nfs/dbraw/zinc/13/32/60/520133260.db2.gz IPQJHZUSGHFMBJ-WQLSENKSSA-N 0 0 383.448 4.349 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000100562973 520206489 /nfs/dbraw/zinc/20/64/89/520206489.db2.gz WKCXLGWPYOLQHG-OAQYLSRUSA-N 0 0 396.531 4.310 50 30 GIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000019535415 520228128 /nfs/dbraw/zinc/22/81/28/520228128.db2.gz NIVKXQPUNUJJTD-NRFANRHFSA-N 0 0 382.504 4.419 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036257775 520533487 /nfs/dbraw/zinc/53/34/87/520533487.db2.gz XPLFEODYKDMMJM-GZTJUZNOSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2ccc(O)cc2)C1=O ZINC000036258161 520538794 /nfs/dbraw/zinc/53/87/94/520538794.db2.gz ZBMDWABFTAXSJI-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 ZINC000103098599 520556303 /nfs/dbraw/zinc/55/63/03/520556303.db2.gz VIGSHLNAPFLZSG-WOOAAIBNSA-N 0 0 383.419 4.056 50 30 GIEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O ZINC000019973805 520689747 /nfs/dbraw/zinc/68/97/47/520689747.db2.gz PFGBOMKSATVFOM-UHFFFAOYSA-N 0 0 387.863 4.145 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 ZINC000025761649 520813292 /nfs/dbraw/zinc/81/32/92/520813292.db2.gz NTBMEFMRYPMEOP-HXUWFJFHSA-N 0 0 393.874 4.342 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000022611829 520818217 /nfs/dbraw/zinc/81/82/17/520818217.db2.gz JKPTUNMJXIONQF-FQEVSTJZSA-N 0 0 380.488 4.171 50 30 GIEARN CCOc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OC)C2=O)cc1 ZINC000027550362 520851612 /nfs/dbraw/zinc/85/16/12/520851612.db2.gz KQMHWAKLXGJUTR-LGMDPLHJSA-N 0 0 381.453 4.239 50 30 GIEARN CCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000003018815 520918690 /nfs/dbraw/zinc/91/86/90/520918690.db2.gz UNQHKCUXHVFJLV-IBGZPJMESA-N 0 0 395.484 4.156 50 30 GIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O ZINC000009577250 521216494 /nfs/dbraw/zinc/21/64/94/521216494.db2.gz YLYLPGIEHDJBIT-GQFJFNLSSA-N 0 0 382.412 4.032 50 30 GIEARN CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000033916034 521255348 /nfs/dbraw/zinc/25/53/48/521255348.db2.gz ZDGAPVBAKDJXBQ-YGAJUMRDSA-N 0 0 399.491 4.469 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1cccc(OC)c1 ZINC000033776735 521277030 /nfs/dbraw/zinc/27/70/30/521277030.db2.gz QDEINCFRUMQRIC-IFMALSPDSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)c1c(C)oc2c1C(=CNCc1cccnc1)C(=O)c1ccccc1-2 ZINC000100752555 521399831 /nfs/dbraw/zinc/39/98/31/521399831.db2.gz NEYULDNUTNPWIQ-AQTBWJFISA-N 0 0 388.423 4.154 50 30 GIEARN CCNC(=S)N=NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000012374201 521509439 /nfs/dbraw/zinc/50/94/39/521509439.db2.gz KJPKJMYZFCHFEJ-NHDPSOOVSA-N 0 0 377.897 4.157 50 30 GIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\C1CCCCCC1 ZINC000017242789 521533537 /nfs/dbraw/zinc/53/35/37/521533537.db2.gz JNZCUNACGHGWKK-NKWDDMGQSA-N 0 0 387.549 4.366 50 30 GIEARN CC[C@H](C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Br ZINC000030809269 521762241 /nfs/dbraw/zinc/76/22/41/521762241.db2.gz DWBSBILEYNPGGM-FBRGWYAUSA-N 0 0 393.241 4.376 50 30 GIEARN COc1cc(/C=C(/C(=O)C(F)(F)F)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000050934978 521921397 /nfs/dbraw/zinc/92/13/97/521921397.db2.gz MCVQMRALMPSQCQ-ZROIWOOFSA-N 0 0 376.334 4.252 50 30 GIEARN COC(=O)c1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 ZINC000015016526 521938042 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CCn1cc(C(=O)/C=C/c2ccc(OC)c(Cn3cc(Cl)cn3)c2)c(C)n1 ZINC000006636592 523315047 /nfs/dbraw/zinc/31/50/47/523315047.db2.gz JVMFKYZPQGWSHS-FNORWQNLSA-N 0 0 384.867 4.014 50 30 GIEARN COc1ccc(C(C)=NNc2nnc(SCc3ccccc3C)[nH]2)c(OC)c1 ZINC000020418659 523365171 /nfs/dbraw/zinc/36/51/71/523365171.db2.gz RBSURLZSSFLJLD-HYARGMPZSA-N 0 0 397.504 4.259 50 30 GIEARN COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccco2)C3=O)cc1 ZINC000005959325 523589364 /nfs/dbraw/zinc/58/93/64/523589364.db2.gz RXGSXMMIMHZTCW-MTJSOVHGSA-N 0 0 376.364 4.166 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(F)c1 ZINC000103002784 523665397 /nfs/dbraw/zinc/66/53/97/523665397.db2.gz OWSSRTRWFKPOJJ-OPURJYLOSA-N 0 0 380.419 4.057 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(F)c1 ZINC000103002787 523669907 /nfs/dbraw/zinc/66/99/07/523669907.db2.gz OWSSRTRWFKPOJJ-OACQNMCBSA-N 0 0 380.419 4.057 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cc(F)ccc1F ZINC000012385026 523669977 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COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(C)cc2C)cc1 ZINC000002369458 524020587 /nfs/dbraw/zinc/02/05/87/524020587.db2.gz FEVYXGUIFIEGRU-LNSRMSNSSA-N 0 0 381.501 4.166 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc2ncsc2c1 ZINC000003478982 524034901 /nfs/dbraw/zinc/03/49/01/524034901.db2.gz FIBGNVFFLPTAPO-RGVLZGJSSA-N 0 0 392.480 4.334 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2ccco2)o1 ZINC000096465799 524035314 /nfs/dbraw/zinc/03/53/14/524035314.db2.gz WBYWTANSPDHOEE-GZTJUZNOSA-N 0 0 381.457 4.302 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C\c1cccc(F)c1 ZINC000034720063 524035377 /nfs/dbraw/zinc/03/53/77/524035377.db2.gz LDNLRQJQAWKBOA-JXQAYSGNSA-N 0 0 379.431 4.263 50 30 GIEARN COc1cccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019536554 524108355 /nfs/dbraw/zinc/10/83/55/524108355.db2.gz MUKIKGVVZQODGT-OAQYLSRUSA-N 0 0 381.472 4.149 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)n1 ZINC000102486733 524532230 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4.248 50 30 GIEARN Cc1cc2c(c(Br)c1)N(C)C(=O)C2=NNc1cccc2cccnc21 ZINC000100497725 525590633 /nfs/dbraw/zinc/59/06/33/525590633.db2.gz QLOPFBPXUHWFGT-HAVVHWLPSA-N 0 0 395.260 4.098 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102649825 525787345 /nfs/dbraw/zinc/78/73/45/525787345.db2.gz OVKWOZBAGBWLBT-JBCNATCCSA-N 0 0 384.435 4.012 50 30 GIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000252394325 525862669 /nfs/dbraw/zinc/86/26/69/525862669.db2.gz HNDYSJUXSADAAZ-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN C[C@@H](OC(=O)/C=C\c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000096462880 525882963 /nfs/dbraw/zinc/88/29/63/525882963.db2.gz IDLIAIYVSGWSLL-BFFYNSAMSA-N 0 0 382.847 4.232 50 30 GIEARN C[C@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000007645863 525893025 /nfs/dbraw/zinc/89/30/25/525893025.db2.gz HBCXWJOZDSLBOK-SFHVURJKSA-N 0 0 390.483 4.165 50 30 GIEARN O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1ccco1 ZINC000001092584 526438201 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Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)sc1C ZINC000102799865 526961478 /nfs/dbraw/zinc/96/14/78/526961478.db2.gz KFZWSPWPPPRAHK-UYTDBDHRSA-N 0 0 396.493 4.448 50 30 GIEARN C=CCSc1ccccc1NC(=O)CN[C@H](C(=O)OC)c1c(C)cccc1C ZINC000225387749 527013563 /nfs/dbraw/zinc/01/35/63/527013563.db2.gz NCPUPKMMQGBPOI-NRFANRHFSA-N 0 0 398.528 4.024 50 30 GIEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@@H](c3ccccc3)C12 ZINC000040286818 527022604 /nfs/dbraw/zinc/02/26/04/527022604.db2.gz GNEXLBWRECTLQB-LIRRHRJNSA-N 0 0 376.391 4.188 50 30 GIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000017029151 527032364 /nfs/dbraw/zinc/03/23/64/527032364.db2.gz OHKQPIVUEOADSO-ODXCJYRJSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1N/C(=N/N=C\c2cccs2)S[C@H]1Cc1ccc(Cl)cc1Cl ZINC000016764499 527040190 /nfs/dbraw/zinc/04/01/90/527040190.db2.gz HEGIRXVLVLQKLJ-WUQDTEKSSA-N 0 0 384.313 4.219 50 30 GIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015016021 527041723 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O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=N/C[C@@H]2CCCO2)c1 ZINC000027024077 527383515 /nfs/dbraw/zinc/38/35/15/527383515.db2.gz QAIAJTFRDBBBCB-BOURKTIISA-N 0 0 376.416 4.045 50 30 GIEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2coc4ccccc4c2=O)CC(=O)O3)C1=O ZINC000217626420 527390097 /nfs/dbraw/zinc/39/00/97/527390097.db2.gz SXRPTQSQZCKQQH-AWEZNQCLSA-N 0 0 388.375 4.103 50 30 GIEARN O=c1c(/C=C2/COc3ccccc3C2=O)coc2ccc(Br)cc12 ZINC000033334473 527449314 /nfs/dbraw/zinc/44/93/14/527449314.db2.gz YLFANOQJLUWHKU-XFFZJAGNSA-N 0 0 383.197 4.214 50 30 GIEARN Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1nncc(-c2ccccc2)n1 ZINC000004476782 527547299 /nfs/dbraw/zinc/54/72/99/527547299.db2.gz SPYIXJWGLCHXNV-WSDLNYQXSA-N 0 0 389.850 4.132 50 30 GIEARN O=C(/C=C(\c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000013512737 527592095 /nfs/dbraw/zinc/59/20/95/527592095.db2.gz SNLLJDKZURNOIR-LZYBPNLTSA-N 0 0 389.198 4.265 50 30 GIEARN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033382012 527655124 /nfs/dbraw/zinc/65/51/24/527655124.db2.gz BTGGUBXAFYFMRH-XGICHPGQSA-N 0 0 375.877 4.021 50 30 GIEARN FC(F)(Br)OC(F)(F)C(F)(F)OC(F)(F)Br ZINC000095676587 527661743 /nfs/dbraw/zinc/66/17/43/527661743.db2.gz AZSXACQJCQPNCO-UHFFFAOYSA-N 0 0 391.834 4.096 50 30 GIEARN CCNC(=S)N/N=C/c1ccc(OCCOc2cc(C)ccc2C(C)C)cc1 ZINC000004512026 528276695 /nfs/dbraw/zinc/27/66/95/528276695.db2.gz XDQOTAQGWAZVKR-BUVRLJJBSA-N 0 0 399.560 4.394 50 30 GIEARN CCc1ccc2ncc(C#N)c(N3CCC(C(=O)NCc4ccccc4)CC3)c2c1 ZINC000064473974 535831322 /nfs/dbraw/zinc/83/13/22/535831322.db2.gz CRFSMKOZKVHXJO-UHFFFAOYSA-N 0 0 398.510 4.202 50 30 GIEARN Cc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cc(F)cc(F)c2)c1 ZINC000046126907 570210228 /nfs/dbraw/zinc/21/02/28/570210228.db2.gz NIIFDTRBPYVJHO-UHFFFAOYSA-N 0 0 380.398 4.066 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2C)cc1C ZINC000046131606 570211951 /nfs/dbraw/zinc/21/19/51/570211951.db2.gz WEMNCNNPVTXJJA-FQEVSTJZSA-N 0 0 379.504 4.297 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCCCCC3)c2)c1 ZINC000048365545 570245584 /nfs/dbraw/zinc/24/55/84/570245584.db2.gz GKXMJRMSBRFYCI-UHFFFAOYSA-N 0 0 376.456 4.281 50 30 GIEARN CCOc1ccc(NC(=Nc2cccc(OC)c2)n2sc(C)cc2=N)cc1 ZINC000020176478 570246077 /nfs/dbraw/zinc/24/60/77/570246077.db2.gz PEPDPZXAZYBKKX-UHFFFAOYSA-N 0 0 382.489 4.393 50 30 GIEARN C=CCC(=O)n1c(SCC(=O)c2ccc(OC)cc2F)nc2c1CCCC2 ZINC000000623150 570270004 /nfs/dbraw/zinc/27/00/04/570270004.db2.gz ZDFJGSZILQFNEG-UHFFFAOYSA-N 0 0 388.464 4.101 50 30 GIEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1ccc(Br)cc1 ZINC000003123039 570270846 /nfs/dbraw/zinc/27/08/46/570270846.db2.gz BWHYCVOLLVTQTB-PGNNWUFWSA-N 0 0 385.261 4.134 50 30 GIEARN CCOc1cc(C#N)ccc1OCc1ccccc1I ZINC000004824859 570283329 /nfs/dbraw/zinc/28/33/29/570283329.db2.gz CHDVRUGNPZGJTQ-UHFFFAOYSA-N 0 0 379.197 4.141 50 30 GIEARN C=C(C)CN(CC)C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023323671 570283912 /nfs/dbraw/zinc/28/39/12/570283912.db2.gz VCFHXZVXBZDWMY-UHFFFAOYSA-N 0 0 391.475 4.146 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004821515 570288572 /nfs/dbraw/zinc/28/85/72/570288572.db2.gz FAFGTHVVDLOHCM-GMAHTHKFSA-N 0 0 393.483 4.081 50 30 GIEARN C=CCOc1ccc(CN(C)C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)cc1 ZINC000024626379 570302526 /nfs/dbraw/zinc/30/25/26/570302526.db2.gz FMJUMVQHKPMQQC-AVRDEDQJSA-N 0 0 394.515 4.055 50 30 GIEARN CCOC(=O)[C@H]1CCCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000012932547 570303347 /nfs/dbraw/zinc/30/33/47/570303347.db2.gz IBSKSDZHSBTDEY-CYBMUJFWSA-N 0 0 392.805 4.364 50 30 GIEARN C=CCc1cc(OC)ccc1OCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000024984258 570303763 /nfs/dbraw/zinc/30/37/63/570303763.db2.gz YBQKQSNCZSASPC-UHFFFAOYSA-N 0 0 391.851 4.112 50 30 GIEARN Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000002847347 570308100 /nfs/dbraw/zinc/30/81/00/570308100.db2.gz SKXWNALFYWARSQ-OEAKJJBVSA-N 0 0 384.395 4.162 50 30 GIEARN O=[N+]([O-])c1ccccc1/C=N/[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1[N+](=O)[O-] ZINC000100173226 570320794 /nfs/dbraw/zinc/32/07/94/570320794.db2.gz QKHJFYNPGVPCLF-BUPOENCDSA-N 0 0 380.404 4.352 50 30 GIEARN O=C1C=Cc2ccccc2/C1=N/Oc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000012437227 570325647 /nfs/dbraw/zinc/32/56/47/570325647.db2.gz ZFJLQEXYZCAOLT-ROMGYVFFSA-N 0 0 392.370 4.418 50 30 GIEARN Cc1cccc(C(=O)Nc2nnc(C(F)(F)C(F)(F)C(F)(F)F)s2)c1 ZINC000003016558 570326147 /nfs/dbraw/zinc/32/61/47/570326147.db2.gz FMLWXOCZDSCOQK-UHFFFAOYSA-N 0 0 387.280 4.388 50 30 GIEARN COc1cc(C(=O)N(CCC#N)[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC ZINC000003179738 570331600 /nfs/dbraw/zinc/33/16/00/570331600.db2.gz PRDSDQOJTCTJST-RDJZCZTQSA-N 0 0 388.508 4.283 50 30 GIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1 ZINC000004005488 570354141 /nfs/dbraw/zinc/35/41/41/570354141.db2.gz JMKJZHKMDUEINT-HJOGWXRNSA-N 0 0 377.484 4.394 50 30 GIEARN CCC[C@H]1S/C(=N/N=C/c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000004888937 570356688 /nfs/dbraw/zinc/35/66/88/570356688.db2.gz KVHDHLDKXPQPLZ-NSJLDRRZSA-N 0 0 387.530 4.391 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000004905610 570362409 /nfs/dbraw/zinc/36/24/09/570362409.db2.gz DNMIVGPRKRLQLY-QGZVFWFLSA-N 0 0 386.245 4.247 50 30 GIEARN CC(C)c1ccc(/C=N/N=C2\NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000004199544 570362619 /nfs/dbraw/zinc/36/26/19/570362619.db2.gz FFTYLKGHFSAZKL-YOASITJSSA-N 0 0 394.456 4.312 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004919957 570366104 /nfs/dbraw/zinc/36/61/04/570366104.db2.gz JISOREKFVPURFR-XXBNENTESA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000004919123 570366111 /nfs/dbraw/zinc/36/61/11/570366111.db2.gz OZYVBXCNNLPACD-UNMCSNQZSA-N 0 0 380.440 4.023 50 30 GIEARN CCSc1nc2n(n1)[C@H](c1cccc(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436345 570375302 /nfs/dbraw/zinc/37/53/02/570375302.db2.gz PIHUAROAMLWZBA-QGZVFWFLSA-N 0 0 384.505 4.057 50 30 GIEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3cccs3)CC1=N2 ZINC000004488259 570378354 /nfs/dbraw/zinc/37/83/54/570378354.db2.gz KERRXZUYACANCR-JEOXALJRSA-N 0 0 398.438 4.342 50 30 GIEARN CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)OC)cc2)N(C)C1=O ZINC000004649366 570389433 /nfs/dbraw/zinc/38/94/33/570389433.db2.gz CAMDNARPPKQESK-VJGKAAADSA-N 0 0 396.468 4.106 50 30 GIEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1nc2ccccc2[nH]1)CCC3 ZINC000002818271 570392387 /nfs/dbraw/zinc/39/23/87/570392387.db2.gz VECRMQHEYHLMOL-UHFFFAOYSA-N 0 0 394.525 4.301 50 30 GIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 ZINC000004682478 570393047 /nfs/dbraw/zinc/39/30/47/570393047.db2.gz XEMZSKHGZAEFPQ-NKWDDMGQSA-N 0 0 399.491 4.423 50 30 GIEARN c1csc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000005005628 570394269 /nfs/dbraw/zinc/39/42/69/570394269.db2.gz OZBBQFBEMOJTMW-XSFVSMFZSA-N 0 0 379.493 4.113 50 30 GIEARN Brc1cc2c(cc1C=NN=c1[nH]c3ccccc3s1)OCO2 ZINC000004713423 570397131 /nfs/dbraw/zinc/39/71/31/570397131.db2.gz JAMQSPIXOWEZEX-REZTVBANSA-N 0 0 376.235 4.234 50 30 GIEARN COc1ccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)c(OC)c1 ZINC000005020303 570397826 /nfs/dbraw/zinc/39/78/26/570397826.db2.gz XRZZTKXIMREIJN-WYMPLXKRSA-N 0 0 386.411 4.141 50 30 GIEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000004814183 570407886 /nfs/dbraw/zinc/40/78/86/570407886.db2.gz DNBITBJQVUBNAE-XCLFUZPHSA-N 0 0 394.837 4.486 50 30 GIEARN COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000024976631 570412378 /nfs/dbraw/zinc/41/23/78/570412378.db2.gz NLUSAFHXZBYNRO-CYBMUJFWSA-N 0 0 384.501 4.333 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1OC ZINC000004915397 570417782 /nfs/dbraw/zinc/41/77/82/570417782.db2.gz QMTATCFESREEKW-QZTJIDSGSA-N 0 0 391.467 4.017 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)cc1OC ZINC000004915368 570417784 /nfs/dbraw/zinc/41/77/84/570417784.db2.gz NKPUSJACIYBNEY-MSOLQXFVSA-N 0 0 391.467 4.017 50 30 GIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000004915464 570417906 /nfs/dbraw/zinc/41/79/06/570417906.db2.gz IOHJMDAHANSTHT-LPHOPBHVSA-N 0 0 379.431 4.229 50 30 GIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)c1 ZINC000004916184 570418041 /nfs/dbraw/zinc/41/80/41/570418041.db2.gz ACCQNCZBWFORHU-LPHOPBHVSA-N 0 0 391.467 4.017 50 30 GIEARN O=[N+]([O-])c1ccc(N=NC2CCC(N=Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004955554 570419920 /nfs/dbraw/zinc/41/99/20/570419920.db2.gz OCLSQKOXLYOFIB-UHFFFAOYSA-N 0 0 382.380 4.313 50 30 GIEARN O=C1C[C@@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000004986910 570421523 /nfs/dbraw/zinc/42/15/23/570421523.db2.gz CJTBJENOFPITGG-ZFWWWQNUSA-N 0 0 395.842 4.073 50 30 GIEARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCC#N)cc1Cl ZINC000006456478 570426153 /nfs/dbraw/zinc/42/61/53/570426153.db2.gz QSOAJBKICJHHPH-GXDHUFHOSA-N 0 0 389.889 4.411 50 30 GIEARN Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc21 ZINC000005072233 570428036 /nfs/dbraw/zinc/42/80/36/570428036.db2.gz QZBAXRCEGXLXOR-DHRITJCHSA-N 0 0 380.411 4.325 50 30 GIEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)c1 ZINC000239119565 570428278 /nfs/dbraw/zinc/42/82/78/570428278.db2.gz IVJSVVUOPQTKMG-UHFFFAOYSA-N 0 0 396.516 4.431 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccco2)C1=O ZINC000005074095 570428392 /nfs/dbraw/zinc/42/83/92/570428392.db2.gz DPCNTTXFDVOJQT-UVTDQMKNSA-N 0 0 375.833 4.477 50 30 GIEARN Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253531307 570445553 /nfs/dbraw/zinc/44/55/53/570445553.db2.gz IMHWUDTYEQIITA-UIELMHGGSA-N 0 0 380.532 4.306 50 30 GIEARN C=CCc1c(C(=O)OC)ccc(Br)c1OCc1c(C)noc1C ZINC000225654355 570457265 /nfs/dbraw/zinc/45/72/65/570457265.db2.gz HZIQIDFUZDBIJJ-UHFFFAOYSA-N 0 0 380.238 4.148 50 30 GIEARN COc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1CSc1ccccn1 ZINC000006527525 570465846 /nfs/dbraw/zinc/46/58/46/570465846.db2.gz JICLOXHYLHSSDS-VQHVLOKHSA-N 0 0 379.485 4.321 50 30 GIEARN COc1cc(C=NNc2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000252622413 570478868 /nfs/dbraw/zinc/47/88/68/570478868.db2.gz NUUUXIIEYXLQHH-UHFFFAOYSA-N 0 0 396.468 4.217 50 30 GIEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccccc1 ZINC000006446046 570480224 /nfs/dbraw/zinc/48/02/24/570480224.db2.gz HHQFLILYNZGKIG-PXLXIMEGSA-N 0 0 375.453 4.226 50 30 GIEARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3(C#N)CCCC3)c2n1 ZINC000005172149 570491626 /nfs/dbraw/zinc/49/16/26/570491626.db2.gz PZLVIXIKNSROPA-UHFFFAOYSA-N 0 0 378.259 4.181 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000006739908 570491656 /nfs/dbraw/zinc/49/16/56/570491656.db2.gz DRFULZKMGXJMFX-FQEVSTJZSA-N 0 0 393.483 4.209 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc2ccccc21 ZINC000006786367 570493248 /nfs/dbraw/zinc/49/32/48/570493248.db2.gz MITJNOJDODLYBS-NRFANRHFSA-N 0 0 387.435 4.065 50 30 GIEARN O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1 ZINC000006813498 570495060 /nfs/dbraw/zinc/49/50/60/570495060.db2.gz VEJKOEOFZITYLM-SFHVURJKSA-N 0 0 394.427 4.061 50 30 GIEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 ZINC000006819513 570495409 /nfs/dbraw/zinc/49/54/09/570495409.db2.gz BPDGWADBFUGIRH-WMLDXEAASA-N 0 0 381.859 4.353 50 30 GIEARN Cn1c2ccccc2nc1C1=C(N)N(c2ccc(Oc3ccccc3)cc2)CC1=O ZINC000005182928 570496945 /nfs/dbraw/zinc/49/69/45/570496945.db2.gz SEOIMVZUKXVUFN-UHFFFAOYSA-N 0 0 396.450 4.082 50 30 GIEARN C[C@H](ON=C(N)c1ccsc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000072305375 570518171 /nfs/dbraw/zinc/51/81/71/570518171.db2.gz GQCYMMHLXKUXRY-VIFPVBQESA-N 0 0 382.367 4.215 50 30 GIEARN CCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398606 570530930 /nfs/dbraw/zinc/53/09/30/570530930.db2.gz PDSPMQFEKFILPM-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN CCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008398591 570530989 /nfs/dbraw/zinc/53/09/89/570530989.db2.gz HPOUKKLFAKYJQU-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 ZINC000009013383 570546488 /nfs/dbraw/zinc/54/64/88/570546488.db2.gz YLSIJWSBEYKASE-LJQANCHMSA-N 0 0 383.419 4.213 50 30 GIEARN C=CCOC(=O)c1c2cc3ccccc3cn2c2c1C(=O)c1ccccc1C2=O ZINC000003635770 570572039 /nfs/dbraw/zinc/57/20/39/570572039.db2.gz YQXHCUSIKMJHBK-UHFFFAOYSA-N 0 0 381.387 4.211 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)n1 ZINC000004333801 570575956 /nfs/dbraw/zinc/57/59/56/570575956.db2.gz VBQBBPQKVDMVDN-SFHVURJKSA-N 0 0 376.437 4.234 50 30 GIEARN N#CCCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000225518411 570583123 /nfs/dbraw/zinc/58/31/23/570583123.db2.gz ZKOORKBOGWUENK-UHFFFAOYSA-N 0 0 390.462 4.047 50 30 GIEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000005408426 570586014 /nfs/dbraw/zinc/58/60/14/570586014.db2.gz NUBQUSBUAMLXJD-XDHOZWIPSA-N 0 0 378.472 4.061 50 30 GIEARN CN(CC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)c1ccc(C#N)cn1 ZINC000062283157 570603737 /nfs/dbraw/zinc/60/37/37/570603737.db2.gz AIAXILDKTPNTOV-UHFFFAOYSA-N 0 0 384.867 4.003 50 30 GIEARN COc1cccc2cc(C(=O)/C=C/c3cccc(Br)c3)c(=O)oc21 ZINC000004598219 570629664 /nfs/dbraw/zinc/62/96/64/570629664.db2.gz JQNPLBULEZCTGD-CMDGGOBGSA-N 0 0 385.213 4.460 50 30 GIEARN NC(=NOCc1ccc(F)cc1Cl)c1cccc(OCc2cccnc2)c1 ZINC000060320277 570630575 /nfs/dbraw/zinc/63/05/75/570630575.db2.gz PRRYSYNWXFTYBM-UHFFFAOYSA-N 0 0 385.826 4.290 50 30 GIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCCO2 ZINC000012406410 570653462 /nfs/dbraw/zinc/65/34/62/570653462.db2.gz YTYSUUPFMNVOLC-SXCYCHHDSA-N 0 0 392.455 4.220 50 30 GIEARN N#Cc1c(N)c(C(=O)c2ccccc2)n(-c2ccccc2)c1CN1CCCCC1 ZINC000005589557 570661937 /nfs/dbraw/zinc/66/19/37/570661937.db2.gz FTBZVHUVZKOBNZ-UHFFFAOYSA-N 0 0 384.483 4.148 50 30 GIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@H](c3cccc(F)c3)C12 ZINC000012409830 570663065 /nfs/dbraw/zinc/66/30/65/570663065.db2.gz NJACRGHMINFQHK-APPDUMDISA-N 0 0 382.420 4.250 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccs3)C2)cc1 ZINC000012408751 570663153 /nfs/dbraw/zinc/66/31/53/570663153.db2.gz QYPXXAOEEYUZGU-XIKOKIGWSA-N 0 0 394.456 4.119 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccs3)C2)cc1 ZINC000012408747 570663233 /nfs/dbraw/zinc/66/32/33/570663233.db2.gz QYPXXAOEEYUZGU-KZULUSFZSA-N 0 0 394.456 4.119 50 30 GIEARN CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CCC#N ZINC000012627256 570691875 /nfs/dbraw/zinc/69/18/75/570691875.db2.gz KAIMAHMWVRTOHS-SFHVURJKSA-N 0 0 378.501 4.174 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000006900394 570695025 /nfs/dbraw/zinc/69/50/25/570695025.db2.gz KBRAOLUICKMLGD-CYBMUJFWSA-N 0 0 399.903 4.355 50 30 GIEARN COc1ccc2c(c1)OCC/C2=N/OC(=O)c1cc(SC)ccc1Cl ZINC000004413741 570749421 /nfs/dbraw/zinc/74/94/21/570749421.db2.gz UXQVEQTXZZRTJJ-SILNSSARSA-N 0 0 377.849 4.414 50 30 GIEARN 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Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1ccccc1C#N ZINC000022474352 208841561 /nfs/dbraw/zinc/84/15/61/208841561.db2.gz WCLSVPNNRCQRBM-UHFFFAOYSA-N 0 0 382.416 4.398 50 30 GIEARN S=C1N=NC(c2ccccn2)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000006061346 220917662 /nfs/dbraw/zinc/91/76/62/220917662.db2.gz XPLSOTIHRVTZHW-OEAKJJBVSA-N 0 0 387.468 4.090 50 30 GIEARN C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O ZINC000096901442 209016541 /nfs/dbraw/zinc/01/65/41/209016541.db2.gz IQWVFAXBJQKUDH-TXCQZRSTSA-N 0 0 376.493 4.158 50 30 GIEARN Cc1c(C#N)c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)sc1C(=O)OC(C)C ZINC000097499388 209015288 /nfs/dbraw/zinc/01/52/88/209015288.db2.gz ZNCLOVWGTHGECG-TWGQIWQCSA-N 0 0 399.428 4.054 50 30 GIEARN Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccccc32)c(=O)c1C#N ZINC000008391697 221039799 /nfs/dbraw/zinc/03/97/99/221039799.db2.gz MBKFARZUWYPCPT-UHFFFAOYSA-N 0 0 387.464 4.166 50 30 GIEARN COc1ccc(C)cc1C(=O)/C=C\c1c(C)nn2c1nccc2C(F)(F)F ZINC000096993405 533378441 /nfs/dbraw/zinc/37/84/41/533378441.db2.gz WWXOIFZKRIQXFH-WAYWQWQTSA-N 0 0 375.350 4.270 50 30 GIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000064473508 136156774 /nfs/dbraw/zinc/15/67/74/136156774.db2.gz HFOYWKXTSMDKRE-UHFFFAOYSA-N 0 0 392.409 4.240 50 30 GIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000064473699 136156787 /nfs/dbraw/zinc/15/67/87/136156787.db2.gz KRTYKBHFQFBTKX-UHFFFAOYSA-N 0 0 392.409 4.240 50 30 GIEARN N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000096346664 136186733 /nfs/dbraw/zinc/18/67/33/136186733.db2.gz VCFQBHMMOZGFNF-PMACEKPBSA-N 0 0 388.446 4.283 50 30 GIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000257357757 209081156 /nfs/dbraw/zinc/08/11/56/209081156.db2.gz PTARAGMFTGDAST-AUXJCONYSA-N 0 0 390.520 4.024 50 30 GIEARN COC(=O)[C@@H](NCC(=O)Nc1cc(C)cc(C)c1)c1ccc(OC)c(Cl)c1 ZINC000328593639 534277289 /nfs/dbraw/zinc/27/72/89/534277289.db2.gz RVOBMAMIFRLYIR-IBGZPJMESA-N 0 0 390.867 4.057 50 30 GIEARN CC(=O)[C@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN12 ZINC000036046355 518219606 /nfs/dbraw/zinc/21/96/06/518219606.db2.gz KNONFVJMISTVFL-PCCBWWKXSA-N 0 0 375.378 4.081 50 30 GIEARN C#CCn1c2cc(C)c(C)cc2sc1=NC(=O)CSc1ccc(F)cc1 ZINC000101074352 518342792 /nfs/dbraw/zinc/34/27/92/518342792.db2.gz QXCBVVYYAKXPMY-XDOYNYLZSA-N 0 0 384.501 4.312 50 30 GIEARN C/C(=N\NC(N)=S)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253499392 518463381 /nfs/dbraw/zinc/46/33/81/518463381.db2.gz GAYVUWZJMHOLMM-LJIUYHPSSA-N 0 0 391.625 4.215 50 30 GIEARN C/C(=N\OCC(=O)N=[S@@](C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000004361617 518470604 /nfs/dbraw/zinc/47/06/04/518470604.db2.gz OGKKUVPWFVWFBP-SUUHDTSPSA-N 0 0 378.881 4.073 50 30 GIEARN C=C(C)COc1ccccc1NC(=O)N1CCC(OCc2cccnc2)CC1 ZINC000096139982 518622534 /nfs/dbraw/zinc/62/25/34/518622534.db2.gz GLOQEOAPRFGRJI-UHFFFAOYSA-N 0 0 381.476 4.250 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccncc1 ZINC000016807856 518640160 /nfs/dbraw/zinc/64/01/60/518640160.db2.gz WPRIAZCGPUEWGY-UHFFFAOYSA-N 0 0 399.907 4.300 50 30 GIEARN C=CCCC(=O)NCc1nnc(SCc2ccccc2Cl)n1CC(C)C ZINC000011815806 518696902 /nfs/dbraw/zinc/69/69/02/518696902.db2.gz TXWMRWKHIHLJPA-UHFFFAOYSA-N 0 0 392.956 4.462 50 30 GIEARN C=CCN(C(=O)/C=C\c1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 ZINC000096536999 518729963 /nfs/dbraw/zinc/72/99/63/518729963.db2.gz ZDFDBKKARLIISX-NTMALXAHSA-N 0 0 382.485 4.026 50 30 GIEARN C=CCN1C(=O)N(C2CCCCC2)[C@@H](N(O)C(=O)NC2CCCCC2)C1(C)C ZINC000013763594 518837063 /nfs/dbraw/zinc/83/70/63/518837063.db2.gz VOESJHBHTXGNHH-SFHVURJKSA-N 0 0 392.544 4.081 50 30 GIEARN C=CCNC(=O)Nc1ccccc1N1CCCN(Cc2ccccc2Cl)C1=O ZINC000034737131 518912419 /nfs/dbraw/zinc/91/24/19/518912419.db2.gz UWUJMGFVUWSOOI-UHFFFAOYSA-N 0 0 398.894 4.480 50 30 GIEARN C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1 ZINC000037541723 518934332 /nfs/dbraw/zinc/93/43/32/518934332.db2.gz BRERSPKPPKWBAU-UHFFFAOYSA-N 0 0 375.291 4.429 50 30 GIEARN C=CCOc1ccc(-c2nc(C(=O)NCc3cccc(F)c3)cs2)cc1OC ZINC000034712249 519006893 /nfs/dbraw/zinc/00/68/93/519006893.db2.gz MZEDXOSILSDMQR-UHFFFAOYSA-N 0 0 398.459 4.453 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000007062371 519015031 /nfs/dbraw/zinc/01/50/31/519015031.db2.gz YVSLZXVADDNCPS-BOPFTXTBSA-N 0 0 384.229 4.358 50 30 GIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC)[C@H]2c2ccccc2)cc1 ZINC000016741475 519018013 /nfs/dbraw/zinc/01/80/13/519018013.db2.gz NQBBTTKQLYFSBC-FQEVSTJZSA-N 0 0 377.440 4.240 50 30 GIEARN C=CCOc1ccc(C(=O)N(Cc2c(C)nn(C)c2C)c2ccccc2)cc1 ZINC000046086399 519024560 /nfs/dbraw/zinc/02/45/60/519024560.db2.gz LQYCUVAUROSVEW-UHFFFAOYSA-N 0 0 375.472 4.449 50 30 GIEARN C=CCOc1ccc(CN(C)C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000036874525 519029294 /nfs/dbraw/zinc/02/92/94/519029294.db2.gz UVSLRQXSETXTKH-HSZRJFAPSA-N 0 0 390.483 4.174 50 30 GIEARN C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccncc2)cc1OC ZINC000054702548 519049289 /nfs/dbraw/zinc/04/92/89/519049289.db2.gz YYOGJERXSWNXAS-QFIPXVFZSA-N 0 0 387.439 4.426 50 30 GIEARN C=CCSc1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1C ZINC000002153847 519084002 /nfs/dbraw/zinc/08/40/02/519084002.db2.gz BDJITWCRAXMYTB-UHFFFAOYSA-N 0 0 385.512 4.442 50 30 GIEARN C=CCc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)cc(OC)c1OC ZINC000012557926 519129290 /nfs/dbraw/zinc/12/92/90/519129290.db2.gz SGEMAWTZQPXXAC-UHFFFAOYSA-N 0 0 381.457 4.203 50 30 GIEARN C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=N)NC1=O ZINC000005101984 519144725 /nfs/dbraw/zinc/14/47/25/519144725.db2.gz HNONBEOAFDXOTO-RGEXLXHISA-N 0 0 380.469 4.012 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1C ZINC000003351310 519170273 /nfs/dbraw/zinc/17/02/73/519170273.db2.gz DGHMILOFHUGZHC-UHFFFAOYSA-N 0 0 397.456 4.045 50 30 GIEARN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1cccc(C)c1 ZINC000014994365 519182618 /nfs/dbraw/zinc/18/26/18/519182618.db2.gz WCELVYPRVGIKCT-UHFFFAOYSA-N 0 0 396.491 4.134 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(C(C)(C)C)no2)nnc1-c1ccccc1 ZINC000008429307 519210395 /nfs/dbraw/zinc/21/03/95/519210395.db2.gz AWYLGJHTOGGQJA-UHFFFAOYSA-N 0 0 397.504 4.147 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccc(Cl)cc2c1=O ZINC000005449906 519224167 /nfs/dbraw/zinc/22/41/67/519224167.db2.gz LKGJRLKETBABKB-UHFFFAOYSA-N 0 0 399.903 4.275 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(OC)cc1 ZINC000005478742 519231853 /nfs/dbraw/zinc/23/18/53/519231853.db2.gz KBKSNLYRIOYQPX-UHFFFAOYSA-N 0 0 383.448 4.254 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(F)cc1 ZINC000002324567 519232036 /nfs/dbraw/zinc/23/20/36/519232036.db2.gz SERSBWWBSFVDAJ-UHFFFAOYSA-N 0 0 383.448 4.254 50 30 GIEARN CC(C)CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 ZINC000017085176 519719448 /nfs/dbraw/zinc/71/94/48/519719448.db2.gz VGEIECUJPJTYNR-QCLNCQLRSA-N 0 0 381.501 4.303 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000006590757 519828964 /nfs/dbraw/zinc/82/89/64/519828964.db2.gz DQHZUJCLJUIRHI-SGQUHAKNSA-N 0 0 390.892 4.166 50 30 GIEARN CC(C)c1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1 ZINC000095469539 519834025 /nfs/dbraw/zinc/83/40/25/519834025.db2.gz VQNGROYUYJHQIH-UHFFFAOYSA-N 0 0 387.468 4.044 50 30 GIEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000002229670 520023704 /nfs/dbraw/zinc/02/37/04/520023704.db2.gz PNFSQQOLVWEICD-UHFFFAOYSA-N 0 0 380.558 4.237 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OC ZINC000101284982 520060241 /nfs/dbraw/zinc/06/02/41/520060241.db2.gz HAZLYGGRGSYKFK-IBGZPJMESA-N 0 0 384.480 4.089 50 30 GIEARN CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CCC3 ZINC000002283643 520066506 /nfs/dbraw/zinc/06/65/06/520066506.db2.gz YWRJVEYPAXUTLC-UHFFFAOYSA-N 0 0 376.551 4.194 50 30 GIEARN CCCCCCCc1c([O-])nc(SCC[NH+](C)C)n(-c2ccccc2)c1=O ZINC000097951477 520070167 /nfs/dbraw/zinc/07/01/67/520070167.db2.gz AGFLWWHQVPNOBV-UHFFFAOYSA-N 0 0 389.565 4.105 50 30 GIEARN CCOC(=O)C(=NNc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1 ZINC000013468308 520395589 /nfs/dbraw/zinc/39/55/89/520395589.db2.gz BOXGEERGDBWEHW-MOHJPFBDSA-N 0 0 396.472 4.275 50 30 GIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000019300829 520506720 /nfs/dbraw/zinc/50/67/20/520506720.db2.gz CDNQCJQVSRUXHI-IBGZPJMESA-N 0 0 383.488 4.252 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000102859023 520556489 /nfs/dbraw/zinc/55/64/89/520556489.db2.gz OTNAOPIMEUTNAB-MRJHHRETSA-N 0 0 392.499 4.283 50 30 GIEARN CCOc1c(Br)cc(/C=C\C(=O)c2ccc(O)cc2)cc1OC ZINC000096766231 520590713 /nfs/dbraw/zinc/59/07/13/520590713.db2.gz RMFICKUZFIFVBU-WTKPLQERSA-N 0 0 377.234 4.458 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000022611827 520817659 /nfs/dbraw/zinc/81/76/59/520817659.db2.gz JKPTUNMJXIONQF-HXUWFJFHSA-N 0 0 380.488 4.171 50 30 GIEARN CCOc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1 ZINC000013711842 520858242 /nfs/dbraw/zinc/85/82/42/520858242.db2.gz BVJDPRDDUBDGGN-ISWCOFGISA-N 0 0 377.488 4.242 50 30 GIEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH]c(=S)[nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000057364364 520922166 /nfs/dbraw/zinc/92/21/66/520922166.db2.gz YEGMVVQALKDYCY-INIZCTEOSA-N 0 0 396.516 4.255 50 30 GIEARN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2ccsc2)cc1 ZINC000046088331 521027313 /nfs/dbraw/zinc/02/73/13/521027313.db2.gz DXGGTAMSYRWNJJ-FQEVSTJZSA-N 0 0 383.517 4.231 50 30 GIEARN CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000022662922 521407350 /nfs/dbraw/zinc/40/73/50/521407350.db2.gz TVLWBJGKMVHTTB-OAQYLSRUSA-N 0 0 382.485 4.224 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N/C1CCCCCC1 ZINC000103459130 521529748 /nfs/dbraw/zinc/52/97/48/521529748.db2.gz SWKCBMPQBRLMNF-QCLNCQLRSA-N 0 0 387.549 4.366 50 30 GIEARN CCOC(=O)c1nc(NC(=O)CCc2ccc(Cl)s2)sc1C(C)=O ZINC000328600158 521598446 /nfs/dbraw/zinc/59/84/46/521598446.db2.gz WERNBGRIRXIMMA-UHFFFAOYSA-N 0 0 386.882 4.458 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccsc1 ZINC000002754506 521709886 /nfs/dbraw/zinc/70/98/86/521709886.db2.gz XYOJOPIZDZSDRO-KRWDZBQOSA-N 0 0 377.531 4.012 50 30 GIEARN COc1c2c(cc3c1C=C(C(=O)c1ccc(C(C)C)cc1)N(C)CC3)OCO2 ZINC000079193734 521883933 /nfs/dbraw/zinc/88/39/33/521883933.db2.gz XUWKDBNNUCKYQY-UHFFFAOYSA-N 0 0 379.456 4.259 50 30 GIEARN COC(=O)c1ccc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)cc1 ZINC000017167600 521940326 /nfs/dbraw/zinc/94/03/26/521940326.db2.gz SJHVIOZFDNDZJU-UXTWZOPHSA-N 0 0 391.452 4.188 50 30 GIEARN COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OCC#N ZINC000015008439 521956898 /nfs/dbraw/zinc/95/68/98/521956898.db2.gz IJWOCQQXFCLBFD-LDADJPATSA-N 0 0 396.493 4.312 50 30 GIEARN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000033527593 521975635 /nfs/dbraw/zinc/97/56/35/521975635.db2.gz NZORMDXWJGYPCK-LCYFTJDESA-N 0 0 399.443 4.232 50 30 GIEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000102615922 522217428 /nfs/dbraw/zinc/21/74/28/522217428.db2.gz DOLYOMVQACXDAE-MOBKVPTQSA-N 0 0 398.462 4.379 50 30 GIEARN CNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Cl)c2)c1=O ZINC000097474777 522578220 /nfs/dbraw/zinc/57/82/20/522578220.db2.gz YOCSHBNMIBWJQW-YVMONPNESA-N 0 0 378.653 4.401 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000036611502 522779889 /nfs/dbraw/zinc/77/98/89/522779889.db2.gz IZBSYSATEIYJAO-UFWORHAWSA-N 0 0 397.287 4.490 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019925459 522877566 /nfs/dbraw/zinc/87/75/66/522877566.db2.gz OQPZXJDTPYMOSO-QGZVFWFLSA-N 0 0 393.405 4.482 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019856864 522885676 /nfs/dbraw/zinc/88/56/76/522885676.db2.gz MUBGRJCTQFIUBZ-JLTOFOAXSA-N 0 0 397.858 4.468 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000005045128 523284936 /nfs/dbraw/zinc/28/49/36/523284936.db2.gz ZMXSNRFRMFHTFV-IBGZPJMESA-N 0 0 399.512 4.486 50 30 GIEARN COc1ccc(-n2c(SC[C@@H](C)C#N)nnc2-c2ccccc2)cc1OC ZINC000007035299 523321812 /nfs/dbraw/zinc/32/18/12/523321812.db2.gz PUYPBSQNONZNDC-AWEZNQCLSA-N 0 0 380.473 4.203 50 30 GIEARN COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000100007120 523382428 /nfs/dbraw/zinc/38/24/28/523382428.db2.gz ZMGUKFHHNQMKJI-CIOHCNBKSA-N 0 0 396.439 4.459 50 30 biogenic,in-vitro GIEARN COc1ccc(/C=C\C(=O)c2c(C)nc3n(C)c4ccccc4n32)cc1OC ZINC000097359908 523432972 /nfs/dbraw/zinc/43/29/72/523432972.db2.gz HKAZRWQDYLSMLU-LUAWRHEFSA-N 0 0 375.428 4.048 50 30 GIEARN COc1ccc(/C=N/N2CCOCC2)cc1CSc1nc2ccccc2s1 ZINC000005024453 523442120 /nfs/dbraw/zinc/44/21/20/523442120.db2.gz PNJDQOGHNQWNLH-FYJGNVAPSA-N 0 0 399.541 4.263 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1OC ZINC000004832389 523539067 /nfs/dbraw/zinc/53/90/67/523539067.db2.gz GNOHBNYMPNVJLC-HWKANZROSA-N 0 0 391.217 4.091 50 30 GIEARN COc1ccc(C(=O)/C=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)cc1 ZINC000004993644 523541981 /nfs/dbraw/zinc/54/19/81/523541981.db2.gz UIVNKAZWPHHKEL-VZUCSPMQSA-N 0 0 378.380 4.412 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O ZINC000002372729 523605981 /nfs/dbraw/zinc/60/59/81/523605981.db2.gz RBGDPVLILJKLTM-SPKHDRPZSA-N 0 0 396.472 4.147 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100263738 523699956 /nfs/dbraw/zinc/69/99/56/523699956.db2.gz FULNHLGSXPDGAA-CYNURGJPSA-N 0 0 391.855 4.069 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1ccc(Cl)cc1 ZINC000101663383 523725476 /nfs/dbraw/zinc/72/54/76/523725476.db2.gz PBIWTBKHSZSYLA-OBAOGOGRSA-N 0 0 391.855 4.069 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100261585 523725527 /nfs/dbraw/zinc/72/55/27/523725527.db2.gz UYTAGJQYOAMOAA-CYNURGJPSA-N 0 0 391.855 4.069 50 30 GIEARN CCc1ccc(-n2nnnc2CCN=Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004370932 523870659 /nfs/dbraw/zinc/87/06/59/523870659.db2.gz DCFJDBZVVOOEIJ-KEBDBYFISA-N 0 0 375.263 4.172 50 30 GIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2c(Cl)cccc2Cl)cc1 ZINC000096765451 523994265 /nfs/dbraw/zinc/99/42/65/523994265.db2.gz WJVQXLWZSCWUQE-KHPPLWFESA-N 0 0 378.255 4.357 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc2ncsc2c1 ZINC000033444724 524034260 /nfs/dbraw/zinc/03/42/60/524034260.db2.gz FIBGNVFFLPTAPO-JAIQZWGSSA-N 0 0 392.480 4.334 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCC[C@H](C)C2)C1=O ZINC000016810040 524322271 /nfs/dbraw/zinc/32/22/71/524322271.db2.gz UTLQYUVEBNXDPN-RANIVTSPSA-N 0 0 379.456 4.249 50 30 GIEARN Cc1cccc(CN2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)c1 ZINC000020028627 524397789 /nfs/dbraw/zinc/39/77/89/524397789.db2.gz SBMZWWZNIORPTG-CMDGGOBGSA-N 0 0 386.442 4.111 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2c(F)cccc2Cl)c1 ZINC000084083782 524407958 /nfs/dbraw/zinc/40/79/58/524407958.db2.gz VCCLODDSLWHGCI-UHFFFAOYSA-N 0 0 387.886 4.475 50 30 GIEARN Cc1cc(C)n(-c2nc(N=NCc3ccc(C)cc3)nc(Nc3ccccc3)n2)n1 ZINC000004457705 524498370 /nfs/dbraw/zinc/49/83/70/524498370.db2.gz IYQLAMIKDXTRMQ-OEAKJJBVSA-N 0 0 398.474 4.172 50 30 GIEARN O=C(/C=C\c1ccc(-n2ccnc2)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000096991246 534792355 /nfs/dbraw/zinc/79/23/55/534792355.db2.gz SFTIVQOLORFPPE-CLFYSBASSA-N 0 0 375.403 4.034 50 30 GIEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccsc2)n1 ZINC000013282216 524580937 /nfs/dbraw/zinc/58/09/37/524580937.db2.gz ODTVTKNTHDWUIX-LJQANCHMSA-N 0 0 379.485 4.058 50 30 GIEARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000003247189 525146428 /nfs/dbraw/zinc/14/64/28/525146428.db2.gz NQVMSGIXYMIHOJ-OXVFXORMSA-N 0 0 397.474 4.402 50 30 GIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2ccco2)C4=O)cc1 ZINC000253414233 525404772 /nfs/dbraw/zinc/40/47/72/525404772.db2.gz WVZVPOQLIAJSRX-HPKGMJOESA-N 0 0 388.375 4.345 50 30 GIEARN Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000013161227 525534220 /nfs/dbraw/zinc/53/42/20/525534220.db2.gz XJXQENHHUSAITR-FQEVSTJZSA-N 0 0 391.446 4.136 50 30 GIEARN C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000030007091 525660482 /nfs/dbraw/zinc/66/04/82/525660482.db2.gz FYVZFPDTGDIKKU-SFHVURJKSA-N 0 0 377.488 4.409 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102801919 525788345 /nfs/dbraw/zinc/78/83/45/525788345.db2.gz SZNVGPGSHYYPOI-GROYHEBESA-N 0 0 376.437 4.078 50 30 GIEARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000011126195 525972296 /nfs/dbraw/zinc/97/22/96/525972296.db2.gz YFOBZVIOSZQGFA-UHFFFAOYSA-N 0 0 396.830 4.498 50 30 GIEARN Cc1c2ccccc2oc1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000003365325 525983621 /nfs/dbraw/zinc/98/36/21/525983621.db2.gz VQAMGASSAJCSKX-UHFFFAOYSA-N 0 0 390.439 4.462 50 30 GIEARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000022133002 526008093 /nfs/dbraw/zinc/00/80/93/526008093.db2.gz LMVGBEZTGLFGQT-HTMJNSLASA-N 0 0 394.500 4.426 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1 ZINC000017160213 526025785 /nfs/dbraw/zinc/02/57/85/526025785.db2.gz YYINSBZDQBSPPT-NRFANRHFSA-N 0 0 384.435 4.169 50 30 GIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000102802282 526137922 /nfs/dbraw/zinc/13/79/22/526137922.db2.gz FJAFAAFSKGJMEX-JBCNATCCSA-N 0 0 385.419 4.322 50 30 GIEARN COc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 ZINC000018023547 526142154 /nfs/dbraw/zinc/14/21/54/526142154.db2.gz VSNIOEPELDZKQV-UHFFFAOYSA-N 0 0 397.887 4.189 50 30 GIEARN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000252394279 526324424 /nfs/dbraw/zinc/32/44/24/526324424.db2.gz DMLFBPNQGNSCHZ-UHFFFAOYSA-N 0 0 383.290 4.398 50 30 GIEARN Oc1ccccc1CN=Nc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000004311617 526369403 /nfs/dbraw/zinc/36/94/03/526369403.db2.gz JMWJUEZRVSYARP-ZVHZXABRSA-N 0 0 394.438 4.179 50 30 GIEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000002221885 526416207 /nfs/dbraw/zinc/41/62/07/526416207.db2.gz IGFFAAXTBVFRIV-UHFFFAOYSA-N 0 0 384.844 4.343 50 30 GIEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000019863720 526459420 /nfs/dbraw/zinc/45/94/20/526459420.db2.gz NHNZOBIYJCPFDL-UHFFFAOYSA-N 0 0 394.327 4.460 50 30 GIEARN N#CCN(C(=O)COC(=O)/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000096488370 526468947 /nfs/dbraw/zinc/46/89/47/526468947.db2.gz XCOUEMSDRRUYKD-CLFYSBASSA-N 0 0 389.238 4.107 50 30 GIEARN N#CCc1ccc(OCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007814574 526485608 /nfs/dbraw/zinc/48/56/08/526485608.db2.gz LMWKALWMFCWXQH-UHFFFAOYSA-N 0 0 380.831 4.361 50 30 GIEARN Nc1c(-c2nc(-c3ccccc3)cs2)c(O)cn1N=Cc1cccc(O)c1 ZINC000102721669 526838421 /nfs/dbraw/zinc/83/84/21/526838421.db2.gz PXSGPUABEDANLH-LKPRLWDLSA-N 0 0 376.441 4.112 50 30 GIEARN O=C(COc1c(F)c(F)c(F)c(F)c1F)Nc1cccc(C(F)(F)F)c1 ZINC000101337111 526944184 /nfs/dbraw/zinc/94/41/84/526944184.db2.gz HTXOOAUDXOVZHA-UHFFFAOYSA-N 0 0 385.210 4.418 50 30 GIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102802600 526955950 /nfs/dbraw/zinc/95/59/50/526955950.db2.gz XUYAADNIPQGMBJ-JBCNATCCSA-N 0 0 387.410 4.448 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102799723 526956604 /nfs/dbraw/zinc/95/66/04/526956604.db2.gz QRFPOYGDTLILPP-NHFXJNLRSA-N 0 0 389.382 4.158 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccco2)sc1C ZINC000017179922 526961037 /nfs/dbraw/zinc/96/10/37/526961037.db2.gz LSFZLAJGCVXMTI-QGZVFWFLSA-N 0 0 394.452 4.444 50 30 GIEARN O=C1CC(c2ccccc2)CC(=O)C1=CNc1cc(Br)ccc1O ZINC000100641758 526961420 /nfs/dbraw/zinc/96/14/20/526961420.db2.gz HHPGZLNSXHCFQY-UHFFFAOYSA-N 0 0 386.245 4.166 50 30 GIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(O)c(Br)c1 ZINC000059105724 527042266 /nfs/dbraw/zinc/04/22/66/527042266.db2.gz ILHYXWYVAKIIMK-RIYZIHGNSA-N 0 0 393.237 4.185 50 30 GIEARN C=CCC1(CC=C)CCCN1C(=O)[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000015067232 527061392 /nfs/dbraw/zinc/06/13/92/527061392.db2.gz SYZVKLYZRMUSPP-QFIPXVFZSA-N 0 0 394.559 4.371 50 30 GIEARN O=S(=O)(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000005774688 527203256 /nfs/dbraw/zinc/20/32/56/527203256.db2.gz DWGXPXVITKAAIZ-KGENOOAVSA-N 0 0 386.860 4.445 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000024830553 527326459 /nfs/dbraw/zinc/32/64/59/527326459.db2.gz QYMQRWBXQGPKDW-OAQYLSRUSA-N 0 0 398.462 4.170 50 30 GIEARN C=CCn1c(Cc2ccccc2)nnc1SCCOc1cccc([N+](=O)[O-])c1 ZINC000042157322 527327438 /nfs/dbraw/zinc/32/74/38/527327438.db2.gz VIOOXCKNHRYKSM-UHFFFAOYSA-N 0 0 396.472 4.134 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccc(OC)c1 ZINC000002444135 527337688 /nfs/dbraw/zinc/33/76/88/527337688.db2.gz QIRUKGSSFUILOI-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1cccc(Cl)c1 ZINC000006192369 527395366 /nfs/dbraw/zinc/39/53/66/527395366.db2.gz RBABZRDQAHMXAM-XLWYYFMFSA-N 0 0 385.836 4.343 50 30 GIEARN COC(=O)c1ccc(N2[C@@H](c3ccccc3O)Oc3ccccc3[C@H]2C#N)cc1 ZINC000005798266 536738442 /nfs/dbraw/zinc/73/84/42/536738442.db2.gz XNISWUZRAVUTNA-DENIHFKCSA-N 0 0 386.407 4.341 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2)cc1 ZINC000046125873 570209948 /nfs/dbraw/zinc/20/99/48/570209948.db2.gz QNHJWDOXPYDMNX-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN O=C(N=C(NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000046133081 570213469 /nfs/dbraw/zinc/21/34/69/570213469.db2.gz WJEJQMJBIJQCSX-KRWDZBQOSA-N 0 0 391.393 4.082 50 30 GIEARN CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 ZINC000000729439 570221725 /nfs/dbraw/zinc/22/17/25/570221725.db2.gz RQSVSQADLPEUCB-VQUVXCFPSA-N 0 0 390.483 4.480 50 30 GIEARN C=C(C)CN(C)C(=O)Cc1c(C)n(Cc2ccccc2F)c2c1C(=O)CCC2 ZINC000011712696 570234295 /nfs/dbraw/zinc/23/42/95/570234295.db2.gz OXCZUIUIFKGKDL-UHFFFAOYSA-N 0 0 382.479 4.080 50 30 GIEARN C=CCn1c(CN(C)C/C(C)=C/c2ccccc2)nnc1SC[C@@H]1CCCO1 ZINC000012331245 570236655 /nfs/dbraw/zinc/23/66/55/570236655.db2.gz FEQAGQKCTNPSME-GJPUVDBCSA-N 0 0 398.576 4.271 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2ccsc2c1=O ZINC000012635365 570238136 /nfs/dbraw/zinc/23/81/36/570238136.db2.gz MESZPRXVHFYJBA-GFCCVEGCSA-N 0 0 386.498 4.016 50 30 GIEARN C=CCN(C(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793260 570238486 /nfs/dbraw/zinc/23/84/86/570238486.db2.gz CEZYOAQGIGEFRP-OAQYLSRUSA-N 0 0 392.499 4.204 50 30 GIEARN C=CCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2c2ccccc2C)C1=O ZINC000016362885 570249720 /nfs/dbraw/zinc/24/97/20/570249720.db2.gz BEXWVHBZQAZDEU-RUZDIDTESA-N 0 0 395.462 4.453 50 30 GIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000000730655 570250499 /nfs/dbraw/zinc/25/04/99/570250499.db2.gz VRMBZMCSFOFYGU-UHFFFAOYSA-N 0 0 394.500 4.082 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000020568850 570268540 /nfs/dbraw/zinc/26/85/40/570268540.db2.gz OLKSSWLBAFUKAA-QFIPXVFZSA-N 0 0 389.451 4.104 50 30 GIEARN N#Cc1cccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)c1 ZINC000012871280 570272798 /nfs/dbraw/zinc/27/27/98/570272798.db2.gz PDIVJBRKUDLFIM-UHFFFAOYSA-N 0 0 391.862 4.449 50 30 GIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000002055337 570272835 /nfs/dbraw/zinc/27/28/35/570272835.db2.gz SHEZOSXOKAWSLV-NRFANRHFSA-N 0 0 383.488 4.397 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000002055493 570272914 /nfs/dbraw/zinc/27/29/14/570272914.db2.gz VDLSHUFCQCLSKO-NRFANRHFSA-N 0 0 399.487 4.015 50 30 GIEARN CCCCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000053307385 570279726 /nfs/dbraw/zinc/27/97/26/570279726.db2.gz NSUWZZIRNNABPA-OAHLLOKOSA-N 0 0 394.585 4.455 50 30 GIEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2cccc(Cl)c2)n1 ZINC000002291461 570281156 /nfs/dbraw/zinc/28/11/56/570281156.db2.gz ZSDHDNBTEDLDMS-UHFFFAOYSA-N 0 0 379.851 4.276 50 30 GIEARN C=CCn1c(SCc2ccccc2F)nnc1[C@@H]1COc2ccccc2O1 ZINC000021088342 570283978 /nfs/dbraw/zinc/28/39/78/570283978.db2.gz XSHNURKBNZPKCV-SFHVURJKSA-N 0 0 383.448 4.408 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821516 570288539 /nfs/dbraw/zinc/28/85/39/570288539.db2.gz FAFGTHVVDLOHCM-FYYLOGMGSA-N 0 0 393.483 4.081 50 30 GIEARN CCN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000032945433 570300800 /nfs/dbraw/zinc/30/08/00/570300800.db2.gz BTHRLOIIFIECKT-YHARCJFQSA-N 0 0 389.543 4.190 50 30 GIEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(Br)cc1 ZINC000000711688 570301238 /nfs/dbraw/zinc/30/12/38/570301238.db2.gz YWMQLROYJAJPJV-UHFFFAOYSA-N 0 0 388.228 4.243 50 30 GIEARN C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000024441078 570302006 /nfs/dbraw/zinc/30/20/06/570302006.db2.gz CYCDXTRIZOSDNU-ZIAGYGMSSA-N 0 0 395.956 4.094 50 30 GIEARN C=CCn1c(SCc2nc(C(C)C)no2)nc2ccc(Cl)cc2c1=O ZINC000024988674 570304095 /nfs/dbraw/zinc/30/40/95/570304095.db2.gz PZLXVOILTNHHAN-UHFFFAOYSA-N 0 0 376.869 4.035 50 30 GIEARN Cc1ccc(-c2cc(C(=O)NCC#Cc3ccccc3)c3c(C)noc3n2)s1 ZINC000025583784 570304763 /nfs/dbraw/zinc/30/47/63/570304763.db2.gz BRQRENCAXNXTPE-UHFFFAOYSA-N 0 0 387.464 4.350 50 30 GIEARN COc1ccc(-n2c(NN=C(C)C)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000004837267 570311370 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O=C(c1ccco1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1 ZINC000000796009 570335962 /nfs/dbraw/zinc/33/59/62/570335962.db2.gz XZVHHHDPBRHFSC-SFHVURJKSA-N 0 0 379.437 4.162 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000024050708 570344453 /nfs/dbraw/zinc/34/44/53/570344453.db2.gz UBWBUECKGQAHCG-UHFFFAOYSA-N 0 0 379.489 4.108 50 30 GIEARN CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)cc2C#N)CC1 ZINC000116812423 570345576 /nfs/dbraw/zinc/34/55/76/570345576.db2.gz BPMGRWQZDOWTFR-UHFFFAOYSA-N 0 0 381.270 4.099 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265792 570353293 /nfs/dbraw/zinc/35/32/93/570353293.db2.gz TVDJKDSTBJAALB-IBGZPJMESA-N 0 0 392.411 4.230 50 30 GIEARN CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000004902105 570360296 /nfs/dbraw/zinc/36/02/96/570360296.db2.gz UOAYPLOLOJPBLJ-OJIBODITSA-N 0 0 381.501 4.248 50 30 GIEARN COc1cccc(/C=C/C(=O)c2ccc(I)cc2)c1OC ZINC000004185332 570361909 /nfs/dbraw/zinc/36/19/09/570361909.db2.gz 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Cc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)c(C)c1 ZINC000244748755 570433462 /nfs/dbraw/zinc/43/34/62/570433462.db2.gz ONUQMGYSJRPUOY-UHFFFAOYSA-N 0 0 386.337 4.218 50 30 GIEARN Cc1nc(C(=O)N(C)c2cc(Cl)ccc2C#N)nn1-c1ccc(Cl)cc1 ZINC000176424798 570434413 /nfs/dbraw/zinc/43/44/13/570434413.db2.gz FUJBEUCMIBWRKL-UHFFFAOYSA-N 0 0 386.242 4.031 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000245238943 570434546 /nfs/dbraw/zinc/43/45/46/570434546.db2.gz CSBUEGHWYWGGEI-SPLHEJJYSA-N 0 0 380.532 4.306 50 30 GIEARN CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2C=Cc3ccccc3[C@H]2C1(C#N)C#N ZINC000245311663 570435302 /nfs/dbraw/zinc/43/53/02/570435302.db2.gz PRYHLLMOEDZPCL-ZLNRFVROSA-N 0 0 383.451 4.201 50 30 GIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000005157688 570442384 /nfs/dbraw/zinc/44/23/84/570442384.db2.gz DIJKNMOLRVCFHV-KMDXXIMOSA-N 0 0 393.483 4.094 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 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N#Cc1c(N)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cccs1 ZINC000019418687 207121696 /nfs/dbraw/zinc/12/16/96/207121696.db2.gz PIHGOMNGNFJXFO-UHFFFAOYSA-N 0 0 376.466 4.292 50 30 GIEARN N#Cc1ccc(OCCOC(=O)c2ccccc2SC[C@@H]2CCCO2)cc1 ZINC000019606089 207143934 /nfs/dbraw/zinc/14/39/34/207143934.db2.gz TYIGRSGBLVOSRF-SFHVURJKSA-N 0 0 383.469 4.065 50 30 GIEARN N#Cc1c(N)nc2c(sc(Nc3ccccc3)c2C(N)=O)c1-c1ccccc1 ZINC000019881424 207167700 /nfs/dbraw/zinc/16/77/00/207167700.db2.gz VJCANGHIFSKRFF-UHFFFAOYSA-N 0 0 385.452 4.260 50 30 GIEARN COc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1 ZINC000019799169 207163585 /nfs/dbraw/zinc/16/35/85/207163585.db2.gz PPMCBUNJHACFOX-UHFFFAOYSA-N 0 0 378.482 4.437 50 30 GIEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1c(F)cccc1Cl)CC(=O)N3 ZINC000020291928 207186452 /nfs/dbraw/zinc/18/64/52/207186452.db2.gz OLVYLCITEQCBHU-QMMMGPOBSA-N 0 0 386.839 4.325 50 30 GIEARN COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCC4)o2)cc1 ZINC000020601966 207205557 /nfs/dbraw/zinc/20/55/57/207205557.db2.gz 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30 GIEARN C#CCOc1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1 ZINC000002814433 208862862 /nfs/dbraw/zinc/86/28/62/208862862.db2.gz HSKCLDBBAMXPBN-SILNSSARSA-N 0 0 377.465 4.368 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccc(C)c1 ZINC000002849337 208866379 /nfs/dbraw/zinc/86/63/79/208866379.db2.gz DJBHMPUZOGBBKT-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C ZINC000002898916 208869397 /nfs/dbraw/zinc/86/93/97/208869397.db2.gz LTRJPFCETCZNMT-UHFFFAOYSA-N 0 0 378.424 4.109 50 30 GIEARN CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc2o1 ZINC000059773834 209000446 /nfs/dbraw/zinc/00/04/46/209000446.db2.gz HYOLUSLGMRLSEO-UHFFFAOYSA-N 0 0 389.864 4.451 50 30 GIEARN CCOc1cc(C#N)cc(Br)c1OC(=O)/C=C/c1ccc(F)cc1 ZINC000006335385 220929716 /nfs/dbraw/zinc/92/97/16/220929716.db2.gz MLYSFVRVSYZXDU-VMPITWQZSA-N 0 0 390.208 4.477 50 30 GIEARN COc1ccc(/C=C2/Oc3c(cc4c(c3C)OCN(C(C)C)C4)C2=O)cc1OC ZINC000062001278 533240831 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C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 ZINC000065513838 518704040 /nfs/dbraw/zinc/70/40/40/518704040.db2.gz ZKPXVHYASDNEGH-IRXDYDNUSA-N 0 0 385.504 4.154 50 30 GIEARN C=CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)c1ccccc1 ZINC000095964735 518736953 /nfs/dbraw/zinc/73/69/53/518736953.db2.gz OVBPJCJXEAGDRZ-UHFFFAOYSA-N 0 0 384.284 4.230 50 30 GIEARN C=CCN(C(=O)c1ccc(COc2cccc(Br)c2)o1)C1CC1 ZINC000095459036 518739000 /nfs/dbraw/zinc/73/90/00/518739000.db2.gz OFKYDEYLZIYRBQ-UHFFFAOYSA-N 0 0 376.250 4.412 50 30 GIEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)NCCCC ZINC000004764721 518745613 /nfs/dbraw/zinc/74/56/13/518745613.db2.gz OOZOIMNFMQQOMZ-UHFFFAOYSA-N 0 0 397.519 4.115 50 30 GIEARN C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)c1ccc(CCCCC)cc1 ZINC000035758450 518759455 /nfs/dbraw/zinc/75/94/55/518759455.db2.gz KUXLGXNQSDCDBX-UHFFFAOYSA-N 0 0 385.533 4.451 50 30 GIEARN C=CCN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N\c1nccs1 ZINC000013691776 518828343 /nfs/dbraw/zinc/82/83/43/518828343.db2.gz GXXHSQDBFLIUOT-FPQSPYSJSA-N 0 0 378.482 4.481 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1 ZINC000037556060 518901773 /nfs/dbraw/zinc/90/17/73/518901773.db2.gz QEBUDKPOXHQDFT-UHFFFAOYSA-N 0 0 394.490 4.394 50 30 GIEARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3(C#N)CCCC3)o2)cc1 ZINC000005795300 519009154 /nfs/dbraw/zinc/00/91/54/519009154.db2.gz PXXOMVNADLFCLM-UHFFFAOYSA-N 0 0 384.505 4.079 50 30 GIEARN C=CCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1Br ZINC000003126688 519028012 /nfs/dbraw/zinc/02/80/12/519028012.db2.gz JYYFNFPWHNCHSL-UHFFFAOYSA-N 0 0 375.218 4.054 50 30 GIEARN C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC ZINC000010412379 519033871 /nfs/dbraw/zinc/03/38/71/519033871.db2.gz NOWMPBONPUHTJD-FQEVSTJZSA-N 0 0 396.487 4.473 50 30 GIEARN C=CCOc1cccc(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000005451061 519051141 /nfs/dbraw/zinc/05/11/41/519051141.db2.gz OGIBXGPGSLVBFY-UHFFFAOYSA-N 0 0 383.835 4.227 50 30 GIEARN C=CCc1cccc2cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c(=O)oc21 ZINC000002998244 519143166 /nfs/dbraw/zinc/14/31/66/519143166.db2.gz RJJWQFGIMTWMMH-OAHLLOKOSA-N 0 0 376.408 4.258 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2ccccc2F)c1C ZINC000006128993 519172626 /nfs/dbraw/zinc/17/26/26/519172626.db2.gz CJBQZLCRKAEVDC-UHFFFAOYSA-N 0 0 384.480 4.294 50 30 GIEARN C=CCn1c(CC(=O)Nc2ccccc2C)nnc1SCc1ccccc1F ZINC000009582396 519176240 /nfs/dbraw/zinc/17/62/40/519176240.db2.gz MODABTIXTSEXMT-UHFFFAOYSA-N 0 0 396.491 4.385 50 30 GIEARN C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1C1CCCCC1 ZINC000003485643 519203313 /nfs/dbraw/zinc/20/33/13/519203313.db2.gz KBBIPCZPPZZLCR-UHFFFAOYSA-N 0 0 396.560 4.189 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1 ZINC000002351644 519224114 /nfs/dbraw/zinc/22/41/14/519224114.db2.gz USIWFVIPNSMVBS-UHFFFAOYSA-N 0 0 393.516 4.380 50 30 GIEARN C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C)c3)nc21 ZINC000000801941 519264644 /nfs/dbraw/zinc/26/46/44/519264644.db2.gz FFCAKBMJBYOGAZ-UHFFFAOYSA-N 0 0 389.484 4.205 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F ZINC000102696685 519368187 /nfs/dbraw/zinc/36/81/87/519368187.db2.gz VWBAYPZVCVNMJW-ZLNRFVROSA-N 0 0 381.447 4.224 50 30 GIEARN CC(=O)Nc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000065567412 519737598 /nfs/dbraw/zinc/73/75/98/519737598.db2.gz SBZYVNCPSAMUQW-HSZRJFAPSA-N 0 0 399.450 4.219 50 30 GIEARN CC(=O)O[C@@](C)(C#CCN1CCCC[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000055243883 519757742 /nfs/dbraw/zinc/75/77/42/519757742.db2.gz HJMJDULWIZHBIX-RPWUZVMVSA-N 0 0 376.500 4.177 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000012553144 519829077 /nfs/dbraw/zinc/82/90/77/519829077.db2.gz YNJWXDSEBFHACD-FVMDXXJSSA-N 0 0 391.682 4.247 50 30 GIEARN CCCC/N=C(\C(=O)Nc1ccc(OC)cc1C)c1ccccc1NC(C)=O ZINC000002950744 519887119 /nfs/dbraw/zinc/88/71/19/519887119.db2.gz IMZPNVVIWRJYCD-LNVKXUELSA-N 0 0 381.476 4.190 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(N(C)C)cc1 ZINC000101285033 520059559 /nfs/dbraw/zinc/05/95/59/520059559.db2.gz MWJZPYCLWCBDDO-FQEVSTJZSA-N 0 0 397.523 4.147 50 30 GIEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC ZINC000098050494 520065757 /nfs/dbraw/zinc/06/57/57/520065757.db2.gz IJNUDZOUMCJMQD-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN CCCCCCc1ccc(OCCOc2cccc(/C=N/NC(N)=S)c2)cc1 ZINC000004671968 520137206 /nfs/dbraw/zinc/13/72/06/520137206.db2.gz UCCRLDZWCULQAM-JJIBRWJFSA-N 0 0 399.560 4.434 50 30 GIEARN CC1(C)CC(=O)C(C(c2ccc(C#N)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004689 520252972 /nfs/dbraw/zinc/25/29/72/520252972.db2.gz BEMRBFZYOWCMBU-FQEVSTJZSA-N 0 0 393.483 4.417 50 30 GIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2 ZINC000020517495 520418282 /nfs/dbraw/zinc/41/82/82/520418282.db2.gz SCZJENVKFXDNPT-MOSHPQCFSA-N 0 0 395.455 4.027 50 30 GIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000020503837 520419474 /nfs/dbraw/zinc/41/94/74/520419474.db2.gz RDNDAGHBJDTOFI-UNOMPAQXSA-N 0 0 382.416 4.149 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccc(C)n2)C1=O ZINC000036258439 520536648 /nfs/dbraw/zinc/53/66/48/520536648.db2.gz BIZSXYDCVWZPDY-LFIBNONCSA-N 0 0 384.432 4.073 50 30 GIEARN CCOc1cc(/C=C2\COc3ccccc3C2=O)cc(Br)c1O ZINC000057438536 520630048 /nfs/dbraw/zinc/63/00/48/520630048.db2.gz IVOGVVMJUSGLBZ-KPKJPENVSA-N 0 0 375.218 4.212 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000096767110 520637052 /nfs/dbraw/zinc/63/70/52/520637052.db2.gz BGZFCPFKYUOOFN-UTCJRWHESA-N 0 0 376.355 4.354 50 30 GIEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000020028901 520792864 /nfs/dbraw/zinc/79/28/64/520792864.db2.gz HEMGIHYQZYPFOE-NRFANRHFSA-N 0 0 394.515 4.009 50 30 GIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1OC ZINC000005959763 520855842 /nfs/dbraw/zinc/85/58/42/520855842.db2.gz KUOVDBKNQPMESJ-RGVLZGJSSA-N 0 0 388.880 4.177 50 30 GIEARN CCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OCC ZINC000000940350 520856387 /nfs/dbraw/zinc/85/63/87/520856387.db2.gz 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ZINC000020357391 521940393 /nfs/dbraw/zinc/94/03/93/521940393.db2.gz PHJZXMVBZZZADT-UHFFFAOYSA-N 0 0 380.473 4.080 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(F)F ZINC000096401349 521980938 /nfs/dbraw/zinc/98/09/38/521980938.db2.gz VJRXDHBAQXFEEK-WMZJFQQLSA-N 0 0 387.382 4.320 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc(Br)c1O ZINC000096766925 521981050 /nfs/dbraw/zinc/98/10/50/521981050.db2.gz LPARQHJUPDISCE-XQRVVYSFSA-N 0 0 393.233 4.077 50 30 GIEARN COc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1OC ZINC000096920257 521984215 /nfs/dbraw/zinc/98/42/15/521984215.db2.gz SSCUAKNDKWJHPF-HJWRWDBZSA-N 0 0 385.847 4.380 50 30 GIEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C(/C)c2cc(Cl)ccc2O)cc1 ZINC000017077889 522428186 /nfs/dbraw/zinc/42/81/86/522428186.db2.gz HSWPXAXWKUKCRX-IDJNSLICSA-N 0 0 380.897 4.262 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccsc1 ZINC000019925555 522885633 /nfs/dbraw/zinc/88/56/33/522885633.db2.gz VEIIRROROXNMAY-FZKQIMNGSA-N 0 0 385.510 4.344 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102877337 523273203 /nfs/dbraw/zinc/27/32/03/523273203.db2.gz NQBBEOZXHSOONS-NHFXJNLRSA-N 0 0 397.471 4.170 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006782328 523281857 /nfs/dbraw/zinc/28/18/57/523281857.db2.gz XYONNMWQEMBDOM-NRFANRHFSA-N 0 0 393.483 4.425 50 30 GIEARN COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000005073515 523364446 /nfs/dbraw/zinc/36/44/46/523364446.db2.gz KXJJFQNXKKOCPD-WYMPLXKRSA-N 0 0 396.365 4.102 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000007717709 523403272 /nfs/dbraw/zinc/40/32/72/523403272.db2.gz POFMMEJDOXHAHG-VMPITWQZSA-N 0 0 377.234 4.371 50 30 GIEARN COc1ccc(/C=C2\N=C(SCCC#N)N(c3cccc(OC)c3)C2=O)cc1 ZINC000004463904 523418260 /nfs/dbraw/zinc/41/82/60/523418260.db2.gz JNHVFFVZGMMFCV-UYRXBGFRSA-N 0 0 393.468 4.094 50 30 GIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc(OC)c(OC)c1 ZINC000033398749 523491830 /nfs/dbraw/zinc/49/18/30/523491830.db2.gz HNWUMPLOPXJYLQ-DAXSKMNVSA-N 0 0 377.234 4.371 50 30 GIEARN COc1ccc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2cccnc2)O3)cc1 ZINC000006671704 523774377 /nfs/dbraw/zinc/77/43/77/523774377.db2.gz AVRXLIUBJYNWQA-JAIQZWGSSA-N 0 0 387.391 4.234 50 30 GIEARN COc1ccc(C(=O)Oc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2)cc1 ZINC000001022389 523774569 /nfs/dbraw/zinc/77/45/69/523774569.db2.gz CRMQKQJFPQEJBX-QNGOZBTKSA-N 0 0 399.402 4.259 50 30 GIEARN CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 ZINC000102728189 523888770 /nfs/dbraw/zinc/88/87/70/523888770.db2.gz SZWSCHASVIKEHC-XLAORIBOSA-N 0 0 394.519 4.309 50 30 GIEARN CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000005025758 523889379 /nfs/dbraw/zinc/88/93/79/523889379.db2.gz SZWSCHASVIKEHC-WNRNVDISSA-N 0 0 394.519 4.309 50 30 GIEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000005023763 523961598 /nfs/dbraw/zinc/96/15/98/523961598.db2.gz BKCFTCBDOSQMIE-JLPGSUDCSA-N 0 0 376.441 4.441 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)CCOc1ccccc1F ZINC000018140633 524035387 /nfs/dbraw/zinc/03/53/87/524035387.db2.gz ABNXGYBJKYJDQB-KGENOOAVSA-N 0 0 397.446 4.018 50 30 GIEARN Cc1ccc(CN2CCN(/C=C/C(=O)c3cccc(OC(F)F)c3)CC2)cc1 ZINC000020028628 524453970 /nfs/dbraw/zinc/45/39/70/524453970.db2.gz KTTNMWGHZKLLIN-MDZDMXLPSA-N 0 0 386.442 4.111 50 30 GIEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3Br)CC2)c(C)c1 ZINC000019791188 524454541 /nfs/dbraw/zinc/45/45/41/524454541.db2.gz KVAKOWLLYFGQFQ-HYARGMPZSA-N 0 0 386.337 4.218 50 30 GIEARN Cc1ccccc1OCCOc1c(Cl)cc(/C=N/n2cnnc2)cc1Cl ZINC000002969158 525304577 /nfs/dbraw/zinc/30/45/77/525304577.db2.gz XQGBDVKHSVOSKL-AUEPDCJTSA-N 0 0 391.258 4.233 50 30 GIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1 ZINC000017921377 525674975 /nfs/dbraw/zinc/67/49/75/525674975.db2.gz CBPHZHOUXJCTTH-FQEVSTJZSA-N 0 0 379.485 4.058 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102522797 525787268 /nfs/dbraw/zinc/78/72/68/525787268.db2.gz CWRWZHYADFSXEG-LFVOPCPISA-N 0 0 390.464 4.073 50 30 GIEARN Cc1ccsc1C(=O)[C@H]1CCCN(Cc2ccc(C#CC(C)(C)O)s2)C1 ZINC000020993001 525830677 /nfs/dbraw/zinc/83/06/77/525830677.db2.gz LORHKBBSTWVTAB-INIZCTEOSA-N 0 0 387.570 4.335 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2F)cc1 ZINC000102861720 525943959 /nfs/dbraw/zinc/94/39/59/525943959.db2.gz ZMUQQFATPSDFGY-YDJIHCHBSA-N 0 0 391.398 4.349 50 30 GIEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc([N+](=O)[O-])cc4)ccc3C2=O)o1 ZINC000013769948 525960259 /nfs/dbraw/zinc/96/02/59/525960259.db2.gz QTULBTKZDILLGH-ODLFYWEKSA-N 0 0 391.335 4.332 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1F ZINC000006565401 526027412 /nfs/dbraw/zinc/02/74/12/526027412.db2.gz CEPWZFWEFRSOTR-SFHVURJKSA-N 0 0 381.359 4.099 50 30 GIEARN C[C@H](c1ccccc1)N1CC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1N ZINC000034769552 526097187 /nfs/dbraw/zinc/09/71/87/526097187.db2.gz QQKKZINAGVHCDF-CYBMUJFWSA-N 0 0 379.460 4.222 50 30 GIEARN CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000036611404 526227038 /nfs/dbraw/zinc/22/70/38/526227038.db2.gz MPSUDLYJVZKWGW-UFWORHAWSA-N 0 0 380.832 4.155 50 30 GIEARN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120564 526235257 /nfs/dbraw/zinc/23/52/57/526235257.db2.gz HNTMDFGVEKVKSK-JTQLQIEISA-N 0 0 393.274 4.272 50 30 GIEARN Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N[C@@H]3C=CC=CC3)n2)c1 ZINC000004478009 526356870 /nfs/dbraw/zinc/35/68/70/526356870.db2.gz RDLWLVWVDRJHRK-MMTNMYCKSA-N 0 0 399.458 4.063 50 30 GIEARN Oc1ccccc1/C=N/CCN(CC/N=C/c1ccccc1O)c1ccccc1 ZINC000104052566 526369930 /nfs/dbraw/zinc/36/99/30/526369930.db2.gz KRFPKOOMJXCUCZ-XUWUHCBVSA-N 0 0 387.483 4.142 50 30 GIEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccc(F)cc1 ZINC000101817378 526430744 /nfs/dbraw/zinc/43/07/44/526430744.db2.gz JXXIPFXSLCWZLE-VSKRKVRLSA-N 0 0 383.426 4.206 50 30 GIEARN N#CCCN(C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 ZINC000003275531 526449203 /nfs/dbraw/zinc/44/92/03/526449203.db2.gz ZMODFRSDPZGHLQ-UHFFFAOYSA-N 0 0 394.446 4.128 50 30 GIEARN N#CCCn1cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000096767104 526466203 /nfs/dbraw/zinc/46/62/03/526466203.db2.gz CEDXBUCZEJMUQE-CLFYSBASSA-N 0 0 385.423 4.131 50 30 GIEARN N#C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(Br)c1 ZINC000095401294 526510329 /nfs/dbraw/zinc/51/03/29/526510329.db2.gz HXNUJUOBNNISDP-FMKPAKJESA-N 0 0 391.215 4.212 50 30 GIEARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000033321220 526676757 /nfs/dbraw/zinc/67/67/57/526676757.db2.gz HBPBIMCDUIXEDG-QKKBWIMNSA-N 0 0 388.423 4.352 50 30 GIEARN NC(=NOCCOc1cccc(Cl)c1)c1ccc(OCc2cccnc2)cc1 ZINC000058159932 526813326 /nfs/dbraw/zinc/81/33/26/526813326.db2.gz VIWJXFXTDDEESI-UHFFFAOYSA-N 0 0 397.862 4.030 50 30 GIEARN C=CCOc1ccc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc32)cc1OC ZINC000012996167 526854401 /nfs/dbraw/zinc/85/44/01/526854401.db2.gz UTCQSIJDJOPPSH-AWEZNQCLSA-N 0 0 379.412 4.170 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102799725 526957208 /nfs/dbraw/zinc/95/72/08/526957208.db2.gz QRFPOYGDTLILPP-YDJIHCHBSA-N 0 0 389.382 4.158 50 30 GIEARN C=CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000012433139 526985235 /nfs/dbraw/zinc/98/52/35/526985235.db2.gz CRKSQLXFYFNTBQ-LJQANCHMSA-N 0 0 378.472 4.115 50 30 GIEARN Clc1ccccc1CN1CCN(/N=C/c2ccc(Br)s2)CC1 ZINC000019835485 526987910 /nfs/dbraw/zinc/98/79/10/526987910.db2.gz JCUMWNRTXGLVBA-YBFXNURJSA-N 0 0 398.757 4.316 50 30 GIEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017081180 527022685 /nfs/dbraw/zinc/02/26/85/527022685.db2.gz KHHUOSGSCCMGJA-BBRMVZONSA-N 0 0 396.830 4.253 50 30 GIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000017029153 527023917 /nfs/dbraw/zinc/02/39/17/527023917.db2.gz OHKQPIVUEOADSO-FKIZINRSSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000009316559 527033061 /nfs/dbraw/zinc/03/30/61/527033061.db2.gz JBICXHVGLXVNNF-XCLFUZPHSA-N 0 0 392.846 4.053 50 30 GIEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCc2ccccc21)c1ccccc1 ZINC000102944256 527161549 /nfs/dbraw/zinc/16/15/49/527161549.db2.gz HIJCTJLASORNHU-GHVJWSGMSA-N 0 0 376.481 4.275 50 30 GIEARN C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1C(C)C ZINC000096290677 527343369 /nfs/dbraw/zinc/34/33/69/527343369.db2.gz DTOQVLWBRBKEDN-UHFFFAOYSA-N 0 0 396.516 4.403 50 30 GIEARN O=[N+]([O-])c1ccc(Cl)c(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000017209226 527354660 /nfs/dbraw/zinc/35/46/60/527354660.db2.gz GWRKQDMVGVEIPG-QGMBQPNBSA-N 0 0 394.243 4.331 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1)Nc1cc(C)cc(C)c1 ZINC000032972648 527628974 /nfs/dbraw/zinc/62/89/74/527628974.db2.gz PYGYFBVJXRBLOX-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1 ZINC000008295264 527656240 /nfs/dbraw/zinc/65/62/40/527656240.db2.gz YMOCKJOIASMJTF-NVNXTCNLSA-N 0 0 382.412 4.490 50 30 GIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046128561 570210762 /nfs/dbraw/zinc/21/07/62/570210762.db2.gz MXCAFTPTSNSXRY-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NC[C@H]1CCCO1 ZINC000046131110 570211988 /nfs/dbraw/zinc/21/19/88/570211988.db2.gz SURXRVNNJFZRCR-HXUWFJFHSA-N 0 0 379.504 4.243 50 30 GIEARN CC(C)c1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1 ZINC000046133229 570213347 /nfs/dbraw/zinc/21/33/47/570213347.db2.gz KZACACSHWNLSKV-HXUWFJFHSA-N 0 0 383.467 4.326 50 30 GIEARN C=CCN1C(=S)SC(=O)/C1=C\c1cccc(OC(=O)c2ccccc2)c1 ZINC000000724199 570220434 /nfs/dbraw/zinc/22/04/34/570220434.db2.gz KBILPEONCXPWPY-GHRIWEEISA-N 0 0 381.478 4.293 50 30 GIEARN C#Cc1cccc(C(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000011843736 570234517 /nfs/dbraw/zinc/23/45/17/570234517.db2.gz AAQMCUKSSFKMQZ-SFHVURJKSA-N 0 0 385.385 4.422 50 30 GIEARN O=C(C#Cc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012449155 570237480 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CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821557 570288456 /nfs/dbraw/zinc/28/84/56/570288456.db2.gz ZRBZZVANWIFELQ-GGAORHGYSA-N 0 0 377.484 4.380 50 30 GIEARN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccccc1 ZINC000002506489 570289363 /nfs/dbraw/zinc/28/93/63/570289363.db2.gz GPKULNUIUIXOGE-OEAKJJBVSA-N 0 0 393.443 4.365 50 30 GIEARN O=C1Nc2ccc(Br)cc2/C1=N\c1ccc(OC(F)(F)F)cc1 ZINC000002582257 570291558 /nfs/dbraw/zinc/29/15/58/570291558.db2.gz FYHXQLRQNGVYOV-UHFFFAOYSA-N 0 0 385.139 4.421 50 30 GIEARN COc1cc(C(=O)Nc2ccc(C3(C#N)CCCC3)cc2)ccc1OC(C)=O ZINC000002840822 570307010 /nfs/dbraw/zinc/30/70/10/570307010.db2.gz LFMMCHBASVURKJ-UHFFFAOYSA-N 0 0 378.428 4.208 50 30 GIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 ZINC000000798049 570339076 /nfs/dbraw/zinc/33/90/76/570339076.db2.gz SLJCSTXMCSCYNT-HXUWFJFHSA-N 0 0 388.423 4.070 50 30 GIEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C#N)cc3)s2)cc1 ZINC000006256067 570350351 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Cc1ccc(C(=O)Oc2ccc(C=Nn3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000252607087 570419691 /nfs/dbraw/zinc/41/96/91/570419691.db2.gz GXXXXHAKWKEAJE-UHFFFAOYSA-N 0 0 397.434 4.115 50 30 GIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(C(C)(C)C)cc2)c1O ZINC000239025411 570427820 /nfs/dbraw/zinc/42/78/20/570427820.db2.gz BOBCNMVCIDGRBG-UHFFFAOYSA-N 0 0 382.489 4.128 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005094686 570428887 /nfs/dbraw/zinc/42/88/87/570428887.db2.gz GZDAXOWDCFUAPW-OAQYLSRUSA-N 0 0 387.483 4.324 50 30 GIEARN O=C1N/C(=N\N=C\c2cccs2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000005214309 570431395 /nfs/dbraw/zinc/43/13/95/570431395.db2.gz NUICNRUIBGARID-MEBUONCMSA-N 0 0 384.313 4.219 50 30 GIEARN C[C@@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000006485672 570449249 /nfs/dbraw/zinc/44/92/49/570449249.db2.gz OSTSJMMSXMVPMI-QGZVFWFLSA-N 0 0 392.455 4.367 50 30 GIEARN O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000005816337 570458239 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Cc1nc(-c2cccc(Br)c2)ccc1C(=O)NC1(C#N)CCCC1 ZINC000089537038 570492207 /nfs/dbraw/zinc/49/22/07/570492207.db2.gz YNIXCEQOCRMUPA-UHFFFAOYSA-N 0 0 384.277 4.386 50 30 GIEARN Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)COCc2ccccc2Cl)c1C ZINC000072292288 570493899 /nfs/dbraw/zinc/49/38/99/570493899.db2.gz MNDYIGXPMWVNFB-UHFFFAOYSA-N 0 0 394.862 4.170 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000006813782 570494864 /nfs/dbraw/zinc/49/48/64/570494864.db2.gz PIWFESMCEYBBIS-IEBWSBKVSA-N 0 0 397.858 4.097 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000006813177 570495074 /nfs/dbraw/zinc/49/50/74/570495074.db2.gz QPBPPKGNIZWMST-LJQANCHMSA-N 0 0 399.874 4.263 50 30 GIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2 ZINC000006819592 570495411 /nfs/dbraw/zinc/49/54/11/570495411.db2.gz UJZQEUKOFFUNCE-APWZRJJASA-N 0 0 391.467 4.098 50 30 GIEARN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O ZINC000006819506 570495414 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GIEARN C=CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000004145425 570540168 /nfs/dbraw/zinc/54/01/68/570540168.db2.gz WBVQJGNOYNLLQO-XDHOZWIPSA-N 0 0 375.403 4.059 50 30 GIEARN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000006813715 570541761 /nfs/dbraw/zinc/54/17/61/570541761.db2.gz PPUHWCYCQUSFTB-KXBFYZLASA-N 0 0 397.858 4.097 50 30 GIEARN C=CCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)c1ccco1 ZINC000036106284 570541901 /nfs/dbraw/zinc/54/19/01/570541901.db2.gz SFNGLLQPXLDSPU-UHFFFAOYSA-N 0 0 384.457 4.152 50 30 GIEARN COc1cc(/C=C/C(=O)c2ccc(OCc3nccn3C)cc2)cc(Cl)c1O ZINC000040146064 570558094 /nfs/dbraw/zinc/55/80/94/570558094.db2.gz BSXUGMTVWYFYLN-FPYGCLRLSA-N 0 0 398.846 4.263 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cccc(C)c4)nc3c2[C@@H]1c1ccco1 ZINC000005345350 570560792 /nfs/dbraw/zinc/56/07/92/570560792.db2.gz NIJYTUMDOBFNNH-GOSISDBHSA-N 0 0 386.411 4.080 50 30 GIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)NC(=O)CCS4)sc2C1 ZINC000032981864 570571213 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392.455 4.220 50 30 GIEARN COc1ccccc1OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000013623565 570662534 /nfs/dbraw/zinc/66/25/34/570662534.db2.gz JWGHCIKLOLNSNL-UHFFFAOYSA-N 0 0 389.455 4.051 50 30 GIEARN CCC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000004348816 570676029 /nfs/dbraw/zinc/67/60/29/570676029.db2.gz XXMHIEXYFGCSMD-CYBMUJFWSA-N 0 0 380.728 4.133 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nnc1-c1ccncc1 ZINC000006908759 570698679 /nfs/dbraw/zinc/69/86/79/570698679.db2.gz FRNIHQDERVNRLU-OAHLLOKOSA-N 0 0 394.500 4.288 50 30 GIEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@H]1COc2ccccc2O1 ZINC000006910611 570699136 /nfs/dbraw/zinc/69/91/36/570699136.db2.gz LHOAVUHZZLYSMB-LJQANCHMSA-N 0 0 390.468 4.141 50 30 GIEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000006909867 570699167 /nfs/dbraw/zinc/69/91/67/570699167.db2.gz SNVCCFWDTHJBMO-QWRGUYRKSA-N 0 0 399.347 4.437 50 30 GIEARN C[C@@H](NC(=S)Nc1ccc(F)cc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878804 570703145 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CCn1cc(-c2nc3ccc(C)cc3c(C(=O)N3CCC[C@H](C#N)C3)c2C)cn1 ZINC000063871704 570752759 /nfs/dbraw/zinc/75/27/59/570752759.db2.gz UHDAXIWJGMSVNS-QGZVFWFLSA-N 0 0 387.487 4.111 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1F ZINC000009095785 570774462 /nfs/dbraw/zinc/77/44/62/570774462.db2.gz BQUPUSXGFKDFDW-UHFFFAOYSA-N 0 0 378.432 4.117 50 30 GIEARN CC(=O)O[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@@H]1CC3 ZINC000257350044 570785412 /nfs/dbraw/zinc/78/54/12/570785412.db2.gz UHDRFSPZQJHGCE-JIVKCINCSA-N 0 0 388.504 4.136 50 30 GIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005868871 570799522 /nfs/dbraw/zinc/79/95/22/570799522.db2.gz HWVJNEOLJAEDCX-INIZCTEOSA-N 0 0 381.501 4.227 50 30 GIEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005883989 570800871 /nfs/dbraw/zinc/80/08/71/570800871.db2.gz ZKVHQAGSLMURFO-INIZCTEOSA-N 0 0 399.516 4.374 50 30 GIEARN Cc1sc(NC(=O)CCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C ZINC000005921702 570803926 /nfs/dbraw/zinc/80/39/26/570803926.db2.gz DLNBQDIBLOGJMY-UHFFFAOYSA-N 0 0 386.502 4.144 50 30 GIEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005923858 570804520 /nfs/dbraw/zinc/80/45/20/570804520.db2.gz WCKSOYKCCKAANI-INIZCTEOSA-N 0 0 395.528 4.473 50 30 GIEARN CCOc1cc(C=NNC(N)=S)ccc1OCc1c(F)cccc1Cl ZINC000005958782 570808727 /nfs/dbraw/zinc/80/87/27/570808727.db2.gz QBHGMABXJXDVBP-ZVBGSRNCSA-N 0 0 381.860 4.245 50 30 GIEARN CCOc1ccc(-n2c(SCCC#N)nnc2-c2cccc(OC)c2)cc1 ZINC000006039260 570816378 /nfs/dbraw/zinc/81/63/78/570816378.db2.gz DSJMINZGIQZPSE-UHFFFAOYSA-N 0 0 380.473 4.347 50 30 GIEARN CCOCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccccc1 ZINC000101460655 570823162 /nfs/dbraw/zinc/82/31/62/570823162.db2.gz BDXYXLGXDXVEBB-GKVQKNEHSA-N 0 0 398.484 4.041 50 30 GIEARN Cc1cc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)n(-c2ccccc2)n1 ZINC000012516855 570826181 /nfs/dbraw/zinc/82/61/81/570826181.db2.gz VZXLDPPGTKXWEQ-UHFFFAOYSA-N 0 0 391.500 4.103 50 30 GIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]1c1cccn1C ZINC000239386698 570829717 /nfs/dbraw/zinc/82/97/17/570829717.db2.gz QAZWGEOVYIBBCB-BEFAXECRSA-N 0 0 396.560 4.391 50 30 GIEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)CCC3 ZINC000003286847 570851344 /nfs/dbraw/zinc/85/13/44/570851344.db2.gz HWZDJTGRVXSOCF-UHFFFAOYSA-N 0 0 399.497 4.333 50 30 GIEARN C=CCSc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 ZINC000032883949 570884574 /nfs/dbraw/zinc/88/45/74/570884574.db2.gz XKKBNBHKUZIXTB-UHFFFAOYSA-N 0 0 382.514 4.276 50 30 GIEARN Cc1ccsc1C(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000014073728 570903298 /nfs/dbraw/zinc/90/32/98/570903298.db2.gz SYXDWFAXWWNZHX-UHFFFAOYSA-N 0 0 393.468 4.131 50 30 GIEARN N#Cc1ccc(COC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000016919426 570917857 /nfs/dbraw/zinc/91/78/57/570917857.db2.gz DDINAALMWYDBML-UHFFFAOYSA-N 0 0 398.462 4.307 50 30 GIEARN O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(F)cc1 ZINC000004589307 570924101 /nfs/dbraw/zinc/92/41/01/570924101.db2.gz LKWUWFIDOKCMJO-GFMRDNFCSA-N 0 0 390.374 4.097 50 30 GIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000004902112 570938252 /nfs/dbraw/zinc/93/82/52/570938252.db2.gz UOAYPLOLOJPBLJ-FDJFIASXSA-N 0 0 381.501 4.248 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)CSc1ccccc1 ZINC000007759461 570940746 /nfs/dbraw/zinc/94/07/46/570940746.db2.gz HYFYWYJSBJYPRS-UHFFFAOYSA-N 0 0 379.485 4.352 50 30 GIEARN CCCCCCCCCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000002109386 570949852 /nfs/dbraw/zinc/94/98/52/570949852.db2.gz RBBZSIFZZRPZPJ-NTZUZEMLSA-N 0 0 386.529 4.150 50 30 GIEARN O=c1c(Br)c(N=NCCCc2ccccc2)cnn1-c1ccccc1 ZINC000004749822 570961631 /nfs/dbraw/zinc/96/16/31/570961631.db2.gz UODRIDIFIBCLKT-FYJGNVAPSA-N 0 0 397.276 4.026 50 30 GIEARN C[C@H]1CCN(CC(=O)N[C@](C)(C#N)C2CC2)c2cc(C(F)(F)F)ccc2S1 ZINC000107071198 570970384 /nfs/dbraw/zinc/97/03/84/570970384.db2.gz JVNNHTPUZTVEGU-KPZWWZAWSA-N 0 0 397.466 4.205 50 30 GIEARN N#Cc1cccc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)(F)F)c1 ZINC000107101759 570970797 /nfs/dbraw/zinc/97/07/97/570970797.db2.gz IFZUTLYUOBCXTQ-UHFFFAOYSA-N 0 0 391.740 4.063 50 30 GIEARN Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C)c(Cl)c(C)c1C#N ZINC000004771552 570975974 /nfs/dbraw/zinc/97/59/74/570975974.db2.gz QQDCOVFVXYSTTC-UHFFFAOYSA-N 0 0 390.852 4.171 50 30 GIEARN C=CCc1cc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc(OC)c1OC ZINC000083921321 570980092 /nfs/dbraw/zinc/98/00/92/570980092.db2.gz INIXDEZQJFJJMJ-NHCUHLMSSA-N 0 0 395.499 4.161 50 30 GIEARN CCOc1cc(C=C2SC(=S)NC2=O)ccc1OCc1ccccc1C#N ZINC000002185130 570993327 /nfs/dbraw/zinc/99/33/27/570993327.db2.gz NHKMQFLEZCXGSG-VCHYOVAHSA-N 0 0 396.493 4.025 50 30 GIEARN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000004812735 570998978 /nfs/dbraw/zinc/99/89/78/570998978.db2.gz VCWJXPYNKVMMLP-SFHVURJKSA-N 0 0 393.535 4.314 50 30 GIEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(Cl)cc2)cc1 ZINC000002206092 571004305 /nfs/dbraw/zinc/00/43/05/571004305.db2.gz BGRCECIZYYXUSQ-CSMPYOBQSA-N 0 0 387.892 4.203 50 30 GIEARN CC(=NNc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000252608146 571007991 /nfs/dbraw/zinc/00/79/91/571007991.db2.gz HHEGXCXUDJLBGU-UHFFFAOYSA-N 0 0 383.249 4.448 50 30 GIEARN N#Cc1c2c(sc1NC(=O)[C@H]1CC(c3cccc(F)c3)=NO1)CCCCC2 ZINC000084372116 571015124 /nfs/dbraw/zinc/01/51/24/571015124.db2.gz AQHRFBBTXCCIGC-QGZVFWFLSA-N 0 0 383.448 4.159 50 30 GIEARN Cc1cc(-c2ccccc2)nc(N=NCc2cc(Br)ccc2O)n1 ZINC000252613390 571016852 /nfs/dbraw/zinc/01/68/52/571016852.db2.gz JAQRNNBDJXBHIS-UHFFFAOYSA-N 0 0 383.249 4.366 50 30 GIEARN Cc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1C ZINC000252613918 571016854 /nfs/dbraw/zinc/01/68/54/571016854.db2.gz JEPRITQLTIPOTQ-KRWDZBQOSA-N 0 0 385.464 4.033 50 30 GIEARN N#CCCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000084432857 571017961 /nfs/dbraw/zinc/01/79/61/571017961.db2.gz FPLWZFNREDOESG-UHFFFAOYSA-N 0 0 380.835 4.304 50 30 GIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1ccccc1 ZINC000252616363 571018452 /nfs/dbraw/zinc/01/84/52/571018452.db2.gz JZWGURUFFHBCEJ-SFHVURJKSA-N 0 0 379.485 4.141 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1ccccn1 ZINC000046125254 571023881 /nfs/dbraw/zinc/02/38/81/571023881.db2.gz HAJXYSPFIWQCAC-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN N#Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000084603607 571026142 /nfs/dbraw/zinc/02/61/42/571026142.db2.gz YNUGCNBZJWTZOB-ZDUSSCGKSA-N 0 0 380.448 4.162 50 30 GIEARN CCOC(=O)C1=C(N=Cc2cccc(OCC)c2O)S[C@H]2CCCC[C@@H]12 ZINC000252620330 571026798 /nfs/dbraw/zinc/02/67/98/571026798.db2.gz MBZLWVNMKSDUBF-ZBFHGGJFSA-N 0 0 375.490 4.290 50 30 GIEARN Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000252621755 571033548 /nfs/dbraw/zinc/03/35/48/571033548.db2.gz NGCRLXRXCBXLJY-UHFFFAOYSA-N 0 0 393.882 4.315 50 30 GIEARN COc1cc(/C=C2/C(C)=NN(c3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000016694355 571049277 /nfs/dbraw/zinc/04/92/77/571049277.db2.gz ZDABNHOKCHXWOK-BOPFTXTBSA-N 0 0 381.819 4.057 50 30 GIEARN COC(=O)c1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000000703879 817372995 /nfs/dbraw/zinc/37/29/95/817372995.db2.gz NJEDNKKYPKQZPN-UHFFFAOYSA-N 0 0 386.407 4.029 50 30 GIEARN CCCCCCCOC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc21 ZINC000002380133 817386267 /nfs/dbraw/zinc/38/62/67/817386267.db2.gz QAUJHLSMYHPLJP-UHFFFAOYSA-N 0 0 398.507 4.330 50 30 GIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc2c(c1)OCO2 ZINC000002393267 817386507 /nfs/dbraw/zinc/38/65/07/817386507.db2.gz GOHABBIDMZFPIX-GRSHGNNSSA-N 0 0 392.388 4.312 50 30 GIEARN O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000002435918 817389132 /nfs/dbraw/zinc/38/91/32/817389132.db2.gz DFFYMGJXSOXIDH-DXVALISGSA-N 0 0 388.250 4.362 50 30 GIEARN COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3ccccc3C#N)ccc2c1 ZINC000002735891 817398796 /nfs/dbraw/zinc/39/87/96/817398796.db2.gz MXZXASVRUPNMKF-HNNXBMFYSA-N 0 0 388.423 4.005 50 30 GIEARN N#C[C@H](c1nc2ccccc2s1)c1cnn(-c2ccccc2)c(=O)c1Cl 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COC(=O)/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)N(CCC(C)C)C1=O ZINC000014009985 207008441 /nfs/dbraw/zinc/00/84/41/207008441.db2.gz VMCVVLKBGJWHHX-VPIPGRHQSA-N 0 0 384.860 4.145 50 30 GIEARN C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000014187730 207013660 /nfs/dbraw/zinc/01/36/60/207013660.db2.gz CIKLZIBXEBNWKT-XMMPIXPASA-N 0 0 381.435 4.192 50 30 GIEARN N#Cc1ccccc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000014639735 207024898 /nfs/dbraw/zinc/02/48/98/207024898.db2.gz AQFWTPRQCWFFDD-MRXNPFEDSA-N 0 0 382.514 4.350 50 30 GIEARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868288 207066051 /nfs/dbraw/zinc/06/60/51/207066051.db2.gz QFKMDFREWOGULU-INIZCTEOSA-N 0 0 399.479 4.445 50 30 GIEARN CCn1c(SCc2ccccc2C#N)nnc1-c1ccc2c(c1)OCCCO2 ZINC000015867245 207066360 /nfs/dbraw/zinc/06/63/60/207066360.db2.gz LTESWMRHXNRKPQ-UHFFFAOYSA-N 0 0 392.484 4.290 50 30 GIEARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868196 207066767 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4.049 50 30 GIEARN C[C@@H]1c2c([nH]n(-c3ccccc3)c2=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000018197834 207095927 /nfs/dbraw/zinc/09/59/27/207095927.db2.gz JWQSGGTTYCELGG-STQMWFEESA-N 0 0 377.469 4.157 50 30 GIEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000018197324 207096042 /nfs/dbraw/zinc/09/60/42/207096042.db2.gz VECJRYUQXNQDIY-ADLMAVQZSA-N 0 0 382.876 4.409 50 30 GIEARN CCOC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000018244441 207097113 /nfs/dbraw/zinc/09/71/13/207097113.db2.gz HMYMMZYITKPIFN-QFIPXVFZSA-N 0 0 394.471 4.459 50 30 GIEARN N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000022615260 207258473 /nfs/dbraw/zinc/25/84/73/207258473.db2.gz NTCSZQSVJLGMPU-UHFFFAOYSA-N 0 0 384.741 4.170 50 30 GIEARN COc1cccc(-c2nnc(Sc3ccc(C#N)cn3)n2Cc2ccco2)c1 ZINC000024762531 207295300 /nfs/dbraw/zinc/29/53/00/207295300.db2.gz OZLIPUACXCXXGP-UHFFFAOYSA-N 0 0 389.440 4.013 50 30 GIEARN N#Cc1ccc(OC[C@@H](O)CSc2ncc(-c3ccccc3)n2C2CC2)cc1 ZINC000032899137 207416730 /nfs/dbraw/zinc/41/67/30/207416730.db2.gz TXROWRHYMQQJII-LJQANCHMSA-N 0 0 391.496 4.289 50 30 GIEARN Cc1nn(C)c2sc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cc12 ZINC000032907006 207419443 /nfs/dbraw/zinc/41/94/43/207419443.db2.gz ZDZOSEACHMQNMU-UHFFFAOYSA-N 0 0 393.497 4.115 50 30 GIEARN CC(C)N(Cc1cccnc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000058251162 207770649 /nfs/dbraw/zinc/77/06/49/207770649.db2.gz CHVIZNPZLNECMV-UHFFFAOYSA-N 0 0 375.428 4.176 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 ZINC000097105059 208336157 /nfs/dbraw/zinc/33/61/57/208336157.db2.gz GJKCJWOZQABLBW-NFBKMPQASA-N 0 0 394.467 4.332 50 30 GIEARN CCn1c(-c2cc(NC(=O)c3ccc(C#N)cc3)n[nH]2)cc2c1cccc2OC ZINC000096398627 208314695 /nfs/dbraw/zinc/31/46/95/208314695.db2.gz VPJIALRVEQULMO-UHFFFAOYSA-N 0 0 385.427 4.184 50 30 GIEARN C[C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1sccc1C#N ZINC000098003827 208365579 /nfs/dbraw/zinc/36/55/79/208365579.db2.gz KOHZHGHVDYSTSU-MEQVVJDKSA-N 0 0 399.476 4.167 50 30 GIEARN CCOC(=O)c1c(CC(C)C)csc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000101011779 208385547 /nfs/dbraw/zinc/38/55/47/208385547.db2.gz XLXXHMWJNQUTPH-UHFFFAOYSA-N 0 0 377.506 4.377 50 30 GIEARN N#Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1 ZINC000101354170 208393034 /nfs/dbraw/zinc/39/30/34/208393034.db2.gz OOAAUFQCFIGJMO-UHFFFAOYSA-N 0 0 394.434 4.054 50 30 GIEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000004275240 208542922 /nfs/dbraw/zinc/54/29/22/208542922.db2.gz IAAQYXZJRACTQK-UHFFFAOYSA-N 0 0 394.283 4.083 50 30 GIEARN C=CCOc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000006761215 208683850 /nfs/dbraw/zinc/68/38/50/208683850.db2.gz YVSLZXVADDNCPS-GZTJUZNOSA-N 0 0 384.229 4.358 50 30 GIEARN C=CCN1c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959543 208702494 /nfs/dbraw/zinc/70/24/94/208702494.db2.gz VRZJGDCPGFOWSD-UHFFFAOYSA-N 0 0 398.890 4.459 50 30 GIEARN N#Cc1ccc(COC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1 ZINC000008273219 208696336 /nfs/dbraw/zinc/69/63/36/208696336.db2.gz SVBDRNDQWPZFEW-UHFFFAOYSA-N 0 0 385.832 4.097 50 30 GIEARN COc1ccc(CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C2CC2)cc1 ZINC000008705419 221050548 /nfs/dbraw/zinc/05/05/48/221050548.db2.gz NAVRHYKWILGUTD-UHFFFAOYSA-N 0 0 395.528 4.170 50 30 GIEARN N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064473702 136156802 /nfs/dbraw/zinc/15/68/02/136156802.db2.gz BKYLTFJXHDIYCG-UHFFFAOYSA-N 0 0 392.409 4.240 50 30 GIEARN N#Cc1ccc(C(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1 ZINC000065096720 136159038 /nfs/dbraw/zinc/15/90/38/136159038.db2.gz KLPQQINWINXFOD-QHCPKHFHSA-N 0 0 395.462 4.009 50 30 GIEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=S)N[C@@H]1c1ccc(C#N)cc1 ZINC000012553272 136200457 /nfs/dbraw/zinc/20/04/57/136200457.db2.gz ZMZIIUMCCXFLJU-HXUWFJFHSA-N 0 0 391.496 4.058 50 30 GIEARN CCOc1ccc([C@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000035366026 221819507 /nfs/dbraw/zinc/81/95/07/221819507.db2.gz XEOYUMVCLDBUCV-VABKMULXSA-N 0 0 383.451 4.201 50 30 GIEARN COc1cc2c(C(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])coc2c(C)c1 ZINC000016738400 518141228 /nfs/dbraw/zinc/14/12/28/518141228.db2.gz IUMFACFKZPRAQZ-ODLFYWEKSA-N 0 0 384.348 4.402 50 30 GIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1OC ZINC000036360435 518331105 /nfs/dbraw/zinc/33/11/05/518331105.db2.gz HJFPSYJEBFSIAP-QGZVFWFLSA-N 0 0 391.402 4.156 50 30 GIEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)C1CCCCC1 ZINC000100875285 518342481 /nfs/dbraw/zinc/34/24/81/518342481.db2.gz SQDLBTLZHVAHMT-ZPHPHTNESA-N 0 0 377.307 4.106 50 30 GIEARN CC(C)(C)C(=O)N1CCC(=NOCc2ccc(F)c(Br)c2)CC1 ZINC000054209847 518558015 /nfs/dbraw/zinc/55/80/15/518558015.db2.gz RSVYJHXVDMHYJW-UHFFFAOYSA-N 0 0 385.277 4.129 50 30 GIEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)CCCC ZINC000035767145 518746512 /nfs/dbraw/zinc/74/65/12/518746512.db2.gz VVOGHTCFFPBCLR-UHFFFAOYSA-N 0 0 386.467 4.152 50 30 GIEARN C=CCN(Cc1cccc(OCC)c1)C(=O)c1ccccc1-c1nccn1C ZINC000055132949 518783809 /nfs/dbraw/zinc/78/38/09/518783809.db2.gz MOEYJFLJARIJDM-UHFFFAOYSA-N 0 0 375.472 4.314 50 30 GIEARN C=CCN(Cc1ccccc1OC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000055107618 518788121 /nfs/dbraw/zinc/78/81/21/518788121.db2.gz YRWHTYJQSWTGFE-UHFFFAOYSA-N 0 0 389.499 4.385 50 30 GIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1C ZINC000017242412 518846083 /nfs/dbraw/zinc/84/60/83/518846083.db2.gz LAKOQJCNXOHSFQ-YQMDHOPXSA-N 0 0 397.475 4.280 50 30 GIEARN C=CCOc1ccc(-c2nc(C(=O)NCCc3ccc(OC)cc3)cs2)cc1 ZINC000034711692 519007905 /nfs/dbraw/zinc/00/79/05/519007905.db2.gz OHIWRKCTNGAKBM-UHFFFAOYSA-N 0 0 394.496 4.356 50 30 GIEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)c1C ZINC000033019230 519123017 /nfs/dbraw/zinc/12/30/17/519123017.db2.gz ZRFOJFPSVLBABN-UHFFFAOYSA-N 0 0 380.517 4.472 50 30 GIEARN C=CCc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(OC)c1 ZINC000012578523 519134764 /nfs/dbraw/zinc/13/47/64/519134764.db2.gz FFQSOBWQYBJDAG-LJQANCHMSA-N 0 0 391.471 4.043 50 30 GIEARN C=CCc1cccc2cc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c(=O)oc21 ZINC000004626100 519143607 /nfs/dbraw/zinc/14/36/07/519143607.db2.gz PMZYQBVFMLGJBV-MRXNPFEDSA-N 0 0 399.450 4.198 50 30 GIEARN C=CCc1ccccc1OC[C@@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000028297113 519147324 /nfs/dbraw/zinc/14/73/24/519147324.db2.gz XWBFUTJXHMMCPE-HNNXBMFYSA-N 0 0 376.378 4.224 50 30 GIEARN C=CCn1c(C)cc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c1C ZINC000008276833 519168682 /nfs/dbraw/zinc/16/86/82/519168682.db2.gz QELUSWSDVVUXOI-UHFFFAOYSA-N 0 0 375.852 4.058 50 30 GIEARN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)NC(C)(C)C ZINC000001104177 519192322 /nfs/dbraw/zinc/19/23/22/519192322.db2.gz OVAHVRHSBINBHL-UHFFFAOYSA-N 0 0 394.544 4.215 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1 ZINC000004286021 519211276 /nfs/dbraw/zinc/21/12/76/519211276.db2.gz XQBQXCLXHXCXSO-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 ZINC000000623101 519215296 /nfs/dbraw/zinc/21/52/96/519215296.db2.gz OXJAGNWGBFZRJK-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1C1CCCCC1 ZINC000004286525 519223474 /nfs/dbraw/zinc/22/34/74/519223474.db2.gz MSYDDHWLYBPASL-UHFFFAOYSA-N 0 0 381.505 4.114 50 30 GIEARN C=CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100703308 519262256 /nfs/dbraw/zinc/26/22/56/519262256.db2.gz BCAVYDUHJKECGD-JZJYNLBNSA-N 0 0 391.905 4.303 50 30 GIEARN CC(=O)C(=NNc1cc(C(N)=O)c(Cl)cc1Cl)Nc1ccc(C)cc1C ZINC000005024074 519353806 /nfs/dbraw/zinc/35/38/06/519353806.db2.gz NLCFPTXNBDYQSG-UHFFFAOYSA-N 0 0 393.274 4.136 50 30 GIEARN CC(C)Cn1cnc2c(c1=N)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000101114647 519528921 /nfs/dbraw/zinc/52/89/21/519528921.db2.gz XVOQPRAQPKJQKM-GOSISDBHSA-N 0 0 377.488 4.186 50 30 GIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182415 519747429 /nfs/dbraw/zinc/74/74/29/519747429.db2.gz IVXWWGFXGUVLBF-FBHDLOMBSA-N 0 0 391.423 4.125 50 30 GIEARN CCCCCCCC(=O)N(CC)CC(=O)c1c(C)c(C(=O)OC)n(CC)c1C ZINC000102991490 519961911 /nfs/dbraw/zinc/96/19/11/519961911.db2.gz HASPIEZNRPBSPC-UHFFFAOYSA-N 0 0 392.540 4.303 50 30 GIEARN CCCCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097949600 520014949 /nfs/dbraw/zinc/01/49/49/520014949.db2.gz LYUSDCRDKFOUMN-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCN(C(=O)c1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1)c1ccccc1 ZINC000096135658 520086179 /nfs/dbraw/zinc/08/61/79/520086179.db2.gz FLNOEPMNGMZEOA-KRWDZBQOSA-N 0 0 376.460 4.121 50 30 GIEARN CCCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000100182383 520206939 /nfs/dbraw/zinc/20/69/39/520206939.db2.gz WMOJWDXYYXNDCL-FBMGVBCBSA-N 0 0 382.279 4.011 50 30 GIEARN CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(C)c(C)c2)S1 ZINC000005546185 520472462 /nfs/dbraw/zinc/47/24/62/520472462.db2.gz ZJXYZVBRSKPVKH-RXULLKCLSA-N 0 0 395.528 4.256 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036258466 520537854 /nfs/dbraw/zinc/53/78/54/520537854.db2.gz IBAZAWIYDZJVNN-LICLKQGHSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036258392 520539189 /nfs/dbraw/zinc/53/91/89/520539189.db2.gz PCBUTHCAWFDEJV-FOWTUZBSSA-N 0 0 381.453 4.244 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000102627553 520556658 /nfs/dbraw/zinc/55/66/58/520556658.db2.gz HEVTVQBOSJKRHD-NHFXJNLRSA-N 0 0 379.456 4.225 50 30 GIEARN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000102983918 520639125 /nfs/dbraw/zinc/63/91/25/520639125.db2.gz APUBYPWWKNETJK-MPEHWXSUSA-N 0 0 387.545 4.270 50 30 GIEARN CCN(CC)CN1c2ccccc2/C(=N/c2cccc(C(F)(F)F)c2)C1=O ZINC000020608618 520714740 /nfs/dbraw/zinc/71/47/40/520714740.db2.gz FDROJKDHJQGXCW-MOHJPFBDSA-N 0 0 375.394 4.472 50 30 GIEARN CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000046088329 521028077 /nfs/dbraw/zinc/02/80/77/521028077.db2.gz DXGGTAMSYRWNJJ-HXUWFJFHSA-N 0 0 383.517 4.231 50 30 GIEARN CCOc1ccc(OCCON=C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000022420039 521177357 /nfs/dbraw/zinc/17/73/57/521177357.db2.gz JOBKLJZXBWYEPG-UHFFFAOYSA-N 0 0 397.475 4.165 50 30 GIEARN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002372449 521534270 /nfs/dbraw/zinc/53/42/70/521534270.db2.gz MSYNWCDKASEQCH-QGZVFWFLSA-N 0 0 380.492 4.207 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000002775215 521709860 /nfs/dbraw/zinc/70/98/60/521709860.db2.gz XBFNONSWWYZTPX-GOSISDBHSA-N 0 0 377.531 4.012 50 30 GIEARN CCc1cccc2c1NC(=O)/C2=C1\S/C(=N\c2ccc(C)c(Cl)c2)NC1=O ZINC000015015739 521797466 /nfs/dbraw/zinc/79/74/66/521797466.db2.gz QNGXWSCGIBSQEZ-ICFOKQHNSA-N 0 0 397.887 4.425 50 30 GIEARN COc1cc(C=C2SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OCC#N ZINC000097990634 521957247 /nfs/dbraw/zinc/95/72/47/521957247.db2.gz FYFMKHHAMKHCRJ-XDHOZWIPSA-N 0 0 393.468 4.297 50 30 GIEARN CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 ZINC000005155945 521974571 /nfs/dbraw/zinc/97/45/71/521974571.db2.gz KMYJZZYUKPVEBK-DHZHZOJOSA-N 0 0 384.284 4.140 50 30 GIEARN COc1cc(/C=C\C(=O)Nc2nc3c(cccc3C)s2)ccc1OCC#N ZINC000033470001 521978822 /nfs/dbraw/zinc/97/88/22/521978822.db2.gz JPDAAQBWEHBNGK-CLFYSBASSA-N 0 0 379.441 4.168 50 30 GIEARN COc1cc(/C=C\C(=O)OCc2cccc(C(F)(F)F)c2)ccc1OCC#N ZINC000033677438 521981895 /nfs/dbraw/zinc/98/18/95/521981895.db2.gz HIEFLIROKPVVTE-VURMDHGXSA-N 0 0 391.345 4.373 50 30 GIEARN COc1cc(C(=O)/C=C\c2cnc(-c3ccccc3)nc2)cc(OC)c1OC ZINC000096308914 522051270 /nfs/dbraw/zinc/05/12/70/522051270.db2.gz MIBRDMHEPBOXCC-KTKRTIGZSA-N 0 0 376.412 4.066 50 30 GIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000013136005 522276343 /nfs/dbraw/zinc/27/63/43/522276343.db2.gz ROHGXJVVLVRSCT-BMIGLBTASA-N 0 0 387.530 4.287 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3cccc(OC)c3OC)cc2c1C ZINC000024825358 522434171 /nfs/dbraw/zinc/43/41/71/522434171.db2.gz UWUIGHWIGSIGEK-CMDGGOBGSA-N 0 0 397.452 4.305 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccs1 ZINC000019798497 522882390 /nfs/dbraw/zinc/88/23/90/522882390.db2.gz VAFCCRUOBMQJCG-BUXKBTBVSA-N 0 0 385.510 4.344 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000019798649 522883419 /nfs/dbraw/zinc/88/34/19/522883419.db2.gz SVGAPJSSFZVHQU-VGSWGCGISA-N 0 0 391.442 4.360 50 30 GIEARN COc1cc2c(cc1OC)S(=O)(=O)OC(c1ccccc1)=C2c1ccccc1 ZINC000019899223 523034211 /nfs/dbraw/zinc/03/42/11/523034211.db2.gz IRRGPNBOQUTPHJ-UHFFFAOYSA-N 0 0 394.448 4.339 50 30 GIEARN COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCCCC#N)cc1 ZINC000021712523 523238574 /nfs/dbraw/zinc/23/85/74/523238574.db2.gz UBNJLCULUMKUIP-SDNWHVSQSA-N 0 0 387.439 4.408 50 30 GIEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000239038590 523257071 /nfs/dbraw/zinc/25/70/71/523257071.db2.gz DMTQHSLTEBUADC-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)c2cc(OC)ccc21 ZINC000020648622 523304516 /nfs/dbraw/zinc/30/45/16/523304516.db2.gz JSEPUGKHDQIZFO-UFFVCSGVSA-N 0 0 392.455 4.053 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)cc1 ZINC000016810043 523423462 /nfs/dbraw/zinc/42/34/62/523423462.db2.gz AEICCBTYWNLBIQ-BKUYFWCQSA-N 0 0 379.456 4.249 50 30 GIEARN COc1ccc(C(=O)/C=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)c1 ZINC000006641318 523538154 /nfs/dbraw/zinc/53/81/54/523538154.db2.gz SCWSCMBBZGPLLR-YRNVUSSQSA-N 0 0 396.443 4.498 50 30 GIEARN COc1ccc(C(=O)/C=C\c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000096766208 523544124 /nfs/dbraw/zinc/54/41/24/523544124.db2.gz ZDGQJONTKMYMAW-YWEYNIOJSA-N 0 0 377.234 4.371 50 30 GIEARN CCn1nc(C)c(/C=C\C(=O)c2ccc(I)cc2)c1C ZINC000096594415 523620643 /nfs/dbraw/zinc/62/06/43/523620643.db2.gz VIXNNFLPGMNGBR-KTKRTIGZSA-N 0 0 380.229 4.021 50 30 GIEARN COc1ccc(CN2COc3ccc4c(c3C2)O/C(=C\c2ccco2)C4=O)cc1 ZINC000020624828 524040819 /nfs/dbraw/zinc/04/08/19/524040819.db2.gz KQXUPPFXJPFWDO-NHDPSOOVSA-N 0 0 389.407 4.257 50 30 GIEARN Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3ccc(CC#N)cc3)cc2)c1 ZINC000032739527 524218195 /nfs/dbraw/zinc/21/81/95/524218195.db2.gz GTLHUBQVNQOGBW-UHFFFAOYSA-N 0 0 399.450 4.331 50 30 GIEARN COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1cccc(Cl)c1 ZINC000003356971 524630645 /nfs/dbraw/zinc/63/06/45/524630645.db2.gz FMVMTOZXHCPPAZ-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000019833398 525065140 /nfs/dbraw/zinc/06/51/40/525065140.db2.gz OZHHSOFAAMMZTK-HZHRSRAPSA-N 0 0 395.528 4.345 50 30 GIEARN COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000009348908 525227278 /nfs/dbraw/zinc/22/72/78/525227278.db2.gz JIMRNSVFPBQRSP-QKFKETGDSA-N 0 0 376.456 4.468 50 30 biogenic,in-vitro GIEARN Cc1ccc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)cc1C ZINC000004603722 525397760 /nfs/dbraw/zinc/39/77/60/525397760.db2.gz GLUDJYLBXXXFSA-UHFFFAOYSA-N 0 0 381.259 4.047 50 30 GIEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N/Cc3ccccc3)N(C)C1=O)S2 ZINC000103722500 525546367 /nfs/dbraw/zinc/54/63/67/525546367.db2.gz YELZBWJBIWSDCS-OWIKPASBSA-N 0 0 397.525 4.168 50 30 GIEARN Cc1c(CCC#N)n2ccccc2c1C(=O)COC(=O)c1ccc(Cl)cc1 ZINC000003240496 525696596 /nfs/dbraw/zinc/69/65/96/525696596.db2.gz GSSQJQBXSBQTML-UHFFFAOYSA-N 0 0 380.831 4.397 50 30 GIEARN COc1cccc(/C=C2\CN(C(C)C)C/C(=C\c3cccc(OC)c3)C2=O)c1 ZINC000034107287 525766322 /nfs/dbraw/zinc/76/63/22/525766322.db2.gz LWZRQFHVPQPEFT-HGEIODPWSA-N 0 0 377.484 4.464 50 30 GIEARN COc1cccc(C(=O)O/N=C(\C)c2sc3nc4ccccc4n3c2C)c1 ZINC000001398767 525837854 /nfs/dbraw/zinc/83/78/54/525837854.db2.gz BGVCOTNITXPSGB-WSDLNYQXSA-N 0 0 379.441 4.447 50 30 GIEARN Cc1c([C@@H]2CC(=C3C(=O)C=C(C)OC3=O)Nc3ccccc3N2)cnn1C(C)C ZINC000101942070 525905801 /nfs/dbraw/zinc/90/58/01/525905801.db2.gz QCECODXXUBJUEF-LDSGZGKSSA-N 0 0 392.459 4.025 50 30 GIEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000241170985 526002808 /nfs/dbraw/zinc/00/28/08/526002808.db2.gz KDHPHUQYGIQPGP-VVLHAWIVSA-N 0 0 384.549 4.371 50 30 GIEARN C[C@H](Sc1nnc(NC(C)(C)C)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000032608070 526015466 /nfs/dbraw/zinc/01/54/66/526015466.db2.gz MDQFNPMNPYWPEC-ZDUSSCGKSA-N 0 0 389.550 4.176 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)o1 ZINC000000637339 526023925 /nfs/dbraw/zinc/02/39/25/526023925.db2.gz WGZLEZZPENIEJC-FQEVSTJZSA-N 0 0 388.423 4.070 50 30 GIEARN CSc1nncn1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611409 526229827 /nfs/dbraw/zinc/22/98/27/526229827.db2.gz DZYPAIPMQARKLT-FBCYGCLPSA-N 0 0 383.260 4.361 50 30 GIEARN Cc1ccc2nc(NC(=N)NC(=O)COc3ccc(Cl)cc3)nc(C)c2c1 ZINC000036489953 526253093 /nfs/dbraw/zinc/25/30/93/526253093.db2.gz MTKQKXVHOMJWSZ-UHFFFAOYSA-N 0 0 383.839 4.282 50 30 GIEARN Cc1csc(C2=C(N)N(CCC(c3ccccc3)c3ccccc3)CC2=O)n1 ZINC000013728437 526327673 /nfs/dbraw/zinc/32/76/73/526327673.db2.gz YRWYEMBWKWNEOA-UHFFFAOYSA-N 0 0 389.524 4.186 50 30 GIEARN Fc1ccc(Nc2nc(N=NCc3ccccc3)nc(N3CCCCC3)n2)cc1 ZINC000004474689 526355860 /nfs/dbraw/zinc/35/58/60/526355860.db2.gz WLSGCPDSUYBAHT-HZHRSRAPSA-N 0 0 391.454 4.191 50 30 GIEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C2CC2)[C@H]1c1ccc(F)cc1 ZINC000101817373 526430300 /nfs/dbraw/zinc/43/03/00/526430300.db2.gz JXXIPFXSLCWZLE-YPAWHYETSA-N 0 0 383.426 4.206 50 30 GIEARN N#CCCN(C(=O)COc1ccc(F)cc1Br)c1ccc(F)cc1 ZINC000006602274 526451154 /nfs/dbraw/zinc/45/11/54/526451154.db2.gz DDEQUXUPZNUEFA-UHFFFAOYSA-N 0 0 395.203 4.053 50 30 GIEARN Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321223 526675430 /nfs/dbraw/zinc/67/54/30/526675430.db2.gz HBPBIMCDUIXEDG-SPLOXXLWSA-N 0 0 388.423 4.352 50 30 GIEARN C=CCOc1ccc(/C=C\C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000096991181 526835600 /nfs/dbraw/zinc/83/56/00/526835600.db2.gz IALNLTYFXRSUPE-AUWJEWJLSA-N 0 0 376.456 4.139 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)sc1C ZINC000102799861 526961531 /nfs/dbraw/zinc/96/15/31/526961531.db2.gz KFZWSPWPPPRAHK-IBOXJLQUSA-N 0 0 396.493 4.448 50 30 GIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000009316556 527024963 /nfs/dbraw/zinc/02/49/63/527024963.db2.gz JBICXHVGLXVNNF-RBZFPXEDSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000016974062 527033100 /nfs/dbraw/zinc/03/31/00/527033100.db2.gz INYSTSIHESUIHZ-ZUOKHONESA-N 0 0 392.846 4.053 50 30 GIEARN O=C1c2ccccc2S(=O)(=O)C/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000096400365 527136059 /nfs/dbraw/zinc/13/60/59/527136059.db2.gz LKQSRXCOJHIISR-RGEXLXHISA-N 0 0 390.460 4.319 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cn1 ZINC000245238741 527144468 /nfs/dbraw/zinc/14/44/68/527144468.db2.gz AKMGOLMVBIBATQ-SRAQTTBSSA-N 0 0 382.548 4.386 50 30 GIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1cccs1 ZINC000064874165 527400628 /nfs/dbraw/zinc/40/06/28/527400628.db2.gz FYXYRMOTVKMGEW-IBGZPJMESA-N 0 0 390.468 4.219 50 30 GIEARN Cc1nn(C)c(C)c1[C@H](C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741179 527661075 /nfs/dbraw/zinc/66/10/75/527661075.db2.gz YQDXQABCJVFSIE-UFBFGSQYSA-N 0 0 384.789 4.084 50 30 GIEARN CCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097944163 528127650 /nfs/dbraw/zinc/12/76/50/528127650.db2.gz WYKDQOVHTKYAAW-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCCSC1=N/C(=C\c2cc(OC)c(OC(C)=O)cc2Cl)C(=O)S1 ZINC000004914283 528823048 /nfs/dbraw/zinc/82/30/48/528823048.db2.gz ARRZTMTYJVXQEH-SDQBBNPISA-N 0 0 385.894 4.387 50 30 GIEARN O=C(N=C(NCc1ccccn1)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000046126344 570209911 /nfs/dbraw/zinc/20/99/11/570209911.db2.gz ARAPLAUAUVJBRJ-UHFFFAOYSA-N 0 0 382.826 4.272 50 30 GIEARN CCc1cccc(NC(=NC(=O)c2cccc(OC)c2)NCc2cccnc2)c1 ZINC000046127803 570210474 /nfs/dbraw/zinc/21/04/74/570210474.db2.gz RGUFKTQZXTYWTD-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN O=C(N=C(NCc1cccnc1)Nc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000046128117 570210479 /nfs/dbraw/zinc/21/04/79/570210479.db2.gz NYDOPLOMXKUVEJ-UHFFFAOYSA-N 0 0 382.826 4.272 50 30 GIEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(F)c2)cc1C ZINC000046128159 570210557 /nfs/dbraw/zinc/21/05/57/570210557.db2.gz JUUFXOYIGZHUPC-UHFFFAOYSA-N 0 0 376.435 4.236 50 30 GIEARN O=C(N=C(NCc1cccnc1)Nc1cccc(F)c1)c1ccc(Cl)cc1 ZINC000046128151 570210571 /nfs/dbraw/zinc/21/05/71/570210571.db2.gz HBHQQECMYVZAAC-UHFFFAOYSA-N 0 0 382.826 4.272 50 30 GIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)c(C)c2)c1 ZINC000046127378 570210581 /nfs/dbraw/zinc/21/05/81/570210581.db2.gz DMMVKPYGMHLNEK-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NC[C@H]1CCCO1 ZINC000046129089 570210822 /nfs/dbraw/zinc/21/08/22/570210822.db2.gz VIDHSUWUBBEFRA-LJQANCHMSA-N 0 0 395.503 4.079 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)cc1 ZINC000046129714 570211169 /nfs/dbraw/zinc/21/11/69/570211169.db2.gz VWVLMHYYYCQWMM-NRFANRHFSA-N 0 0 379.504 4.243 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000709944 570219287 /nfs/dbraw/zinc/21/92/87/570219287.db2.gz DGDYPHRDGIZXOY-QHCPKHFHSA-N 0 0 391.467 4.342 50 30 GIEARN CCOc1cc(/C=C/C(=O)c2ccc(OCCOC)cc2)cc(Cl)c1O ZINC000044027671 570229696 /nfs/dbraw/zinc/22/96/96/570229696.db2.gz IOWNPFKXVLPSJA-RUDMXATFSA-N 0 0 376.836 4.366 50 30 GIEARN C#CCN(C(=O)c1csc2nc(-c3ccccc3OC)cn12)C1CCCCC1 ZINC000011820142 570234172 /nfs/dbraw/zinc/23/41/72/570234172.db2.gz XFFMPSLRUBUSJP-UHFFFAOYSA-N 0 0 393.512 4.480 50 30 GIEARN C=CCN(C(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000012793263 570238477 /nfs/dbraw/zinc/23/84/77/570238477.db2.gz CEZYOAQGIGEFRP-NRFANRHFSA-N 0 0 392.499 4.204 50 30 GIEARN C=CCn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccoc1C ZINC000012971460 570239953 /nfs/dbraw/zinc/23/99/53/570239953.db2.gz OZJGKUIXPGBTRO-UHFFFAOYSA-N 0 0 386.521 4.131 50 30 GIEARN CCOC(=O)c1ccc(NC(=Nc2ccc(F)cc2)n2sc(C)cc2=N)cc1 ZINC000020168783 570245648 /nfs/dbraw/zinc/24/56/48/570245648.db2.gz ALFYNHRUIMDBSS-UHFFFAOYSA-N 0 0 398.463 4.301 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccc(OC)c1 ZINC000002447444 570253011 /nfs/dbraw/zinc/25/30/11/570253011.db2.gz FSBJDCIWOSEXBS-UHFFFAOYSA-N 0 0 383.448 4.254 50 30 GIEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)O3)C1 ZINC000020533325 570265295 /nfs/dbraw/zinc/26/52/95/570265295.db2.gz OJSCKPWZPIBZSG-GNKPEBMXSA-N 0 0 394.427 4.149 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 ZINC000115012878 570274116 /nfs/dbraw/zinc/27/41/16/570274116.db2.gz NAYMQBHIMDDVPC-UHFFFAOYSA-N 0 0 385.471 4.213 50 30 GIEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC ZINC000002229831 570279777 /nfs/dbraw/zinc/27/97/77/570279777.db2.gz YZWUCSSBCZGUFM-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000020849331 570282114 /nfs/dbraw/zinc/28/21/14/570282114.db2.gz PPIYFMVBVWYMSE-GFMRDNFCSA-N 0 0 386.354 4.122 50 30 GIEARN COc1cc(C#N)cc(Cl)c1OCc1ccccc1I ZINC000004825752 570283917 /nfs/dbraw/zinc/28/39/17/570283917.db2.gz QDDZEWPCPJWSFF-UHFFFAOYSA-N 0 0 399.615 4.404 50 30 GIEARN C=CCSc1nnc(NC(=O)c2ccc(COCC(F)(F)F)cc2)s1 ZINC000021586077 570285886 /nfs/dbraw/zinc/28/58/86/570285886.db2.gz GNCBYCAYJKCATG-UHFFFAOYSA-N 0 0 389.424 4.147 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000021123993 570288371 /nfs/dbraw/zinc/28/83/71/570288371.db2.gz ZRFYZCMMEDFFJW-CQSZACIVSA-N 0 0 382.304 4.157 50 30 GIEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000002603084 570292301 /nfs/dbraw/zinc/29/23/01/570292301.db2.gz PFJJDGMZOHUBLL-INIZCTEOSA-N 0 0 389.879 4.219 50 30 GIEARN CN(C)/C=N/n1cnc2scc(-c3ccc(Cc4ccccc4)cc3)c2c1=O ZINC000002679594 570294847 /nfs/dbraw/zinc/29/48/47/570294847.db2.gz LTYWOFAXIBUOJK-BUVRLJJBSA-N 0 0 388.496 4.069 50 30 GIEARN COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000015952879 570299629 /nfs/dbraw/zinc/29/96/29/570299629.db2.gz QGHJYGWAKYAHDK-FQEVSTJZSA-N 0 0 389.407 4.067 50 30 GIEARN CC1=C(C(=O)C=Cc2ccc(N(C)C)cc2)[C@@H](c2ccccc2)NC(=O)N1C ZINC000012324388 570314318 /nfs/dbraw/zinc/31/43/18/570314318.db2.gz MGUSQTUZCATBIP-OWSFEGEDSA-N 0 0 375.472 4.005 50 30 GIEARN O=[N+]([O-])c1cccc(/C=N/[C@@H]2CCCC[C@@H]2/N=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000100172730 570320875 /nfs/dbraw/zinc/32/08/75/570320875.db2.gz BUVWLXJOISQWFF-SMZUSBAVSA-N 0 0 380.404 4.352 50 30 GIEARN C=CCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(CCCC)C1=O ZINC000100176309 570321248 /nfs/dbraw/zinc/32/12/48/570321248.db2.gz MTNJDMYVOKTMIJ-ACCUITESSA-N 0 0 396.274 4.066 50 30 GIEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 ZINC000011689720 570327664 /nfs/dbraw/zinc/32/76/64/570327664.db2.gz BSWUGTZLUADDFH-RSFOSLOZSA-N 0 0 375.856 4.033 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000003094369 570328043 /nfs/dbraw/zinc/32/80/43/570328043.db2.gz MDNGQPZQNCRTPV-FQEVSTJZSA-N 0 0 383.488 4.252 50 30 GIEARN N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399461 570350055 /nfs/dbraw/zinc/35/00/55/570350055.db2.gz JVEQCUJPLDRMIX-UHFFFAOYSA-N 0 0 386.430 4.045 50 30 GIEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1OC ZINC000004867930 570350956 /nfs/dbraw/zinc/35/09/56/570350956.db2.gz IMEFZHIKHFAFAT-CSKARUKUSA-N 0 0 387.439 4.297 50 30 GIEARN CCOC(=O)c1sc2nccc(OC)c2c1NC=NOCc1ccccc1 ZINC000004002349 570354153 /nfs/dbraw/zinc/35/41/53/570354153.db2.gz BMVHXXHDGCUUBY-UHFFFAOYSA-N 0 0 385.445 4.054 50 30 GIEARN COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1 ZINC000004880859 570354524 /nfs/dbraw/zinc/35/45/24/570354524.db2.gz NIKQJGYEANXGOL-UHFFFAOYSA-N 0 0 379.441 4.414 50 30 GIEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 ZINC000004060194 570355974 /nfs/dbraw/zinc/35/59/74/570355974.db2.gz FDLGUAHFJANOKY-OAQYLSRUSA-N 0 0 383.488 4.395 50 30 GIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898321 570359098 /nfs/dbraw/zinc/35/90/98/570359098.db2.gz ZSQAYGRPPVGMCI-JOHJSAGNSA-N 0 0 385.464 4.078 50 30 GIEARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000023547393 570365283 /nfs/dbraw/zinc/36/52/83/570365283.db2.gz XQJDYLIVGADEPY-JOCHJYFZSA-N 0 0 390.512 4.235 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000004920142 570366406 /nfs/dbraw/zinc/36/64/06/570366406.db2.gz ZJAXURBEKXUMHH-REWPJTCUSA-N 0 0 394.467 4.332 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(Br)s1 ZINC000012348085 570370937 /nfs/dbraw/zinc/37/09/37/570370937.db2.gz MVPKHLRITSCELW-GFCCVEGCSA-N 0 0 394.294 4.140 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000024284788 570381859 /nfs/dbraw/zinc/38/18/59/570381859.db2.gz ZQEICSMGYNFIEM-UHFFFAOYSA-N 0 0 396.438 4.057 50 30 GIEARN O=C1N/C(=N/N=C\c2cccs2)S[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000004567562 570384936 /nfs/dbraw/zinc/38/49/36/570384936.db2.gz HEGIRXVLVLQKLJ-KURMNSRBSA-N 0 0 384.313 4.219 50 30 GIEARN CCOc1cc(/C=C2/C(C)=NN(c3ccc(C)cc3)C2=O)ccc1OCC#N ZINC000004613901 570387647 /nfs/dbraw/zinc/38/76/47/570387647.db2.gz BXJFHWUSUZXVCU-UYRXBGFRSA-N 0 0 375.428 4.102 50 30 GIEARN CCSC1=N/C(=C\c2cc(Br)c(OC)c(OC)c2)C(=O)S1 ZINC000004755146 570403300 /nfs/dbraw/zinc/40/33/00/570403300.db2.gz LYBQBKJGCWNKGB-POHAHGRESA-N 0 0 388.308 4.190 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@@H]1CCCN21 ZINC000222013006 570405640 /nfs/dbraw/zinc/40/56/40/570405640.db2.gz YJIXINHNAUQTTF-URXFXBBRSA-N 0 0 394.482 4.044 50 30 GIEARN COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000024976625 570412363 /nfs/dbraw/zinc/41/23/63/570412363.db2.gz NLUSAFHXZBYNRO-ZDUSSCGKSA-N 0 0 384.501 4.333 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)cc1OC ZINC000004915375 570417786 /nfs/dbraw/zinc/41/77/86/570417786.db2.gz NKPUSJACIYBNEY-QZTJIDSGSA-N 0 0 391.467 4.017 50 30 GIEARN CCCSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 ZINC000004914871 570417788 /nfs/dbraw/zinc/41/77/88/570417788.db2.gz OUHLAWOTJIHAFI-WMZJFQQLSA-N 0 0 386.292 4.291 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC)cc1 ZINC000004993369 570421990 /nfs/dbraw/zinc/42/19/90/570421990.db2.gz NDNBSDPIFPSRFV-FQEVSTJZSA-N 0 0 389.451 4.217 50 30 GIEARN CC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(F)cc2)c2ccccc2)cc1 ZINC000004998578 570422760 /nfs/dbraw/zinc/42/27/60/570422760.db2.gz KDCBFQQSATUOSE-UHFFFAOYSA-N 0 0 396.443 4.276 50 30 GIEARN O=C(c1ccccc1)C1=CN(c2ccccc2)c2cc(F)ccc2S1(=O)=O ZINC000032950894 570423762 /nfs/dbraw/zinc/42/37/62/570423762.db2.gz VKSSEDPHIXYDCG-UHFFFAOYSA-N 0 0 379.412 4.475 50 30 GIEARN C/C(=N/N=C1\NC(=O)[C@H](Cc2cccc(Cl)c2)S1)c1ccc(F)cc1 ZINC000005047552 570425930 /nfs/dbraw/zinc/42/59/30/570425930.db2.gz UEFSTJZORAACHQ-VBHHZLGVSA-N 0 0 375.856 4.033 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005094915 570428863 /nfs/dbraw/zinc/42/88/63/570428863.db2.gz YZCQYKMDZMEFHQ-OAQYLSRUSA-N 0 0 395.499 4.482 50 30 GIEARN Cc1[nH]nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c1C ZINC000142676445 570431208 /nfs/dbraw/zinc/43/12/08/570431208.db2.gz ICDQFUFDAFKCAX-UHFFFAOYSA-N 0 0 384.483 4.422 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000005408986 570438513 /nfs/dbraw/zinc/43/85/13/570438513.db2.gz JYSTTYUZXWSDLJ-KKSFZXQISA-N 0 0 393.483 4.078 50 30 GIEARN N#Cc1ccsc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000005705299 570451794 /nfs/dbraw/zinc/45/17/94/570451794.db2.gz PKSWFWGCWIEQQD-UHFFFAOYSA-N 0 0 377.800 4.418 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001919 570463920 /nfs/dbraw/zinc/46/39/20/570463920.db2.gz ZHEMLQJZRVXGTE-HNNXBMFYSA-N 0 0 399.491 4.222 50 30 GIEARN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713384 570478512 /nfs/dbraw/zinc/47/85/12/570478512.db2.gz FHYSSCOTHPGCTN-CZUORRHYSA-N 0 0 392.409 4.195 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000253430675 570483357 /nfs/dbraw/zinc/48/33/57/570483357.db2.gz FPFPYTJHFVKISD-IRLDBZIGSA-N 0 0 380.440 4.023 50 30 GIEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)cc1 ZINC000006677838 570487571 /nfs/dbraw/zinc/48/75/71/570487571.db2.gz NMNWZWOOKGSONK-SFHVURJKSA-N 0 0 398.532 4.447 50 30 GIEARN N#Cc1ccsc1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000005183653 570497064 /nfs/dbraw/zinc/49/70/64/570497064.db2.gz VFCIIUQNKQUAHM-UHFFFAOYSA-N 0 0 394.525 4.415 50 30 GIEARN Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccccc1Br ZINC000005450553 570500095 /nfs/dbraw/zinc/50/00/95/570500095.db2.gz PKUMWODTLGLNFX-GIJQJNRQSA-N 0 0 377.242 4.391 50 30 GIEARN N#C[C@H](C(N)=O)[C@H](SCc1ccccc1)c1ccc(Br)cc1 ZINC000023549808 570541936 /nfs/dbraw/zinc/54/19/36/570541936.db2.gz VIXPFPDPFIOCJJ-JKSUJKDBSA-N 0 0 375.291 4.049 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009014814 570546963 /nfs/dbraw/zinc/54/69/63/570546963.db2.gz XPXQHCLLKNETHA-IBGZPJMESA-N 0 0 383.419 4.213 50 30 GIEARN CCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005323816 570553385 /nfs/dbraw/zinc/55/33/85/570553385.db2.gz QWERSAGBOIHMAR-JTSKRJEESA-N 0 0 386.455 4.093 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(Cc4ccccc4)nc3c2[C@H]1c1ccccc1 ZINC000005351703 570559259 /nfs/dbraw/zinc/55/92/59/570559259.db2.gz BEQXREGMMATMGD-NRFANRHFSA-N 0 0 396.450 4.102 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cccs4)nc3c2[C@@H]1c1ccccc1 ZINC000005347520 570561919 /nfs/dbraw/zinc/56/19/19/570561919.db2.gz VEYVLEOZPWPYKQ-QGZVFWFLSA-N 0 0 388.452 4.240 50 30 GIEARN N#Cc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984120 570572482 /nfs/dbraw/zinc/57/24/82/570572482.db2.gz WEQUFWIPYKXBKF-UHFFFAOYSA-N 0 0 386.432 4.208 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1cccs1 ZINC000005408228 570585952 /nfs/dbraw/zinc/58/59/52/570585952.db2.gz FSUTWRVEACIHOV-GOSISDBHSA-N 0 0 391.496 4.428 50 30 GIEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@H]1c1ccco1 ZINC000005416226 570588446 /nfs/dbraw/zinc/58/84/46/570588446.db2.gz GFXXJTHGSNYVOU-NQIIRXRSSA-N 0 0 377.469 4.293 50 30 GIEARN Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)CC#N)c2=S)cc1 ZINC000060296212 570588881 /nfs/dbraw/zinc/58/88/81/570588881.db2.gz DRVZLCQSPFIBEJ-UHFFFAOYSA-N 0 0 383.908 4.445 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000006786580 570591719 /nfs/dbraw/zinc/59/17/19/570591719.db2.gz XMYCVURDSVPWAD-NRFANRHFSA-N 0 0 385.419 4.478 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 ZINC000006813001 570617208 /nfs/dbraw/zinc/61/72/08/570617208.db2.gz SAEFVKCRTNJESL-FQEVSTJZSA-N 0 0 389.407 4.072 50 30 GIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000033011221 570624198 /nfs/dbraw/zinc/62/41/98/570624198.db2.gz YCGLHAIFXYDMFR-UHFFFAOYSA-N 0 0 393.443 4.499 50 30 GIEARN Cn1ccc(C(=O)/C=C\c2ccc(COc3ccc(Br)cc3)o2)n1 ZINC000006828252 570625541 /nfs/dbraw/zinc/62/55/41/570625541.db2.gz VZHNDSDCOOXCMJ-HJWRWDBZSA-N 0 0 387.233 4.251 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3)C2)cc1 ZINC000012390010 570641269 /nfs/dbraw/zinc/64/12/69/570641269.db2.gz PWVOBNSEFYTWPE-QRWLVFNGSA-N 0 0 388.427 4.058 50 30 GIEARN COc1c(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cccc1[N+](=O)[O-] ZINC000005558283 570641853 /nfs/dbraw/zinc/64/18/53/570641853.db2.gz AJZSDZUZDNNHMY-NTEUORMPSA-N 0 0 389.820 4.148 50 30 GIEARN N#Cc1c(=O)n2c(nc1-c1ccc(F)cc1)SCN(c1ccc(Cl)cc1)C2 ZINC000013690191 570668508 /nfs/dbraw/zinc/66/85/08/570668508.db2.gz KPBOVISHUAEBAS-UHFFFAOYSA-N 0 0 398.850 4.102 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006908059 570698751 /nfs/dbraw/zinc/69/87/51/570698751.db2.gz WUZYHCIBWFMTGI-FQEVSTJZSA-N 0 0 388.423 4.328 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000006909402 570699130 /nfs/dbraw/zinc/69/91/30/570699130.db2.gz NYMMVGDNZRMRPC-SFHVURJKSA-N 0 0 382.464 4.384 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000006909868 570699208 /nfs/dbraw/zinc/69/92/08/570699208.db2.gz SNVCCFWDTHJBMO-WDEREUQCSA-N 0 0 399.347 4.437 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012787441 570712440 /nfs/dbraw/zinc/71/24/40/570712440.db2.gz RBQJVKJALBHDOJ-QFIPXVFZSA-N 0 0 392.528 4.314 50 30 GIEARN COc1cccc(N2OC(=O)[C@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1 ZINC000058201537 570718873 /nfs/dbraw/zinc/71/88/73/570718873.db2.gz QSPHXWUAAIJLIW-HNNXBMFYSA-N 0 0 381.215 4.073 50 30 GIEARN N#Cc1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 ZINC000032666451 570731816 /nfs/dbraw/zinc/73/18/16/570731816.db2.gz CMNZJPWXTSVPDG-UHFFFAOYSA-N 0 0 387.395 4.436 50 30 GIEARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000000971742 570740784 /nfs/dbraw/zinc/74/07/84/570740784.db2.gz NGSZNBRRZZXLRD-OAQYLSRUSA-N 0 0 383.451 4.323 50 30 GIEARN COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc(Br)c1O ZINC000013021270 570742321 /nfs/dbraw/zinc/74/23/21/570742321.db2.gz RIQSMTSMXAAJBX-IZZDOVSWSA-N 0 0 393.208 4.351 50 30 GIEARN N#Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000007035963 570756670 /nfs/dbraw/zinc/75/66/70/570756670.db2.gz FBJRXZAPIYVTLY-UHFFFAOYSA-N 0 0 390.826 4.460 50 30 GIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000004435986 570767642 /nfs/dbraw/zinc/76/76/42/570767642.db2.gz AKFAWBQEIQCKRJ-KPZWWZAWSA-N 0 0 382.876 4.409 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2ccc(OCC)c(Cl)c2)c(C#N)c1C ZINC000004454706 570785094 /nfs/dbraw/zinc/78/50/94/570785094.db2.gz JBJMRABCHNTHNX-UHFFFAOYSA-N 0 0 392.864 4.409 50 30 GIEARN COc1cc([C@H](C)NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccncc1 ZINC000046672038 570796390 /nfs/dbraw/zinc/79/63/90/570796390.db2.gz SLFNQUBTCFGVAP-INIZCTEOSA-N 0 0 387.439 4.032 50 30 GIEARN COc1ccccc1Nc1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000005884366 570800991 /nfs/dbraw/zinc/80/09/91/570800991.db2.gz JQRVEAJSDZUECC-UHFFFAOYSA-N 0 0 379.441 4.111 50 30 GIEARN CCc1cc(NC(=O)c2cccc(Br)c2)nn1-c1ccc(C#N)cc1 ZINC000034907297 570808241 /nfs/dbraw/zinc/80/82/41/570808241.db2.gz LRCAMJGGUPFXRC-UHFFFAOYSA-N 0 0 395.260 4.321 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)N(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000007186487 570811534 /nfs/dbraw/zinc/81/15/34/570811534.db2.gz 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COc1ccccc1/N=C1\NN=C(c2cc(C)n(C[C@@H]3CCCO3)c2C)CS1 ZINC000007849586 817936345 /nfs/dbraw/zinc/93/63/45/817936345.db2.gz BYQZGOAVEZVBMT-INIZCTEOSA-N 0 0 398.532 4.021 50 30 GIEARN N#CCCn1cc(/C=C/C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc21 ZINC000007977820 817973309 /nfs/dbraw/zinc/97/33/09/817973309.db2.gz YXIPGAHFWMUPDB-RMKNXTFCSA-N 0 0 378.363 4.254 50 30 GIEARN COc1cc(/C=C2\CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCCO2 ZINC000012769027 818181196 /nfs/dbraw/zinc/18/11/96/818181196.db2.gz OUMVQGKXEAQOKO-CZCYGEDCSA-N 0 0 393.395 4.205 50 30 GIEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000012795743 818181912 /nfs/dbraw/zinc/18/19/12/818181912.db2.gz FPBSPVYRLTUAHD-ZDUSSCGKSA-N 0 0 395.484 4.175 50 30 GIEARN N#Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1Cl ZINC000013005061 818199982 /nfs/dbraw/zinc/19/99/82/818199982.db2.gz YRQXRJFUQHJVSN-RMKNXTFCSA-N 0 0 393.874 4.102 50 30 GIEARN O=C1c2ccccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccccc1 ZINC000020558850 818624939 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C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000018206214 208803282 /nfs/dbraw/zinc/80/32/82/208803282.db2.gz NPYYMLOMHCLPCE-QGZVFWFLSA-N 0 0 398.256 4.213 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 ZINC000002977415 208937886 /nfs/dbraw/zinc/93/78/86/208937886.db2.gz MMQFBLLJAPJRKP-GOSISDBHSA-N 0 0 392.440 4.049 50 30 GIEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000238937278 209017948 /nfs/dbraw/zinc/01/79/48/209017948.db2.gz UXIYKGDULHCLNU-UHFFFAOYSA-N 0 0 379.224 4.353 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c1C ZINC000007798884 221012901 /nfs/dbraw/zinc/01/29/01/221012901.db2.gz PWCCLLHEVSFJQO-UHFFFAOYSA-N 0 0 393.516 4.254 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1cccc(OCC)c1 ZINC000012063458 221147133 /nfs/dbraw/zinc/14/71/33/221147133.db2.gz KYKKJWSBZGQDNE-QFIPXVFZSA-N 0 0 389.455 4.221 50 30 GIEARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000040067630 132393539 /nfs/dbraw/zinc/39/35/39/132393539.db2.gz GBSYZDTXXZFGLA-FQEVSTJZSA-N 0 0 381.451 4.046 50 30 GIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2C)cc1 ZINC000065331354 518327630 /nfs/dbraw/zinc/32/76/30/518327630.db2.gz ZRYNEWVCMKNULG-KRWDZBQOSA-N 0 0 391.858 4.320 50 30 GIEARN CC(N=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1cccs1 ZINC000015011808 518466769 /nfs/dbraw/zinc/46/67/69/518466769.db2.gz JKCUODNNMJQNET-ZVHZXABRSA-N 0 0 379.493 4.113 50 30 GIEARN C/C(=N\OCC(=O)N=[S@](C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000012367184 518470201 /nfs/dbraw/zinc/47/02/01/518470201.db2.gz OGKKUVPWFVWFBP-FECOFQHFSA-N 0 0 378.881 4.073 50 30 GIEARN C=C(C)Cn1c(SCCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097976945 518640820 /nfs/dbraw/zinc/64/08/20/518640820.db2.gz NJASEHNRRLWTRN-UHFFFAOYSA-N 0 0 392.569 4.232 50 30 GIEARN CC(C)(C)N1C(=O)[C@H](c2ccccc2)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 ZINC000013467750 518705432 /nfs/dbraw/zinc/70/54/32/518705432.db2.gz KUSXMUZUXWDLOW-BDDWSSEBSA-N 0 0 396.472 4.400 50 30 GIEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)C ZINC000035809377 518743898 /nfs/dbraw/zinc/74/38/98/518743898.db2.gz YDDINUYFGHKBCV-UHFFFAOYSA-N 0 0 396.531 4.220 50 30 GIEARN C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(CC)CC)sc3C)cc21 ZINC000019820213 518835722 /nfs/dbraw/zinc/83/57/22/518835722.db2.gz JLIJNKGWFQUYKT-UHFFFAOYSA-N 0 0 399.516 4.405 50 30 GIEARN C=CCNC(=S)N/N=C/c1ccc(OCCCOc2cccc(C)c2C)cc1 ZINC000004676943 518949111 /nfs/dbraw/zinc/94/91/11/518949111.db2.gz VJBCUBJQBUDVGU-LFVJCYFKSA-N 0 0 397.544 4.135 50 30 GIEARN C=CCc1ccccc1OC[C@H](O)Cn1c2ccccc2nc1C(F)(F)F ZINC000028297112 519146141 /nfs/dbraw/zinc/14/61/41/519146141.db2.gz XWBFUTJXHMMCPE-OAHLLOKOSA-N 0 0 376.378 4.224 50 30 GIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1CC ZINC000002346856 519193405 /nfs/dbraw/zinc/19/34/05/519193405.db2.gz SUDNAXRPVVNEDB-UHFFFAOYSA-N 0 0 398.557 4.410 50 30 GIEARN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000002241813 519194456 /nfs/dbraw/zinc/19/44/56/519194456.db2.gz 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CCCC/N=C1\S/C(=C\C(=O)Nc2ccc(F)cc2)C(=O)N1CCCC ZINC000101686964 519887508 /nfs/dbraw/zinc/88/75/08/519887508.db2.gz DAXQXAKMTXRFOQ-AXNXVOTGSA-N 0 0 377.485 4.180 50 30 GIEARN CCCCCCCCCCCC(N)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100742810 519981047 /nfs/dbraw/zinc/98/10/47/519981047.db2.gz COQNOQDDMTZOII-YMIFCHIISA-N 0 0 379.541 4.477 50 30 GIEARN CCCCCCCNC(=O)[C@@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O ZINC000098045174 520054457 /nfs/dbraw/zinc/05/44/57/520054457.db2.gz RZCPAQIKRUJDPX-LJQANCHMSA-N 0 0 388.895 4.012 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)cc1 ZINC000101284974 520059866 /nfs/dbraw/zinc/05/98/66/520059866.db2.gz FTCCRAGDZLEWHS-LJQANCHMSA-N 0 0 384.480 4.089 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc2c(c1)OCO2 ZINC000019832536 520258537 /nfs/dbraw/zinc/25/85/37/520258537.db2.gz YGRNFNBJDRWLEN-UNMCSNQZSA-N 0 0 399.446 4.458 50 30 GIEARN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)ccc1O ZINC000002777164 520624101 /nfs/dbraw/zinc/62/41/01/520624101.db2.gz DRXSEFULVFKMPN-KLPPEWMLSA-N 0 0 398.484 4.041 50 30 GIEARN CCOc1cc(CN=NC(=S)Nc2ccccc2)cc(Br)c1O ZINC000055406204 520645921 /nfs/dbraw/zinc/64/59/21/520645921.db2.gz DEDOSAQQUQRONZ-ZDLGFXPLSA-N 0 0 394.294 4.285 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCC)c1 ZINC000002775951 520701099 /nfs/dbraw/zinc/70/10/99/520701099.db2.gz VXNXBGUEASKBOW-OAQYLSRUSA-N 0 0 383.488 4.397 50 30 GIEARN CCOc1ccc([C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000245257220 521248968 /nfs/dbraw/zinc/24/89/68/521248968.db2.gz XEOYUMVCLDBUCV-VJBWXMMDSA-N 0 0 383.451 4.201 50 30 GIEARN CCCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000004953047 521253052 /nfs/dbraw/zinc/25/30/52/521253052.db2.gz SHIASKFIZDLYCS-RXSWUABFSA-N 0 0 385.489 4.313 50 30 GIEARN CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000096591912 521514290 /nfs/dbraw/zinc/51/42/90/521514290.db2.gz CFHBPNALYXAKKP-UBIDFSEFSA-N 0 0 396.468 4.106 50 30 GIEARN COc1cc(/C=C(\C(=O)C(F)(F)F)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000032642186 521923242 /nfs/dbraw/zinc/92/32/42/521923242.db2.gz MCVQMRALMPSQCQ-NTEUORMPSA-N 0 0 376.334 4.252 50 30 GIEARN COc1cc(Br)c(/C=C\C(=O)c2ccc(N(C)C)cc2)cc1OC ZINC000096765841 522021102 /nfs/dbraw/zinc/02/11/02/522021102.db2.gz SIYYLVJCSORHIL-YFHOEESVSA-N 0 0 390.277 4.428 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611470 522781103 /nfs/dbraw/zinc/78/11/03/522781103.db2.gz SNTGCXLFSYURQW-UFWORHAWSA-N 0 0 397.287 4.490 50 30 GIEARN COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccccc2O)C1=O ZINC000036257447 522895267 /nfs/dbraw/zinc/89/52/67/522895267.db2.gz JXLPAMYAINFXNO-XNTDXEJSSA-N 0 0 387.844 4.199 50 30 GIEARN COc1ccc(-n2c(SC[C@H](C)C#N)nnc2-c2ccccc2)cc1OC ZINC000007035295 523322896 /nfs/dbraw/zinc/32/28/96/523322896.db2.gz PUYPBSQNONZNDC-CQSZACIVSA-N 0 0 380.473 4.203 50 30 GIEARN COc1ccc(-n2cccc2/C=N/NC(=S)Nc2ccc(C)cc2C)cc1 ZINC000009265593 523337447 /nfs/dbraw/zinc/33/74/47/523337447.db2.gz ZILMNKAMBSVERL-HYARGMPZSA-N 0 0 378.501 4.423 50 30 GIEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000100263824 523707837 /nfs/dbraw/zinc/70/78/37/523707837.db2.gz COVBOGNHAVXIFG-JOJWKMGHSA-N 0 0 391.855 4.069 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)c(Cl)c1 ZINC000101545452 523725560 /nfs/dbraw/zinc/72/55/60/523725560.db2.gz XSTJNSXAYLZISU-CYNURGJPSA-N 0 0 391.855 4.069 50 30 GIEARN CCc1ccc(-n2nnnc2CCN=Nc2ccc(Cl)cc2Cl)cc1 ZINC000004370718 523870758 /nfs/dbraw/zinc/87/07/58/523870758.db2.gz FNOJZDJKTBHMRE-KEBDBYFISA-N 0 0 375.263 4.172 50 30 GIEARN Cc1cccc(CN2CC(=O)C(c3nc(-c4ccccc4Cl)cs3)=C2N)c1 ZINC000034770006 524387612 /nfs/dbraw/zinc/38/76/12/524387612.db2.gz NKEDOTQUXDPQPC-UHFFFAOYSA-N 0 0 395.915 4.484 50 30 GIEARN COc1ccc(N2COc3ccc4c(c3C2)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000013728611 524440900 /nfs/dbraw/zinc/44/09/00/524440900.db2.gz COXSTRSDGGEMNE-NHDPSOOVSA-N 0 0 386.407 4.063 50 30 GIEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)c(C)c1 ZINC000019791077 524452961 /nfs/dbraw/zinc/45/29/61/524452961.db2.gz HUXDQFHSQFVBCO-HYARGMPZSA-N 0 0 386.337 4.218 50 30 GIEARN C[C@H]1CN(CN2c3ccccc3/C(=N/c3ccc4ccccc4c3)C2=O)C[C@H](C)O1 ZINC000019830951 524602723 /nfs/dbraw/zinc/60/27/23/524602723.db2.gz HQIRBLVXPSNJDK-DYDCSJBZSA-N 0 0 399.494 4.374 50 30 GIEARN C[C@@H]1CN(CN2c3ccccc3/C(=N/c3ccc4ccccc4c3)C2=O)C[C@@H](C)O1 ZINC000019830950 524962549 /nfs/dbraw/zinc/96/25/49/524962549.db2.gz HQIRBLVXPSNJDK-VPJVZZLXSA-N 0 0 399.494 4.374 50 30 GIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000006160533 525223746 /nfs/dbraw/zinc/22/37/46/525223746.db2.gz SXCMYFYQACFION-HXUWFJFHSA-N 0 0 389.407 4.067 50 30 GIEARN COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000036612384 525392808 /nfs/dbraw/zinc/39/28/08/525392808.db2.gz DDFDIEMVQXBBGX-FQEVSTJZSA-N 0 0 389.407 4.380 50 30 GIEARN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc4c(c3)OCCO4)n2)cc1 ZINC000032682254 525786435 /nfs/dbraw/zinc/78/64/35/525786435.db2.gz NCOCTHQHYLNASX-INIZCTEOSA-N 0 0 376.437 4.380 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000004632292 525790994 /nfs/dbraw/zinc/79/09/94/525790994.db2.gz LWKRGUJUXVKIOE-LJQANCHMSA-N 0 0 399.512 4.450 50 30 GIEARN Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2N2CCCCC2)cc1 ZINC000012563457 525901974 /nfs/dbraw/zinc/90/19/74/525901974.db2.gz KTHSYUGVWSTKNJ-QGZVFWFLSA-N 0 0 380.521 4.102 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102802982 525944488 /nfs/dbraw/zinc/94/44/88/525944488.db2.gz RABNOOAYQARTNM-NHFXJNLRSA-N 0 0 388.398 4.155 50 30 GIEARN C[C@@H](c1ccccc1)N1CC(=O)C(c2nc(-c3ccc(F)cc3)cs2)=C1N ZINC000034769550 526091508 /nfs/dbraw/zinc/09/15/08/526091508.db2.gz QQKKZINAGVHCDF-ZDUSSCGKSA-N 0 0 379.460 4.222 50 30 GIEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611618 526252112 /nfs/dbraw/zinc/25/21/12/526252112.db2.gz DXYFJLIDWRVMQF-LRXPYSHVSA-N 0 0 393.439 4.112 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000058216574 526276673 /nfs/dbraw/zinc/27/66/73/526276673.db2.gz NQVKHPRPMIVHDS-OAQYLSRUSA-N 0 0 378.520 4.275 50 30 GIEARN Oc1ccccc1/C=N\CCN(CC/N=C\c1ccccc1O)c1ccccc1 ZINC000018066205 526370281 /nfs/dbraw/zinc/37/02/81/526370281.db2.gz KRFPKOOMJXCUCZ-HSLKWFPPSA-N 0 0 387.483 4.142 50 30 GIEARN O=C(OCC#CCSc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000002260345 526416190 /nfs/dbraw/zinc/41/61/90/526416190.db2.gz CFZGGUNZAVRCQS-UHFFFAOYSA-N 0 0 384.438 4.157 50 30 GIEARN N#CCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344124 526480700 /nfs/dbraw/zinc/48/07/00/526480700.db2.gz BZDBVJXJJMONLU-MNOVXSKESA-N 0 0 385.301 4.203 50 30 GIEARN O=C(c1cc2c(ccc(F)c2F)[nH]1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000097971437 526631748 /nfs/dbraw/zinc/63/17/48/526631748.db2.gz AFBGPLUDKVXXBP-UHFFFAOYSA-N 0 0 386.242 4.403 50 30 GIEARN O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Cl)c1 ZINC000001117624 526823760 /nfs/dbraw/zinc/82/37/60/526823760.db2.gz JHESHQGJKDGYKA-QGZVFWFLSA-N 0 0 383.787 4.305 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102931960 526956366 /nfs/dbraw/zinc/95/63/66/526956366.db2.gz HAMLLXBMNDCGAF-WOOAAIBNSA-N 0 0 390.826 4.361 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000102503920 526957026 /nfs/dbraw/zinc/95/70/26/526957026.db2.gz DDTANCIXFMLXGD-YDJIHCHBSA-N 0 0 389.382 4.158 50 30 GIEARN Oc1csc(NN=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000004679821 527016878 /nfs/dbraw/zinc/01/68/78/527016878.db2.gz PINLMEGNOXZHJC-DNTJNYDQSA-N 0 0 394.283 4.125 50 30 GIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccccn3)C12 ZINC000020717460 527031452 /nfs/dbraw/zinc/03/14/52/527031452.db2.gz KWKVRDJQYOZDLC-XIKOKIGWSA-N 0 0 393.834 4.098 50 30 GIEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000015015965 527042047 /nfs/dbraw/zinc/04/20/47/527042047.db2.gz BMOZIHXGAPERIA-UUASQNMZSA-N 0 0 376.796 4.099 50 30 GIEARN O=C1c2c(ccc(Br)c2Cl)NC1=CNCCc1ccccc1 ZINC000100392297 527119478 /nfs/dbraw/zinc/11/94/78/527119478.db2.gz SYPJVHBGGGZURQ-GXDHUFHOSA-N 0 0 377.669 4.384 50 30 GIEARN Cn1cc(/C=C2/C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@@H](O)[C@@]5(C)CC[C@@H]43)CC2=O)cn1 ZINC000118916364 527145052 /nfs/dbraw/zinc/14/50/52/527145052.db2.gz MEBTWHFCEXALJM-IXULXCPBSA-N 0 0 382.548 4.386 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cnccn1 ZINC000002385626 527337209 /nfs/dbraw/zinc/33/72/09/527337209.db2.gz YMGQVXYBUYPTRF-UHFFFAOYSA-N 0 0 387.468 4.049 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cccc(C)c1 ZINC000002446776 527337467 /nfs/dbraw/zinc/33/74/67/527337467.db2.gz BDWOGGNIGIYKBM-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN O=[N+]([O-])c1ccc(O/C(=N/C2CCCCC2)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000017877579 527371729 /nfs/dbraw/zinc/37/17/29/527371729.db2.gz YGHMLXDRUFSILD-UHFFFAOYSA-N 0 0 390.440 4.493 50 30 GIEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3nncc(-c4ccccc4)n3)o2)c1 ZINC000004476785 527382292 /nfs/dbraw/zinc/38/22/92/527382292.db2.gz KTBFXKNPKSHYML-CIAFOILYSA-N 0 0 386.371 4.153 50 30 GIEARN Cn1ccnc1-c1sc(NC(=O)c2cccc(C#N)c2)nc1-c1ccccc1 ZINC000024750771 527425177 /nfs/dbraw/zinc/42/51/77/527425177.db2.gz GAMNIADRKYBPHF-UHFFFAOYSA-N 0 0 385.452 4.335 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1ccc(C)cc1 ZINC000032972469 527629146 /nfs/dbraw/zinc/62/91/46/527629146.db2.gz SPVXNGQTTIRVSK-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN O=C(/C=C\c1cc(Br)cs1)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765579 527654120 /nfs/dbraw/zinc/65/41/20/527654120.db2.gz WQOAWNJIBVPJEQ-RQOWECAXSA-N 0 0 396.281 4.382 50 30 GIEARN O=C(/C=C\c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000096920147 527656926 /nfs/dbraw/zinc/65/69/26/527656926.db2.gz SFKXSJOMNPCWFP-LUAWRHEFSA-N 0 0 385.419 4.493 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)cc2)cc1 ZINC000046125802 570209876 /nfs/dbraw/zinc/20/98/76/570209876.db2.gz WJEMDTRKMAKSED-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN COc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCc1ccccn1 ZINC000046126038 570210031 /nfs/dbraw/zinc/21/00/31/570210031.db2.gz XWYKRQFFTCPBPI-UHFFFAOYSA-N 0 0 394.862 4.142 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(F)c2)cc1 ZINC000046126416 570210266 /nfs/dbraw/zinc/21/02/66/570210266.db2.gz DNRPDJUVLPQMFE-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2C)cc1C ZINC000046131610 570211992 /nfs/dbraw/zinc/21/19/92/570211992.db2.gz WEMNCNNPVTXJJA-HXUWFJFHSA-N 0 0 379.504 4.297 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046133292 570212100 /nfs/dbraw/zinc/21/21/00/570212100.db2.gz AXMUQALIVKZNMR-IBGZPJMESA-N 0 0 385.895 4.279 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000709943 570219322 /nfs/dbraw/zinc/21/93/22/570219322.db2.gz DGDYPHRDGIZXOY-HSZRJFAPSA-N 0 0 391.467 4.342 50 30 GIEARN CCOC(=O)c1c2c(C#N)c(CN3CCCCC3)cn2c2ccccc2c1C ZINC000048229462 570223429 /nfs/dbraw/zinc/22/34/29/570223429.db2.gz OHUBRHFFXUDBME-UHFFFAOYSA-N 0 0 375.472 4.435 50 30 GIEARN C#Cc1cccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000011843737 570234227 /nfs/dbraw/zinc/23/42/27/570234227.db2.gz AAQMCUKSSFKMQZ-GOSISDBHSA-N 0 0 385.385 4.422 50 30 GIEARN C=CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000006082879 570238929 /nfs/dbraw/zinc/23/89/29/570238929.db2.gz SIWMJHIYHJIJIG-UHFFFAOYSA-N 0 0 376.913 4.108 50 30 GIEARN CCOc1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 ZINC000035190056 570248746 /nfs/dbraw/zinc/24/87/46/570248746.db2.gz XEOYUMVCLDBUCV-DNVJHFABSA-N 0 0 383.451 4.201 50 30 GIEARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(OC)cc2)C1=O ZINC000001170766 570253109 /nfs/dbraw/zinc/25/31/09/570253109.db2.gz QSCTXDMLKQXRBM-PDGQHHTCSA-N 0 0 383.831 4.226 50 30 GIEARN C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000015808212 570264396 /nfs/dbraw/zinc/26/43/96/570264396.db2.gz YAZXOHPXEDVIDG-CQSZACIVSA-N 0 0 389.904 4.480 50 30 GIEARN CCOc1cc2c(cc1NC(=O)c1c(C)oc(-n3cccc3)c1C#N)O[C@@H](C)C2 ZINC000012898068 570287392 /nfs/dbraw/zinc/28/73/92/570287392.db2.gz ABMCLVYZQMLILD-ZDUSSCGKSA-N 0 0 391.427 4.225 50 30 GIEARN C=CCSc1ccccc1NC(=O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000012910037 570290508 /nfs/dbraw/zinc/29/05/08/570290508.db2.gz HUAUDBNGFMCHOD-UHFFFAOYSA-N 0 0 380.513 4.398 50 30 GIEARN COc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC)cc1Cl ZINC000002754360 570298419 /nfs/dbraw/zinc/29/84/19/570298419.db2.gz YCQGBMYSZCYZMI-UHFFFAOYSA-N 0 0 383.647 4.129 50 30 GIEARN CCOC(=O)[C@@H]1CCCCN1CC(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000012932542 570303366 /nfs/dbraw/zinc/30/33/66/570303366.db2.gz IBSKSDZHSBTDEY-ZDUSSCGKSA-N 0 0 392.805 4.364 50 30 GIEARN COc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OC)ccc1-2 ZINC000004836890 570311388 /nfs/dbraw/zinc/31/13/88/570311388.db2.gz WFRJUWOHTSBZFI-UHFFFAOYSA-N 0 0 375.384 4.457 50 30 GIEARN C[C@H](Cc1ccccc1Br)NC(=O)C[C@@H](O)Cc1ccccc1 ZINC000328596525 570320373 /nfs/dbraw/zinc/32/03/73/570320373.db2.gz ZYDJPUGCZCLUBV-PBHICJAKSA-N 0 0 376.294 4.330 50 30 GIEARN CC(C)n1ncc2cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cnc21 ZINC000023881899 570333805 /nfs/dbraw/zinc/33/38/05/570333805.db2.gz LDSNPRIWSQXYPM-UHFFFAOYSA-N 0 0 381.439 4.059 50 30 GIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000004889090 570356510 /nfs/dbraw/zinc/35/65/10/570356510.db2.gz BLRRPGWQQPUFRP-PPPMLJSVSA-N 0 0 394.544 4.305 50 30 GIEARN CC[C@H]1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O ZINC000004889076 570356555 /nfs/dbraw/zinc/35/65/55/570356555.db2.gz RBGDPVLILJKLTM-ZYRNDJPESA-N 0 0 396.472 4.147 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004285236 570365712 /nfs/dbraw/zinc/36/57/12/570365712.db2.gz UDJPOCRWGIDSFH-NRFANRHFSA-N 0 0 397.515 4.043 50 30 GIEARN CCOC(=O)CS/C(=N\c1ccccc1)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000004334696 570368541 /nfs/dbraw/zinc/36/85/41/570368541.db2.gz UVSOEJPWRWXOMO-FOVZNYCQSA-N 0 0 378.457 4.197 50 30 GIEARN CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000004936268 570374322 /nfs/dbraw/zinc/37/43/22/570374322.db2.gz SKIICEXDXCHFEE-OJIBODITSA-N 0 0 381.501 4.248 50 30 GIEARN COc1ccc(C2=NN(/C(C)=C/C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004579167 570386145 /nfs/dbraw/zinc/38/61/45/570386145.db2.gz HPNKLMMCDWJEJG-QGFLDLQWSA-N 0 0 379.416 4.247 50 30 GIEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 ZINC000004996908 570392747 /nfs/dbraw/zinc/39/27/47/570392747.db2.gz FGXGZBCTNSUZJU-BWORXHKJSA-N 0 0 387.892 4.320 50 30 GIEARN COc1ccccc1/N=C1\NN=C(c2cn(CCC#N)c3ccccc23)CS1 ZINC000024988258 570401991 /nfs/dbraw/zinc/40/19/91/570401991.db2.gz AEWCYQIAUFPUOO-UHFFFAOYSA-N 0 0 389.484 4.292 50 30 GIEARN O=C(/C=C/c1ccc(Br)o1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000043483437 570413293 /nfs/dbraw/zinc/41/32/93/570413293.db2.gz BBWRWNUGVCQCGE-ZRDIBKRKSA-N 0 0 393.240 4.489 50 30 GIEARN CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1OC ZINC000004987425 570421842 /nfs/dbraw/zinc/42/18/42/570421842.db2.gz COJSSQFVFSOMKI-GJZGRUSLSA-N 0 0 397.496 4.160 50 30 GIEARN O=C(/C=C/c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1)c1ccccc1 ZINC000005003358 570423274 /nfs/dbraw/zinc/42/32/74/570423274.db2.gz TWOZFDGICKKBBK-FMIVXFBMSA-N 0 0 398.374 4.292 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1F ZINC000244866427 570433959 /nfs/dbraw/zinc/43/39/59/570433959.db2.gz VWBAYPZVCVNMJW-ZRBLBEILSA-N 0 0 381.447 4.224 50 30 GIEARN CC(C)(C)/C(COc1ccccc1[N+](=O)[O-])=N\OC(=O)NC1CCCCC1 ZINC000005383539 570436797 /nfs/dbraw/zinc/43/67/97/570436797.db2.gz ZKXCPDSAWCNDGO-FXBPSFAMSA-N 0 0 377.441 4.435 50 30 GIEARN COc1ccc(NC2=C(C(C)=O)[C@H](c3ccccc3)[C@@H](C(C)=O)[C@](C)(O)C2)cc1 ZINC000005157685 570442183 /nfs/dbraw/zinc/44/21/83/570442183.db2.gz DIJKNMOLRVCFHV-RBZQAINGSA-N 0 0 393.483 4.094 50 30 GIEARN CCn1c2ccncc2nc1SCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000089305535 570445871 /nfs/dbraw/zinc/44/58/71/570445871.db2.gz DPKGGEGHKGWSSI-UHFFFAOYSA-N 0 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50 30 GIEARN C=C(C)C(=O)Nc1ccc2oc(-c3cc(NC(=O)C(=C)C)ccc3O)nc2c1 ZINC000000977262 570545951 /nfs/dbraw/zinc/54/59/51/570545951.db2.gz GQNDIRYDTYKAFB-UHFFFAOYSA-N 0 0 377.400 4.230 50 30 GIEARN C#CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000002929542 570547054 /nfs/dbraw/zinc/54/70/54/570547054.db2.gz LPVLDIKMRILRAL-UYRXBGFRSA-N 0 0 395.505 4.109 50 30 GIEARN Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)cc1 ZINC000005345311 570560635 /nfs/dbraw/zinc/56/06/35/570560635.db2.gz AGZNRAJXNULASY-IBGZPJMESA-N 0 0 398.422 4.224 50 30 GIEARN Cc1ccc2c(=O)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)oc2c1C ZINC000005345962 570560988 /nfs/dbraw/zinc/56/09/88/570560988.db2.gz KWUMTPWDMGQFKL-UHFFFAOYSA-N 0 0 378.453 4.474 50 30 GIEARN N#C[C@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 ZINC000004325685 570566641 /nfs/dbraw/zinc/56/66/41/570566641.db2.gz VKHLNGZODADABB-KRWDZBQOSA-N 0 0 378.476 4.103 50 30 aggregator GIEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1 ZINC000005376891 570569268 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GIEARN N#Cc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000037210497 570848430 /nfs/dbraw/zinc/84/84/30/570848430.db2.gz FCMVKCFOAINPBQ-HXUWFJFHSA-N 0 0 379.510 4.267 50 30 GIEARN COc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])S2)cc1 ZINC000004544574 570856553 /nfs/dbraw/zinc/85/65/53/570856553.db2.gz GNGBVIDUEUSQEO-MLIFEPNPSA-N 0 0 381.413 4.051 50 30 GIEARN C/C=C\Cn1c(SCCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000103106801 570876065 /nfs/dbraw/zinc/87/60/65/570876065.db2.gz KJFXXTNHTKESBU-ALCCZGGFSA-N 0 0 378.542 4.254 50 30 GIEARN Cc1cc(C)c(C#N)c(S[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)n1 ZINC000170626400 570883342 /nfs/dbraw/zinc/88/33/42/570883342.db2.gz RQPCGBVOMQYCDW-INIZCTEOSA-N 0 0 391.418 4.487 50 30 GIEARN N#CCC[C@H](C#N)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000015243274 570886135 /nfs/dbraw/zinc/88/61/35/570886135.db2.gz TWSZYYCOXKDERC-CYBMUJFWSA-N 0 0 387.896 4.381 50 30 GIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/C1CCCCCCC1 ZINC000103885926 570889890 /nfs/dbraw/zinc/88/98/90/570889890.db2.gz BCOIMQMPPNCHRX-MLSMKVKPSA-N 0 0 387.549 4.448 50 30 GIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C ZINC000004025766 570904110 /nfs/dbraw/zinc/90/41/10/570904110.db2.gz UQWZWQYTKPEDAK-KNOCVWDGSA-N 0 0 380.484 4.403 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccco2)CC(=O)O3)C1=O ZINC000263586325 570919039 /nfs/dbraw/zinc/91/90/39/570919039.db2.gz SQUDOWASYIFVKP-MXDDHBLUSA-N 0 0 388.375 4.345 50 30 GIEARN N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@H]2CCO)cc1 ZINC000032913401 570921543 /nfs/dbraw/zinc/92/15/43/570921543.db2.gz BEGTUQNXQNTRJZ-IBGZPJMESA-N 0 0 397.906 4.201 50 30 GIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=Nc1ccc2c(c1)OCO2 ZINC000252460129 570959959 /nfs/dbraw/zinc/95/99/59/570959959.db2.gz BXNFOBNRWXOKDB-GFCCVEGCSA-N 0 0 378.428 4.177 50 30 GIEARN N#Cc1cccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)c1 ZINC000033308260 570968217 /nfs/dbraw/zinc/96/82/17/570968217.db2.gz CMGJXHQWCIBLCQ-UHFFFAOYSA-N 0 0 396.406 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C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007777436 571035761 /nfs/dbraw/zinc/03/57/61/571035761.db2.gz LVIIYJRGZQVTOX-NSHDSACASA-N 0 0 385.395 4.366 50 30 GIEARN CCOC(=O)c1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000252624357 571037664 /nfs/dbraw/zinc/03/76/64/571037664.db2.gz PMDZBKSWLBFVHP-NVGQKUQCSA-N 0 0 397.500 4.052 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 ZINC000004841822 571042662 /nfs/dbraw/zinc/04/26/62/571042662.db2.gz GXLFPNZCKDELGX-ZDUSSCGKSA-N 0 0 385.518 4.015 50 30 GIEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)N1 ZINC000002247051 817380796 /nfs/dbraw/zinc/38/07/96/817380796.db2.gz WWQAACRTNOQRNC-QGZVFWFLSA-N 0 0 379.851 4.335 50 30 GIEARN CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000002415373 817387876 /nfs/dbraw/zinc/38/78/76/817387876.db2.gz HDKRICRDGRISIS-HTIXJGPSSA-N 0 0 381.501 4.248 50 30 GIEARN COc1ccc(N2CCN(c3oc(-c4cccc(Cl)c4)nc3C#N)CC2)cc1 ZINC000002429004 817389223 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C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccncc1 ZINC000000778525 206247913 /nfs/dbraw/zinc/24/79/13/206247913.db2.gz GONQTXBIBDVDPK-UHFFFAOYSA-N 0 0 393.516 4.128 50 30 GIEARN CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1 ZINC000000709769 206247933 /nfs/dbraw/zinc/24/79/33/206247933.db2.gz BKCOPLUKZDDUIR-UHFFFAOYSA-N 0 0 379.790 4.229 50 30 GIEARN C=CCSc1nc2nc3c(cc2c(=O)n1-c1cccc(C)c1)COC(C)(C)C3 ZINC000001808155 206248109 /nfs/dbraw/zinc/24/81/09/206248109.db2.gz BHHVSRCKRHEYNK-UHFFFAOYSA-N 0 0 393.512 4.219 50 30 GIEARN C=CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1 ZINC000001074310 206248857 /nfs/dbraw/zinc/24/88/57/206248857.db2.gz KPTQQKWXDNPYEI-UHFFFAOYSA-N 0 0 395.484 4.027 50 30 GIEARN C=CCN1c2ccc(Br)cc2[C@@](O)(c2c(C)[nH]c3ccccc32)C1=O ZINC000002325412 206250087 /nfs/dbraw/zinc/25/00/87/206250087.db2.gz RSVSWRMZAINDCX-HXUWFJFHSA-N 0 0 397.272 4.007 50 30 GIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(F)cc1 ZINC000002448570 206250291 /nfs/dbraw/zinc/25/02/91/206250291.db2.gz 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382.504 4.419 50 30 GIEARN CC1(C)CC(=O)C(C(c2ccc(O)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100007263 520253643 /nfs/dbraw/zinc/25/36/43/520253643.db2.gz UUYLMKHBSNLPBD-IBGZPJMESA-N 0 0 384.472 4.251 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccccc2O)C1=O ZINC000036258263 520536501 /nfs/dbraw/zinc/53/65/01/520536501.db2.gz OOJVUCUNSVFKSD-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2cccc(Cl)c2)cc1 ZINC000096447112 520789392 /nfs/dbraw/zinc/78/93/92/520789392.db2.gz FYQJIMQXROQJFE-JYRVWZFOSA-N 0 0 377.893 4.267 50 30 GIEARN CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2/N=C/c1ccc2cc[nH]c2c1 ZINC000032074912 520791170 /nfs/dbraw/zinc/79/11/70/520791170.db2.gz SSKUVRSYMNCMGN-UVHMKAGCSA-N 0 0 384.527 4.312 50 30 GIEARN CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000019898848 520822809 /nfs/dbraw/zinc/82/28/09/520822809.db2.gz SLQAPVCSISBIHV-QHCPKHFHSA-N 0 0 387.479 4.440 50 30 GIEARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100557253 520822947 /nfs/dbraw/zinc/82/29/47/520822947.db2.gz SDLCLJYAVNBLEA-LAUBAEHRSA-N 0 0 395.499 4.013 50 30 GIEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1OC ZINC000005959769 520856583 /nfs/dbraw/zinc/85/65/83/520856583.db2.gz HRMGMJOLTXPLAL-RGVLZGJSSA-N 0 0 388.880 4.177 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1cccc(OC)c1 ZINC000001440877 521089197 /nfs/dbraw/zinc/08/91/97/521089197.db2.gz PQSYMEZHCDDXSL-UTKZUKDTSA-N 0 0 383.419 4.066 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004821524 521091947 /nfs/dbraw/zinc/09/19/47/521091947.db2.gz CHJLTHKXQTVZKQ-GMAHTHKFSA-N 0 0 393.483 4.081 50 30 GIEARN CCOC(=O)c1noc(C)c1-c1csc(N=NCc2ccccc2Cl)n1 ZINC000004394528 521607018 /nfs/dbraw/zinc/60/70/18/521607018.db2.gz ZOQRDNHZJDFXCW-UFWORHAWSA-N 0 0 390.852 4.383 50 30 GIEARN CCCn1c2ccccc2nc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 ZINC000014093650 521639247 /nfs/dbraw/zinc/63/92/47/521639247.db2.gz ANIJKVMJAPOAPW-GOSISDBHSA-N 0 0 390.487 4.391 50 30 GIEARN COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc2c1OCO2 ZINC000001135933 521965335 /nfs/dbraw/zinc/96/53/35/521965335.db2.gz RMCSBLFICZHPPG-AUWJEWJLSA-N 0 0 385.466 4.328 50 30 GIEARN CC[C@H](C)c1ccc([C@H]2C3=C(Nc4nc(N)[nH]c(=O)c42)c2ccccc2C3=O)cc1 ZINC000017945738 522044757 /nfs/dbraw/zinc/04/47/57/522044757.db2.gz SMVILGAUYCTKEA-SJCJKPOMSA-N 0 0 398.466 4.031 50 30 GIEARN CN(C)c1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000012610084 522139256 /nfs/dbraw/zinc/13/92/56/522139256.db2.gz HEHMFIDWQXYFAF-FMIVXFBMSA-N 0 0 387.483 4.034 50 30 GIEARN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(C)cc1 ZINC000004060331 522400799 /nfs/dbraw/zinc/40/07/99/522400799.db2.gz WMMDEQRHMRDZQI-WSDLNYQXSA-N 0 0 383.835 4.171 50 30 GIEARN CNc1ccc(/C=C/C(=O)c2ccc(OC(F)F)c(OC)c2)cc1[N+](=O)[O-] ZINC000020922959 522578234 /nfs/dbraw/zinc/57/82/34/522578234.db2.gz DBNJCELBAMAQPD-QPJJXVBHSA-N 0 0 378.331 4.143 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000020617924 522780797 /nfs/dbraw/zinc/78/07/97/522780797.db2.gz SSNZITTWTZIRNZ-AWQFTUOYSA-N 0 0 390.896 4.454 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000036611524 522781221 /nfs/dbraw/zinc/78/12/21/522781221.db2.gz VGOXJEHEWOBZDW-UFWORHAWSA-N 0 0 397.287 4.490 50 30 GIEARN COC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccccc2O)C1=O ZINC000036257281 522894801 /nfs/dbraw/zinc/89/48/01/522894801.db2.gz QNZORKPEKGFMPL-OQLLNIDSSA-N 0 0 387.844 4.199 50 30 GIEARN CCn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1C1CC1 ZINC000006993435 523230881 /nfs/dbraw/zinc/23/08/81/523230881.db2.gz PPVOELVQLACUFE-UHFFFAOYSA-N 0 0 379.489 4.019 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(Cl)c1 ZINC000004820167 523284814 /nfs/dbraw/zinc/28/48/14/523284814.db2.gz GJMWEQGQSMJALU-INIZCTEOSA-N 0 0 391.876 4.016 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006782312 523286077 /nfs/dbraw/zinc/28/60/77/523286077.db2.gz XYONNMWQEMBDOM-OAQYLSRUSA-N 0 0 393.483 4.425 50 30 GIEARN CCn1c2ccccc2nc1S[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000006652791 523289573 /nfs/dbraw/zinc/28/95/73/523289573.db2.gz QACBTJICUQOXPC-INIZCTEOSA-N 0 0 378.501 4.484 50 30 GIEARN COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1COCC(F)(F)F ZINC000000996381 523415642 /nfs/dbraw/zinc/41/56/42/523415642.db2.gz JDMWBMVPDSUPMN-YBEGLDIGSA-N 0 0 391.345 4.119 50 30 GIEARN COc1ccc(/C=C\C(=O)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000096766131 523434381 /nfs/dbraw/zinc/43/43/81/523434381.db2.gz POFMMEJDOXHAHG-YVMONPNESA-N 0 0 377.234 4.371 50 30 GIEARN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1COc1ccccn1 ZINC000004785786 523446609 /nfs/dbraw/zinc/44/66/09/523446609.db2.gz UUPMMUMYGVNJKL-LPYMAVHISA-N 0 0 378.388 4.023 50 30 GIEARN COc1ccc(C=Nc2nc[nH]n2)cc1CSc1nc2ccccc2s1 ZINC000002260482 523455169 /nfs/dbraw/zinc/45/51/69/523455169.db2.gz HEEQCLNDUZMYHU-DJKKODMXSA-N 0 0 381.486 4.466 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N/c1cccc(Cl)c1 ZINC000102406705 523726475 /nfs/dbraw/zinc/72/64/75/523726475.db2.gz HABGTDLACXOODR-OBAOGOGRSA-N 0 0 391.855 4.069 50 30 GIEARN COc1ccc(C(=O)Oc2cc3c(c(C)c2)C(=O)/C(=C/c2ccncc2)O3)cc1 ZINC000006672340 523774076 /nfs/dbraw/zinc/77/40/76/523774076.db2.gz RZJIISFWBGGBSA-NDENLUEZSA-N 0 0 387.391 4.234 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006739906 523797246 /nfs/dbraw/zinc/79/72/46/523797246.db2.gz DRFULZKMGXJMFX-HXUWFJFHSA-N 0 0 393.483 4.209 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000004820076 523797297 /nfs/dbraw/zinc/79/72/97/523797297.db2.gz RQNZOYQKNWCYEL-GOSISDBHSA-N 0 0 399.512 4.270 50 30 GIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000005127675 523994481 /nfs/dbraw/zinc/99/44/81/523994481.db2.gz JDONAFBGMJHURR-LFYBBSHMSA-N 0 0 377.362 4.069 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)cc1 ZINC000102928346 524052056 /nfs/dbraw/zinc/05/20/56/524052056.db2.gz YHKOKIYJCFFWPI-MRJHHRETSA-N 0 0 387.435 4.464 50 30 GIEARN COc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000012378358 524378045 /nfs/dbraw/zinc/37/80/45/524378045.db2.gz ZLBPNYQAXYKIIV-UHFFFAOYSA-N 0 0 380.469 4.251 50 30 GIEARN Cc1ccc(CN2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 ZINC000019800696 524453907 /nfs/dbraw/zinc/45/39/07/524453907.db2.gz NKLSKSQTTKYZOK-LPYMAVHISA-N 0 0 386.883 4.017 50 30 GIEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(F)cc2)Nc2ccccc2)n1 ZINC000017027846 524576474 /nfs/dbraw/zinc/57/64/74/524576474.db2.gz MYSZUMWUMZYTTN-UHFFFAOYSA-N 0 0 378.411 4.345 50 30 GIEARN COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3cccs3)CC(=O)C21 ZINC000012391562 524762575 /nfs/dbraw/zinc/76/25/75/524762575.db2.gz MSIMCMOGZNEWQP-VOJFVSQTSA-N 0 0 394.456 4.119 50 30 GIEARN Cc1ccc(NC(=N)Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)c(C)c1 ZINC000055512330 524911275 /nfs/dbraw/zinc/91/12/75/524911275.db2.gz IZCRBOJSXSMDMX-UHFFFAOYSA-N 0 0 377.292 4.189 50 30 GIEARN COc1ccc([C@@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1OC ZINC000013282222 525227387 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4.106 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000017160210 526024835 /nfs/dbraw/zinc/02/48/35/526024835.db2.gz YYINSBZDQBSPPT-OAQYLSRUSA-N 0 0 384.435 4.169 50 30 GIEARN Cc1cc(Br)c(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000100376064 526151933 /nfs/dbraw/zinc/15/19/33/526151933.db2.gz DKQGAWSTUBUWLI-UDWIEESQSA-N 0 0 375.266 4.050 50 30 GIEARN CSc1sc(-c2ccnc(SCC(N)=O)n2)c(-c2ccccc2)c1C#N ZINC000002154166 526233867 /nfs/dbraw/zinc/23/38/67/526233867.db2.gz BRCVCLOLUMONFK-UHFFFAOYSA-N 0 0 398.538 4.043 50 30 GIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)c1 ZINC000000798050 526257685 /nfs/dbraw/zinc/25/76/85/526257685.db2.gz FHHTXTIIJHHWGZ-FQEVSTJZSA-N 0 0 388.423 4.070 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(F)c1 ZINC000013161714 526269430 /nfs/dbraw/zinc/26/94/30/526269430.db2.gz RYOXLLJXJMBXPW-IBGZPJMESA-N 0 0 377.371 4.197 50 30 GIEARN O[C@H](Cc1ccccc1)c1ccc2c(c1)CN(CC#Cc1ccccc1)CCO2 ZINC000014972768 526297847 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GIEARN C[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898226 570359214 /nfs/dbraw/zinc/35/92/14/570359214.db2.gz XXUNRUDGXWNTFM-TXFGNXOESA-N 0 0 375.856 4.333 50 30 GIEARN C=CCOc1ccc(Br)c(/C=N/NC(=S)NC2CCCCC2)c1 ZINC000004210192 570363170 /nfs/dbraw/zinc/36/31/70/570363170.db2.gz HEMVMFKHTURHCD-XDHOZWIPSA-N 0 0 396.354 4.145 50 30 GIEARN O=c1[nH][nH]c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2 ZINC000012347130 570367887 /nfs/dbraw/zinc/36/78/87/570367887.db2.gz BUBSZHYMPAPDIS-IBGZPJMESA-N 0 0 387.439 4.259 50 30 GIEARN CCOc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000004450368 570375328 /nfs/dbraw/zinc/37/53/28/570375328.db2.gz GBJWABJKOOVKKW-DNVJHFABSA-N 0 0 383.451 4.076 50 30 GIEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@H](c3cccs3)CC1=N2 ZINC000004488261 570378382 /nfs/dbraw/zinc/37/83/82/570378382.db2.gz KERRXZUYACANCR-NSPYISDASA-N 0 0 398.438 4.342 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000004530002 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50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000004906494 570416825 /nfs/dbraw/zinc/41/68/25/570416825.db2.gz SZTYDZJNVNHLKM-HXUWFJFHSA-N 0 0 379.456 4.035 50 30 GIEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004914542 570417927 /nfs/dbraw/zinc/41/79/27/570417927.db2.gz JLWOTHVNHCFGHM-APWZRJJASA-N 0 0 379.431 4.229 50 30 GIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(C)c2)c1 ZINC000004916173 570418066 /nfs/dbraw/zinc/41/80/66/570418066.db2.gz ACCQNCZBWFORHU-APWZRJJASA-N 0 0 391.467 4.017 50 30 GIEARN CCOC(=O)c1sc(NC(=O)Cc2cccc3ccccc32)c(C#N)c1C ZINC000005145231 570426790 /nfs/dbraw/zinc/42/67/90/570426790.db2.gz IDBOBXJHPIUVKY-UHFFFAOYSA-N 0 0 378.453 4.439 50 30 GIEARN N=C(NOC(=O)c1cc(Br)ccc1Cl)c1ccc(Cl)cc1 ZINC000005059762 570427267 /nfs/dbraw/zinc/42/72/67/570427267.db2.gz VSYULGLPQZBGOJ-UHFFFAOYSA-N 0 0 388.048 4.233 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005101368 570429165 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GIEARN Cc1ccc(CN2CCN(N=Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 ZINC000002705086 570488367 /nfs/dbraw/zinc/48/83/67/570488367.db2.gz NKLSKSQTTKYZOK-UHFFFAOYSA-N 0 0 386.883 4.017 50 30 GIEARN C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000006605170 570496235 /nfs/dbraw/zinc/49/62/35/570496235.db2.gz NWELPKNTAFCHIK-KRWDZBQOSA-N 0 0 384.435 4.338 50 30 GIEARN CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 ZINC000006608959 570499663 /nfs/dbraw/zinc/49/96/63/570499663.db2.gz LPZCIABZUNQPNJ-SFHVURJKSA-N 0 0 391.496 4.335 50 30 GIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccncc3)C12 ZINC000007496041 570506306 /nfs/dbraw/zinc/50/63/06/570506306.db2.gz PFATZXYKDNSTTQ-NYHFZMIOSA-N 0 0 382.423 4.440 50 30 GIEARN COc1cc(C=C2SC(=Nc3cccc(O)c3)NC2=O)cc(OC)c1OC ZINC000006641365 570515413 /nfs/dbraw/zinc/51/54/13/570515413.db2.gz FUHKYECGYRQAKW-SXGWCWSVSA-N 0 0 386.429 4.150 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000032911120 570515606 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Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)CC#N)cc12 ZINC000060297230 570589549 /nfs/dbraw/zinc/58/95/49/570589549.db2.gz QGYGJPMIBAOMMG-UHFFFAOYSA-N 0 0 393.299 4.357 50 30 GIEARN CCOc1ccc(-c2nc(NC(=O)COc3ccc(C#N)cc3)sc2C)cc1 ZINC000006788709 570594659 /nfs/dbraw/zinc/59/46/59/570594659.db2.gz RKQDRWLQSKPZCF-UHFFFAOYSA-N 0 0 393.468 4.406 50 30 GIEARN COc1cccc2cc(C(=O)/C=C/c3ccc(Br)cc3)c(=O)oc21 ZINC000004598221 570629661 /nfs/dbraw/zinc/62/96/61/570629661.db2.gz VLIPJFKDJNYXAQ-JXMROGBWSA-N 0 0 385.213 4.460 50 30 GIEARN COc1cc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)ccc1O ZINC000005551239 570632061 /nfs/dbraw/zinc/63/20/61/570632061.db2.gz FGFINRQMHDVGNO-CHHVJCJISA-N 0 0 378.812 4.085 50 30 GIEARN C[C@@H]1Cc2ccc(CNC(=O)c3ccc(C#N)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989825 570632723 /nfs/dbraw/zinc/63/27/23/570632723.db2.gz KJAGOUFINPEXJM-QGZVFWFLSA-N 0 0 395.462 4.080 50 30 GIEARN N#Cc1ccc(CSCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000006850441 570648058 /nfs/dbraw/zinc/64/80/58/570648058.db2.gz 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GIEARN CCNC(=S)N=NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000012374196 521509184 /nfs/dbraw/zinc/50/91/84/521509184.db2.gz BKGQJRABJIEJPU-NHDPSOOVSA-N 0 0 377.897 4.157 50 30 GIEARN CCOc1ccccc1NC=C1C(=O)CC(c2ccc(OC)c(OC)c2)CC1=O ZINC000002283587 521552624 /nfs/dbraw/zinc/55/26/24/521552624.db2.gz BIGVQDFVXLXGFB-UHFFFAOYSA-N 0 0 395.455 4.114 50 30 GIEARN COc1cc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC#N ZINC000005937548 521926227 /nfs/dbraw/zinc/92/62/27/521926227.db2.gz DUODOSCDDICAHG-CSKARUKUSA-N 0 0 390.483 4.092 50 30 GIEARN COc1cc(C=NNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000004425828 521992594 /nfs/dbraw/zinc/99/25/94/521992594.db2.gz GCWCQIAPACJFJD-BUVRLJJBSA-N 0 0 389.455 4.467 50 30 GIEARN COc1cc(N=C2NC(=O)SC2=Cc2cccc3nccnc23)cc(OC)c1 ZINC000072400555 522012390 /nfs/dbraw/zinc/01/23/90/522012390.db2.gz VXQVMXSLHJOGCZ-IUXPMGMMSA-N 0 0 392.440 4.379 50 30 GIEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000017078123 522428887 /nfs/dbraw/zinc/42/88/87/522428887.db2.gz HUKUUQJBDHCEPT-QQHUYRGFSA-N 0 0 382.485 4.371 50 30 GIEARN COc1ccc(-c2csc(C(C#N)=NNc3ccc(C)cc3)n2)cc1OC ZINC000005024204 523161787 /nfs/dbraw/zinc/16/17/87/523161787.db2.gz PLPBEZDMRHZBLE-JLPGSUDCSA-N 0 0 378.457 4.476 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102877341 523275595 /nfs/dbraw/zinc/27/55/95/523275595.db2.gz NQBBEOZXHSOONS-YDJIHCHBSA-N 0 0 397.471 4.170 50 30 GIEARN COc1ccc(N=C(Nc2cc(C)ccc2OC)n2sc(C)cc2=N)cc1 ZINC000020357157 523463708 /nfs/dbraw/zinc/46/37/08/523463708.db2.gz DZUOAFAEKXAIBZ-UHFFFAOYSA-N 0 0 382.489 4.311 50 30 GIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 ZINC000005008783 523489876 /nfs/dbraw/zinc/48/98/76/523489876.db2.gz HNWUMPLOPXJYLQ-QPJJXVBHSA-N 0 0 377.234 4.371 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000100263826 523700412 /nfs/dbraw/zinc/70/04/12/523700412.db2.gz COVBOGNHAVXIFG-CYNURGJPSA-N 0 0 391.855 4.069 50 30 GIEARN CN(C(=O)COC(=O)CSc1ccc2ccccc2c1)C1(C#N)CCCCC1 ZINC000005780416 523830338 /nfs/dbraw/zinc/83/03/38/523830338.db2.gz IDAPFHMMULMXFC-UHFFFAOYSA-N 0 0 396.512 4.160 50 30 GIEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(C)cc2C)cc1 ZINC000033931773 524020650 /nfs/dbraw/zinc/02/06/50/524020650.db2.gz FEVYXGUIFIEGRU-QPHQQSIVSA-N 0 0 381.501 4.166 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C/c1cccc(F)c1 ZINC000032859660 524033897 /nfs/dbraw/zinc/03/38/97/524033897.db2.gz LDNLRQJQAWKBOA-AROKFOENSA-N 0 0 379.431 4.263 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000006785507 524034497 /nfs/dbraw/zinc/03/44/97/524034497.db2.gz ONFHBDCYPCBUHB-QFBILLFUSA-N 0 0 397.496 4.068 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nccc(C(F)(F)F)n1 ZINC000036664616 524034575 /nfs/dbraw/zinc/03/45/75/524034575.db2.gz JGKCYFUYUYSXET-YBEGLDIGSA-N 0 0 393.434 4.468 50 30 GIEARN Cc1cccc(C(=N)NOC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000004834149 524151040 /nfs/dbraw/zinc/15/10/40/524151040.db2.gz MLEOSUMYFIUZHX-UHFFFAOYSA-N 0 0 381.259 4.325 50 30 GIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000104100387 524385423 /nfs/dbraw/zinc/38/54/23/524385423.db2.gz SASSUNQEHMOPAV-JBCNATCCSA-N 0 0 385.419 4.322 50 30 GIEARN Cc1ccc(CN2CCN(/N=C/c3cccc(Br)c3)CC2)c(C)c1 ZINC000019791151 524454520 /nfs/dbraw/zinc/45/45/20/524454520.db2.gz ONUQMGYSJRPUOY-HYARGMPZSA-N 0 0 386.337 4.218 50 30 GIEARN Cc1cc(C)n(-c2ccc(C(N)=NOCc3ccc(Cl)c(Cl)c3)cn2)n1 ZINC000072054538 524476835 /nfs/dbraw/zinc/47/68/35/524476835.db2.gz VEFGAUXHQMQPTK-UHFFFAOYSA-N 0 0 390.274 4.028 50 30 GIEARN COc1ccnc(-n2cccc2/C=N/OCc2c(F)cccc2Cl)c1C#N ZINC000004024598 524826276 /nfs/dbraw/zinc/82/62/76/524826276.db2.gz BSLFCPYXOBGSKJ-BHGWPJFGSA-N 0 0 384.798 4.096 50 30 GIEARN Cc1ccc(NC=C(C(=O)c2ccccc2)c2nnnn2-c2ccccc2)cc1 ZINC000004406295 524914846 /nfs/dbraw/zinc/91/48/46/524914846.db2.gz GIDDTDQNDAIAQJ-LTGZKZEYSA-N 0 0 381.439 4.307 50 30 GIEARN C[C@H](NC(=O)CSC(=NC#N)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013942151 524974466 /nfs/dbraw/zinc/97/44/66/524974466.db2.gz VMWFGIYEFFZTRH-BZSISCHUSA-N 0 0 396.560 4.390 50 30 GIEARN Cc1ccccc1CN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O ZINC000019816809 525146642 /nfs/dbraw/zinc/14/66/42/525146642.db2.gz NQVMSGIXYMIHOJ-HXHYHFERSA-N 0 0 397.474 4.402 50 30 GIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000005578609 525223641 /nfs/dbraw/zinc/22/36/41/525223641.db2.gz UAAUVEPGSUKWNF-JOCHJYFZSA-N 0 0 399.446 4.474 50 30 GIEARN Cc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCCC2)s1 ZINC000006650339 525276187 /nfs/dbraw/zinc/27/61/87/525276187.db2.gz UMQPRBVOMYBJTB-UHFFFAOYSA-N 0 0 387.534 4.025 50 30 GIEARN C[C@@H]1Cc2ccccc2N1/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000012560900 525528383 /nfs/dbraw/zinc/52/83/83/525528383.db2.gz BHHBSPLRKGEGTF-BXACRRSSSA-N 0 0 394.471 4.412 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 ZINC000102434579 525944994 /nfs/dbraw/zinc/94/49/94/525944994.db2.gz RODDIZGEKSXMLZ-JBCNATCCSA-N 0 0 384.435 4.012 50 30 GIEARN Cc1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)o1 ZINC000013771047 525959535 /nfs/dbraw/zinc/95/95/35/525959535.db2.gz LXYZPRVINABIOU-MTJSOVHGSA-N 0 0 390.391 4.326 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(Cl)cc1 ZINC000017146999 526268793 /nfs/dbraw/zinc/26/87/93/526268793.db2.gz PIWFESMCEYBBIS-MJGOQNOKSA-N 0 0 397.858 4.097 50 30 GIEARN N#CC1CCN(C(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000058265284 526440818 /nfs/dbraw/zinc/44/08/18/526440818.db2.gz PCEXJHASMXXBDB-SFHVURJKSA-N 0 0 378.501 4.306 50 30 GIEARN O=C(CCCNC(=O)c1ccsc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000024927390 526443099 /nfs/dbraw/zinc/44/30/99/526443099.db2.gz ZZSZSMZQBOAYPP-UHFFFAOYSA-N 0 0 394.521 4.358 50 30 GIEARN N#CCCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000003255281 526449440 /nfs/dbraw/zinc/44/94/40/526449440.db2.gz QALRJHLLXAQHQE-UHFFFAOYSA-N 0 0 377.227 4.097 50 30 GIEARN N#CCCN(C(=O)COC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003303649 526451241 /nfs/dbraw/zinc/45/12/41/526451241.db2.gz DKHLBGRZVKDRBB-UHFFFAOYSA-N 0 0 384.435 4.457 50 30 GIEARN N#CCSc1ccccc1NC(=O)COc1ccccc1Br ZINC000005037992 526479127 /nfs/dbraw/zinc/47/91/27/526479127.db2.gz SBLNQWYSDACUNS-UHFFFAOYSA-N 0 0 377.263 4.082 50 30 GIEARN C=CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccccc2F)cc1 ZINC000012390960 526831563 /nfs/dbraw/zinc/83/15/63/526831563.db2.gz QLKVHSDCQICCME-KRWDZBQOSA-N 0 0 397.406 4.237 50 30 GIEARN Clc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 ZINC000019773206 526945792 /nfs/dbraw/zinc/94/57/92/526945792.db2.gz ZUJRXUYYSUMLSA-FYJGNVAPSA-N 0 0 392.728 4.254 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102879738 526957513 /nfs/dbraw/zinc/95/75/13/526957513.db2.gz IHLPFFBLKRSUFW-LFVOPCPISA-N 0 0 390.826 4.361 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)sc1C ZINC000102883255 526960846 /nfs/dbraw/zinc/96/08/46/526960846.db2.gz LXJOCHOZQHNLRJ-GHNGSUTGSA-N 0 0 390.464 4.386 50 30 GIEARN O=C1C[C@H](c2ccccc2O)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000016974067 527032417 /nfs/dbraw/zinc/03/24/17/527032417.db2.gz INYSTSIHESUIHZ-XCLFUZPHSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C/c1ccncc1)CN(CCc1cccs1)CO3 ZINC000020663763 527124648 /nfs/dbraw/zinc/12/46/48/527124648.db2.gz KJXOYUKLCJDWIG-UDWIEESQSA-N 0 0 390.464 4.154 50 30 GIEARN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccs1 ZINC000064874167 527399816 /nfs/dbraw/zinc/39/98/16/527399816.db2.gz FYXYRMOTVKMGEW-LJQANCHMSA-N 0 0 390.468 4.219 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)ONC(=N)c1ccc(C(C)(C)C)cc1 ZINC000004390268 527539001 /nfs/dbraw/zinc/53/90/01/527539001.db2.gz JYSVZNQXRXWPIQ-UHFFFAOYSA-N 0 0 390.487 4.264 50 30 GIEARN O=C(C(=NNc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F)c1ccccc1 ZINC000102262982 527592394 /nfs/dbraw/zinc/59/23/94/527592394.db2.gz PMUPJSZIHBVFCF-DHRITJCHSA-N 0 0 388.267 4.488 50 30 GIEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cc(F)cc(F)c2)cc1C ZINC000046126898 570210290 /nfs/dbraw/zinc/21/02/90/570210290.db2.gz RVGCRIXPANKAMS-UHFFFAOYSA-N 0 0 394.425 4.375 50 30 GIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000046129166 570211080 /nfs/dbraw/zinc/21/10/80/570211080.db2.gz NKOSHOKNZITMDT-QGZVFWFLSA-N 0 0 389.858 4.164 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)c(Cl)c2)cc1 ZINC000046131755 570211971 /nfs/dbraw/zinc/21/19/71/570211971.db2.gz GCNDLAORNIHPNW-MRXNPFEDSA-N 0 0 389.858 4.164 50 30 GIEARN CCc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000046131095 570211975 /nfs/dbraw/zinc/21/19/75/570211975.db2.gz ZFBXCHNAHGNTTR-GOSISDBHSA-N 0 0 385.895 4.279 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccncc1 ZINC000019761115 570216597 /nfs/dbraw/zinc/21/65/97/570216597.db2.gz UIMHKPLZMQTIFC-GCJKJVERSA-N 0 0 388.467 4.006 50 30 GIEARN COc1ccc(/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)cc1 ZINC000000716045 570220063 /nfs/dbraw/zinc/22/00/63/570220063.db2.gz XZUAAUCUVFNFCN-MFKUBSTISA-N 0 0 399.450 4.175 50 30 GIEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C#N)s2)cc1 ZINC000006044407 570221362 /nfs/dbraw/zinc/22/13/62/570221362.db2.gz YVGNPTPMWHDLQW-UHFFFAOYSA-N 0 0 387.515 4.254 50 30 GIEARN C=CCNC(=O)CSc1nccc(-c2sc3scc(C)c3c2C)n1 ZINC000002152607 570252770 /nfs/dbraw/zinc/25/27/70/570252770.db2.gz WSDBPXWXSJUBMJ-UHFFFAOYSA-N 0 0 375.544 4.431 50 30 GIEARN COc1ccc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 ZINC000002312073 570282193 /nfs/dbraw/zinc/28/21/93/570282193.db2.gz KEKBIAXEXWMHGA-WYMPLXKRSA-N 0 0 389.480 4.381 50 30 GIEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ncc(C)s3)n2)c1 ZINC000000662191 570287269 /nfs/dbraw/zinc/28/72/69/570287269.db2.gz YSKNXIQWRDPNRV-UHFFFAOYSA-N 0 0 396.497 4.125 50 30 GIEARN C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc2c(c1)CCCC2 ZINC000014092791 570289194 /nfs/dbraw/zinc/28/91/94/570289194.db2.gz HQMDRSQNOABDPN-AWEZNQCLSA-N 0 0 379.529 4.277 50 30 GIEARN CCOc1ccc(C(=O)/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002534643 570290308 /nfs/dbraw/zinc/29/03/08/570290308.db2.gz 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C=C(C)COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccnc1 ZINC000012324856 570315467 /nfs/dbraw/zinc/31/54/67/570315467.db2.gz GTUIFAQYBGOHOY-UHFFFAOYSA-N 0 0 378.428 4.023 50 30 GIEARN Cc1nc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)sc1-c1ccccn1 ZINC000023501146 570325081 /nfs/dbraw/zinc/32/50/81/570325081.db2.gz YRFAGJHHZVPUQR-UHFFFAOYSA-N 0 0 389.440 4.330 50 30 GIEARN Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 ZINC000000798048 570338898 /nfs/dbraw/zinc/33/88/98/570338898.db2.gz SLJCSTXMCSCYNT-FQEVSTJZSA-N 0 0 388.423 4.070 50 30 GIEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc(OC)c1OC ZINC000006215408 570342747 /nfs/dbraw/zinc/34/27/47/570342747.db2.gz FYPUAPMQFNXAAT-WOJGMQOQSA-N 0 0 398.484 4.221 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000023112209 570344256 /nfs/dbraw/zinc/34/42/56/570344256.db2.gz VMYFGAVBWVEYAH-FQEVSTJZSA-N 0 0 384.911 4.363 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265793 570353347 /nfs/dbraw/zinc/35/33/47/570353347.db2.gz NWZUJJLXPGTQFU-SFHVURJKSA-N 0 0 394.452 4.390 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cccc(Br)c1 ZINC000012347520 570365282 /nfs/dbraw/zinc/36/52/82/570365282.db2.gz QIXWUJBLDUQVEI-ZDUSSCGKSA-N 0 0 388.265 4.078 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004918644 570365677 /nfs/dbraw/zinc/36/56/77/570365677.db2.gz GFRHDHSAMZTCMY-DENIHFKCSA-N 0 0 398.430 4.162 50 30 GIEARN C/C(=N\OC(=O)NC(C)(C)C)c1cnn(-c2cc(C(F)(F)F)cc(C)n2)c1C ZINC000004306781 570366777 /nfs/dbraw/zinc/36/67/77/570366777.db2.gz QBGVEGLHBTUOMY-OPEKNORGSA-N 0 0 397.401 4.152 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000004312674 570367118 /nfs/dbraw/zinc/36/71/18/570367118.db2.gz SVTIPFDBKWKWLY-OAQYLSRUSA-N 0 0 384.435 4.481 50 30 GIEARN Cc1ccsc1[C@@H]1c2c([nH]n(-c3ccccc3)c2=O)NC2=C1C(=O)CCC2 ZINC000012348694 570369413 /nfs/dbraw/zinc/36/94/13/570369413.db2.gz NZIRFFWKZRMZRI-KRWDZBQOSA-N 0 0 377.469 4.100 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)NC(=O)N[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000004530001 570382029 /nfs/dbraw/zinc/38/20/29/570382029.db2.gz JHUWASXXJAGXKE-NRFANRHFSA-N 0 0 376.456 4.263 50 30 GIEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)cc1 ZINC000004993395 570391236 /nfs/dbraw/zinc/39/12/36/570391236.db2.gz JKYPCCUTKXJTPG-JOCHJYFZSA-N 0 0 388.467 4.307 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2)c1=O ZINC000004667431 570391437 /nfs/dbraw/zinc/39/14/37/570391437.db2.gz JJVWKLSBJPZHBQ-IZZDOVSWSA-N 0 0 388.261 4.146 50 30 GIEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Oc2ccccc2)cc1 ZINC000005009251 570394959 /nfs/dbraw/zinc/39/49/59/570394959.db2.gz WBIDYXAQUZQQIA-UHFFFAOYSA-N 0 0 382.423 4.072 50 30 GIEARN Cc1cc(C)cc(NC(=S)N=C(Nc2nc(C)cc(C)n2)NC2CCCC2)c1 ZINC000004711813 570396703 /nfs/dbraw/zinc/39/67/03/570396703.db2.gz MZFHNTSCROZHMU-UHFFFAOYSA-N 0 0 396.564 4.407 50 30 GIEARN Cc1ccc(OC(=O)N2CCOCC2)c(C(=O)/C=C/c2ccccc2Cl)c1 ZINC000005022114 570398613 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GIEARN COc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)c(OC)c1OC ZINC000033790655 570419335 /nfs/dbraw/zinc/41/93/35/570419335.db2.gz NMMQLHIYFGBPHO-UHFFFAOYSA-N 0 0 375.428 4.204 50 30 GIEARN Cc1sc(NC(=O)CSc2nnc3sc4ccccc4n23)c(C#N)c1C ZINC000001804874 570425750 /nfs/dbraw/zinc/42/57/50/570425750.db2.gz SHNUEAMUNBINOX-UHFFFAOYSA-N 0 0 399.526 4.225 50 30 GIEARN CO/N=C/C(=NNc1ccc(OC)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000005210709 570431416 /nfs/dbraw/zinc/43/14/16/570431416.db2.gz VLICZECLYYAVKV-AKNNAVSPSA-N 0 0 380.231 4.285 50 30 GIEARN C#CCOc1ccccc1CN(C)C(=O)N[C@@H]1CCSc2ccc(C)cc21 ZINC000072270269 570434948 /nfs/dbraw/zinc/43/49/48/570434948.db2.gz RTRLTEMOCDNKLU-LJQANCHMSA-N 0 0 380.513 4.386 50 30 GIEARN C#CCN(Cc1ccco1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000011840211 570437469 /nfs/dbraw/zinc/43/74/69/570437469.db2.gz CCZWIJHDQDDMAO-UHFFFAOYSA-N 0 0 384.435 4.482 50 30 GIEARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000005445728 570439843 /nfs/dbraw/zinc/43/98/43/570439843.db2.gz 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C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1C#N ZINC000006559901 570477011 /nfs/dbraw/zinc/47/70/11/570477011.db2.gz GCQLGRMTKQZKJS-LBPRGKRZSA-N 0 0 381.486 4.273 50 30 GIEARN C=CCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 ZINC000006589306 570485753 /nfs/dbraw/zinc/48/57/53/570485753.db2.gz URTQGUQDDGOQTO-UHFFFAOYSA-N 0 0 390.715 4.484 50 30 GIEARN CC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(C)C)cc1 ZINC000006720403 570490274 /nfs/dbraw/zinc/49/02/74/570490274.db2.gz AHJSXZPWSFPEDT-HSZRJFAPSA-N 0 0 375.472 4.279 50 30 GIEARN CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819566 570495338 /nfs/dbraw/zinc/49/53/38/570495338.db2.gz CUQAOGZOLKHPLO-UYAOXDASSA-N 0 0 375.468 4.262 50 30 GIEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O ZINC000006819509 570495462 /nfs/dbraw/zinc/49/54/62/570495462.db2.gz UKRITWHCNYLXJT-DZGCQCFKSA-N 0 0 397.858 4.059 50 30 GIEARN N#Cc1ccccc1COc1ccccc1/C=C1\NC(=O)N(c2ccccc2)C1=O ZINC000006635312 570509090 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CC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093481 570535495 /nfs/dbraw/zinc/53/54/95/570535495.db2.gz HDKRICRDGRISIS-JIIKEMMSSA-N 0 0 381.501 4.248 50 30 GIEARN N#C[C@@H](C(N)=O)[C@H](SCc1ccccc1)c1ccc(Br)cc1 ZINC000023549809 570541959 /nfs/dbraw/zinc/54/19/59/570541959.db2.gz VIXPFPDPFIOCJJ-HZPDHXFCSA-N 0 0 375.291 4.049 50 30 GIEARN CCc1nc(SCS(=O)(=O)c2ccc(C)cc2)c(C#N)c2c1CCCC2 ZINC000006721142 570549884 /nfs/dbraw/zinc/54/98/84/570549884.db2.gz VEPIWSGQBLFZIU-UHFFFAOYSA-N 0 0 386.542 4.226 50 30 GIEARN C=Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccn2)CC1 ZINC000005354763 570563273 /nfs/dbraw/zinc/56/32/73/570563273.db2.gz RXTMJSYVQDBRSS-UHFFFAOYSA-N 0 0 394.482 4.032 50 30 GIEARN COc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)cc1 ZINC000032984109 570572502 /nfs/dbraw/zinc/57/25/02/570572502.db2.gz XPUNSXWRMKJQJL-UHFFFAOYSA-N 0 0 391.448 4.345 50 30 GIEARN COc1cccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccccc32)c1 ZINC000032984108 570572599 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ZINC000012524214 570676047 /nfs/dbraw/zinc/67/60/47/570676047.db2.gz JXXIPFXSLCWZLE-BHDDXSALSA-N 0 0 383.426 4.206 50 30 GIEARN O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)[C@H](O)Cc2ccccc2)cc1 ZINC000245240608 570699138 /nfs/dbraw/zinc/69/91/38/570699138.db2.gz QOKBYRYSSUNEBZ-JOCHJYFZSA-N 0 0 375.428 4.209 50 30 GIEARN C=CCN(C(=O)c1ccc2c(c1)nnn2CC)c1nc(-c2ccccc2)cs1 ZINC000014723667 570724566 /nfs/dbraw/zinc/72/45/66/570724566.db2.gz NRJUNRWXKIXPMZ-UHFFFAOYSA-N 0 0 389.484 4.408 50 30 GIEARN CCOc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@H]2C1(C#N)C#N ZINC000000989008 570743915 /nfs/dbraw/zinc/74/39/15/570743915.db2.gz GBJWABJKOOVKKW-ZRBLBEILSA-N 0 0 383.451 4.076 50 30 GIEARN N#Cc1ccccc1NC(=O)c1cc(Br)ccc1Br ZINC000001017163 570745902 /nfs/dbraw/zinc/74/59/02/570745902.db2.gz HHNKKJKVWAVVLI-UHFFFAOYSA-N 0 0 380.039 4.336 50 30 GIEARN COc1cccc(/C=N/c2sc(Cc3ccccc3)c(C)c2C(N)=O)c1O ZINC000013124231 570747357 /nfs/dbraw/zinc/74/73/57/570747357.db2.gz XHEZFRUNCVZANT-FSJBWODESA-N 0 0 380.469 4.211 50 30 GIEARN CCc1ccc2nc(-c3cnn(CC)c3)cc(C(=O)N3CCC(C#N)CC3)c2c1 ZINC000063847140 570751403 /nfs/dbraw/zinc/75/14/03/570751403.db2.gz KVMWDQDWFVQWND-UHFFFAOYSA-N 0 0 387.487 4.056 50 30 GIEARN Cc1cccc(-c2nc(NC(=O)N3CCO[C@@H](c4ccccc4Cl)C3)n[nH]2)c1 ZINC000063883076 570752692 /nfs/dbraw/zinc/75/26/92/570752692.db2.gz OHRFJKPAMYAVBJ-QGZVFWFLSA-N 0 0 397.866 4.053 50 30 GIEARN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)o1 ZINC000013510949 570755941 /nfs/dbraw/zinc/75/59/41/570755941.db2.gz WVUOKHPEMKVNKR-ATVHPVEESA-N 0 0 390.351 4.208 50 30 GIEARN COc1ccc(-c2cc(C(=O)Nc3ccccc3C#N)c3c(C)nn(C)c3n2)cc1 ZINC000036613526 570757734 /nfs/dbraw/zinc/75/77/34/570757734.db2.gz UXZXQWCWXZZEDY-UHFFFAOYSA-N 0 0 397.438 4.076 50 30 GIEARN CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]21C ZINC000257358359 570786134 /nfs/dbraw/zinc/78/61/34/570786134.db2.gz SZOCJNYVWVFBFU-JGLPQCJMSA-N 0 0 382.500 4.209 50 30 GIEARN N#CC1(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc32)CCCCC1 ZINC000007160913 570808381 /nfs/dbraw/zinc/80/83/81/570808381.db2.gz QESJLUOYWBPNJM-UHFFFAOYSA-N 0 0 394.422 4.083 50 30 GIEARN C=CCn1c(SCc2noc(C(C)(C)C)n2)nc2sc(C)c(C)c2c1=O ZINC000032778939 570812118 /nfs/dbraw/zinc/81/21/18/570812118.db2.gz QRSOFHSDQGBXQW-UHFFFAOYSA-N 0 0 390.534 4.234 50 30 GIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000006005267 570813461 /nfs/dbraw/zinc/81/34/61/570813461.db2.gz QPMKYLJSIBKXAD-MEDUHNTESA-N 0 0 399.491 4.364 50 30 GIEARN Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1-c1ccc(F)cc1 ZINC000004504567 570817490 /nfs/dbraw/zinc/81/74/90/570817490.db2.gz ZEBDVMHJHPXCSV-UHFFFAOYSA-N 0 0 376.387 4.145 50 30 GIEARN C=CCNC(=S)N/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000004674740 570820910 /nfs/dbraw/zinc/82/09/10/570820910.db2.gz HTXLXAJHXKVFGX-BUVRLJJBSA-N 0 0 375.497 4.403 50 30 GIEARN N#C[C@@H](CN1CCN(c2ccccc2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000012526613 570831249 /nfs/dbraw/zinc/83/12/49/570831249.db2.gz JUHWVWNAMAJLHY-AZGAKELHSA-N 0 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Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccs2)cc1 ZINC000104226603 570898137 /nfs/dbraw/zinc/89/81/37/570898137.db2.gz MOQUWWQSQORJHX-IDTYTIONSA-N 0 0 382.466 4.139 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nccc(C(F)(F)F)n1 ZINC000104665597 570901876 /nfs/dbraw/zinc/90/18/76/570901876.db2.gz JGKCYFUYUYSXET-MHWRWJLKSA-N 0 0 393.434 4.468 50 30 GIEARN N#CCCN1CCN(C(=S)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000023115462 570908603 /nfs/dbraw/zinc/90/86/03/570908603.db2.gz VZOKKXOGWBHZGK-UHFFFAOYSA-N 0 0 393.434 4.172 50 30 GIEARN CCCCCCNC(=O)CC1S/C(=N\c2cccc(Cl)c2C)N(C)C1=O ZINC000105037494 570913340 /nfs/dbraw/zinc/91/33/40/570913340.db2.gz SXUAKBHXRFEDLQ-BWORXHKJSA-N 0 0 395.956 4.296 50 30 GIEARN C[C@@H](CNC(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1)Cn1cccn1 ZINC000105040406 570913514 /nfs/dbraw/zinc/91/35/14/570913514.db2.gz MRZZUZXWICAZLY-INIZCTEOSA-N 0 0 375.432 4.005 50 30 GIEARN Fc1cccc(Cl)c1/C=N\c1ccc2c(c1)OCCOCCOCCO2 ZINC000004588029 570922994 /nfs/dbraw/zinc/92/29/94/570922994.db2.gz 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571001771 /nfs/dbraw/zinc/00/17/71/571001771.db2.gz GHIQFINOWSXUBD-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN CCOc1cccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c1O ZINC000252598433 571004133 /nfs/dbraw/zinc/00/41/33/571004133.db2.gz DAOYDVXVIIBVHK-AHDBMNBVSA-N 0 0 398.484 4.423 50 30 GIEARN CCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=Nc1ccc(OC)cc1 ZINC000252615131 571017929 /nfs/dbraw/zinc/01/79/29/571017929.db2.gz JPGNDLPWOBOQKY-ZSNHWOOMSA-N 0 0 396.468 4.438 50 30 GIEARN C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccs2)cc1OC ZINC000007734682 571026761 /nfs/dbraw/zinc/02/67/61/571026761.db2.gz MGLMFPBDVNJJHI-KRWDZBQOSA-N 0 0 387.501 4.143 50 30 GIEARN O=C(Oc1ccc(C=Nc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000252622535 571034388 /nfs/dbraw/zinc/03/43/88/571034388.db2.gz NXQGRCDUUKGMPG-UHFFFAOYSA-N 0 0 391.339 4.473 50 30 GIEARN C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)SC1=S ZINC000001120246 817374363 /nfs/dbraw/zinc/37/43/63/817374363.db2.gz ZVTPRYLODPVPHI-ATVHPVEESA-N 0 0 399.468 4.432 50 30 GIEARN CCO/C=N/n1c(=O)c2c3c(sc2nc1C1CCCCC1)COC(C)(C)C3 ZINC000002266572 817381668 /nfs/dbraw/zinc/38/16/68/817381668.db2.gz CGXQNIJSLSUCEH-CIAFOILYSA-N 0 0 389.521 4.185 50 30 GIEARN COc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)C(F)F)cc(=O)c2c1 ZINC000002285326 817382485 /nfs/dbraw/zinc/38/24/85/817382485.db2.gz BUWOIYXJOBUCKJ-UHFFFAOYSA-N 0 0 376.199 4.429 50 30 GIEARN CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(F)cc2)c(C)c1)C(F)(F)F ZINC000002305954 817383597 /nfs/dbraw/zinc/38/35/97/817383597.db2.gz ANBVVBHUUVJMOY-SFQCIDFKSA-N 0 0 383.341 4.198 50 30 GIEARN C[C@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4 ZINC000002787124 817400501 /nfs/dbraw/zinc/40/05/01/817400501.db2.gz ZYAGNUBWWFUDTF-OLZOCXBDSA-N 0 0 389.484 4.475 50 30 GIEARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002887895 817404255 /nfs/dbraw/zinc/40/42/55/817404255.db2.gz AIULKYHSYOLDON-UHFFFAOYSA-N 0 0 382.485 4.201 50 30 aggregator GIEARN CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)N[C@H](C)c1ccccc1 ZINC000003185054 817420353 /nfs/dbraw/zinc/42/03/53/817420353.db2.gz IQDRLAKLXQUKLJ-CYBMUJFWSA-N 0 0 379.382 4.345 50 30 GIEARN CC1(C)CC2=C(SC3=N[C@@](c4ccccc4)(C(F)(F)F)NC(=O)N32)C(=O)C1 ZINC000003218485 817423512 /nfs/dbraw/zinc/42/35/12/817423512.db2.gz VXWLOPDFLUHFRU-KRWDZBQOSA-N 0 0 395.406 4.335 50 30 GIEARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 ZINC000003229297 817424943 /nfs/dbraw/zinc/42/49/43/817424943.db2.gz YLJBIVWOZMXECF-HNNXBMFYSA-N 0 0 399.450 4.027 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(Br)c3c(c2)OCOC3)cc1 ZINC000004061268 817500039 /nfs/dbraw/zinc/50/00/39/817500039.db2.gz CLSNRRDALGIFIV-FARCUNLSSA-N 0 0 375.218 4.220 50 30 GIEARN Cc1cc(=O)n2nc(N=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)sc2n1 ZINC000004064984 817500058 /nfs/dbraw/zinc/50/00/58/817500058.db2.gz BOBGCBAIFOSMHY-UHFFFAOYSA-N 0 0 384.505 4.060 50 30 GIEARN CCCCOc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1 ZINC000004188390 817509339 /nfs/dbraw/zinc/50/93/39/817509339.db2.gz YWZWTRRTYUWEHX-XQNSMLJCSA-N 0 0 386.459 4.440 50 30 GIEARN COc1cc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000006048008 817644029 /nfs/dbraw/zinc/64/40/29/817644029.db2.gz MLJSUWLTNMBJNA-FNORWQNLSA-N 0 0 377.780 4.170 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1F ZINC000007336086 817819912 /nfs/dbraw/zinc/81/99/12/817819912.db2.gz QVPFQRCNWSBTMM-HWKANZROSA-N 0 0 381.197 4.207 50 30 GIEARN COc1cc(C#N)ccc1OCc1nc(-c2cc(Br)cs2)no1 ZINC000057466643 823300482 /nfs/dbraw/zinc/30/04/82/823300482.db2.gz ZMCUVCQCICVSPP-UHFFFAOYSA-N 0 0 392.234 4.020 50 30 GIEARN COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000007814941 817922988 /nfs/dbraw/zinc/92/29/88/817922988.db2.gz GKVGUMZSZNVRBV-UHFFFAOYSA-N 0 0 391.452 4.074 50 30 GIEARN CCn1c2ccccc2nc1SCC(=O)Nc1c(C#N)oc2ccccc21 ZINC000007982690 817975101 /nfs/dbraw/zinc/97/51/01/817975101.db2.gz ZNVJAFUKTXYYEI-UHFFFAOYSA-N 0 0 376.441 4.405 50 30 GIEARN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2=O)cc1 ZINC000007983725 817975785 /nfs/dbraw/zinc/97/57/85/817975785.db2.gz LNEFDNMUMOPNKJ-OAQYLSRUSA-N 0 0 396.446 4.492 50 30 GIEARN N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000008000863 817978764 /nfs/dbraw/zinc/97/87/64/817978764.db2.gz OASMXVYSHPSWHN-FQEVSTJZSA-N 0 0 379.510 4.267 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008103653 818000412 /nfs/dbraw/zinc/00/04/12/818000412.db2.gz UYNOWKMARHAOJT-NVXWUHKLSA-N 0 0 391.496 4.341 50 30 GIEARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)ccc12 ZINC000012789358 818182017 /nfs/dbraw/zinc/18/20/17/818182017.db2.gz CVAQEUFYLPFWHN-LBPRGKRZSA-N 0 0 382.803 4.033 50 30 GIEARN Cc1noc2c1[C@@H](c1cccc(O)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000021349675 818679115 /nfs/dbraw/zinc/67/91/15/818679115.db2.gz KPFNKEUGJLDNKT-SPLOXXLWSA-N 0 0 388.423 4.352 50 30 GIEARN C=CCN(Cc1ccco1)Cc1cccc(-c2nc([C@@H]3CCCO3)cc(=O)[nH]2)c1 ZINC000023478520 818944492 /nfs/dbraw/zinc/94/44/92/818944492.db2.gz GGMMXYGFFNTACF-NRFANRHFSA-N 0 0 391.471 4.070 50 30 GIEARN 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Cc1c(C(=O)NCCSCc2ccccc2C#N)sc2nc(C)nc(C)c12 ZINC000036391399 206797634 /nfs/dbraw/zinc/79/76/34/206797634.db2.gz GODOUDVYSVNJGX-UHFFFAOYSA-N 0 0 396.541 4.151 50 30 GIEARN O=S(=O)(N/C(=N\c1ccc(F)c(F)c1F)c1ccccc1)c1ccccc1 ZINC000013125440 206968533 /nfs/dbraw/zinc/96/85/33/206968533.db2.gz WXRCOHDAIVXIEC-UHFFFAOYSA-N 0 0 390.386 4.161 50 30 GIEARN C/C(=N\NC(=S)Nc1ccccc1)c1ccc(I)cc1 ZINC000014166378 207012297 /nfs/dbraw/zinc/01/22/97/207012297.db2.gz NJILAHIHBFWZSM-WOJGMQOQSA-N 0 0 395.269 4.002 50 30 GIEARN C=CCOc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 ZINC000003057404 207019970 /nfs/dbraw/zinc/01/99/70/207019970.db2.gz DEICTKVXWGGUCO-SFHVURJKSA-N 0 0 378.457 4.328 50 30 GIEARN O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1 ZINC000014968232 207035604 /nfs/dbraw/zinc/03/56/04/207035604.db2.gz ULBPQWIGZUGPHU-UHFFFAOYSA-N 0 0 392.221 4.478 50 30 in-vivo GIEARN COc1ccc(NC2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000016156592 207073424 /nfs/dbraw/zinc/07/34/24/207073424.db2.gz AQTRZODJDAHDEI-UHFFFAOYSA-N 0 0 376.456 4.320 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(SC(F)F)cc1 ZINC000018209097 207095460 /nfs/dbraw/zinc/09/54/60/207095460.db2.gz VEJXVHSJBIGQBK-FPQGOQEYSA-N 0 0 391.468 4.166 50 30 GIEARN CCOc1ccc([C@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ncnn32)cc1 ZINC000018197642 207095577 /nfs/dbraw/zinc/09/55/77/207095577.db2.gz UAKPIGTZHVSETH-XOBRGWDASA-N 0 0 392.484 4.154 50 30 GIEARN Cc1cc(C)nc(NC(=N)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 ZINC000019706755 207150212 /nfs/dbraw/zinc/15/02/12/207150212.db2.gz FFXLGARMKIZXIB-UHFFFAOYSA-N 0 0 379.851 4.036 50 30 GIEARN CSc1nc(NCCOC(=O)CC(C)C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000019794139 207162504 /nfs/dbraw/zinc/16/25/04/207162504.db2.gz HCAFBNBTKBPKKP-UHFFFAOYSA-N 0 0 384.505 4.047 50 30 GIEARN CSc1nc(NCCOC(=O)C(C)C)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019794145 207163408 /nfs/dbraw/zinc/16/34/08/207163408.db2.gz IEAOTICOALQUDD-UHFFFAOYSA-N 0 0 390.896 4.002 50 30 GIEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000020322462 207187758 /nfs/dbraw/zinc/18/77/58/207187758.db2.gz MZPCLACDDSLTGO-NRFANRHFSA-N 0 0 376.431 4.432 50 30 GIEARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000020606249 207206599 /nfs/dbraw/zinc/20/65/99/207206599.db2.gz OUNLLZKXHUCYEX-NEPJUHHUSA-N 0 0 385.445 4.059 50 30 GIEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccsc2)nc1 ZINC000022216042 207249484 /nfs/dbraw/zinc/24/94/84/207249484.db2.gz XIJSNBGYZHMFJN-IBGZPJMESA-N 0 0 379.485 4.058 50 30 GIEARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cccc(C#N)c1 ZINC000023731597 207281788 /nfs/dbraw/zinc/28/17/88/207281788.db2.gz VFIATDKGUQWDRP-UHFFFAOYSA-N 0 0 392.890 4.346 50 30 GIEARN Cc1ccc(-c2nc(C#N)c(NC[C@H](c3cccs3)N3CCOCC3)o2)cc1 ZINC000027794054 207331814 /nfs/dbraw/zinc/33/18/14/207331814.db2.gz OMCCIMKNNYCONV-GOSISDBHSA-N 0 0 394.500 4.069 50 30 GIEARN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)C3CCC3)sc2C1 ZINC000039995057 207336613 /nfs/dbraw/zinc/33/66/13/207336613.db2.gz POCOGHQNDKSXQS-CQSZACIVSA-N 0 0 388.533 4.443 50 30 GIEARN CCOc1ccccc1[C@H]1[C@H](C(C)=O)N2C=Cc3ccccc3[C@H]2C1(C#N)C#N ZINC000035369291 207488006 /nfs/dbraw/zinc/48/80/06/207488006.db2.gz PRYHLLMOEDZPCL-VABKMULXSA-N 0 0 383.451 4.201 50 30 GIEARN C[C@H](c1cccc(C(F)(F)F)c1)N(C1CC1)S(=O)(=O)c1cccc(C#N)c1 ZINC000040155788 207587389 /nfs/dbraw/zinc/58/73/89/207587389.db2.gz NUYBYZCXFYMNHG-CYBMUJFWSA-N 0 0 394.418 4.491 50 30 GIEARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(C#N)c4)csc3n2)cc1 ZINC000065079300 207832443 /nfs/dbraw/zinc/83/24/43/207832443.db2.gz GDXHCBKLPKQLKT-UHFFFAOYSA-N 0 0 388.452 4.124 50 30 GIEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4)n3)C2)cc1 ZINC000065147852 207838519 /nfs/dbraw/zinc/83/85/19/207838519.db2.gz YLJFEOWBJAGRSR-LJQANCHMSA-N 0 0 383.455 4.112 50 30 GIEARN Cc1cc(OCC(=O)Nc2cc(C#N)cc([N+](=O)[O-])c2Cl)ccc1Cl ZINC000089587690 208107131 /nfs/dbraw/zinc/10/71/31/208107131.db2.gz DTEZKJBIHSIQJL-UHFFFAOYSA-N 0 0 380.187 4.099 50 30 GIEARN Cc1cccc(-c2nc3ccccc3o2)c1OS(=O)(=O)c1ccccc1C#N ZINC000096279520 208302285 /nfs/dbraw/zinc/30/22/85/208302285.db2.gz NGAPODVDRKMMFM-UHFFFAOYSA-N 0 0 390.420 4.443 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000097104881 208335935 /nfs/dbraw/zinc/33/59/35/208335935.db2.gz AJMBZEDJAUXCQF-KNQAVFIVSA-N 0 0 398.430 4.162 50 30 GIEARN N#CCCn1ccc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)n1 ZINC000097164711 208341674 /nfs/dbraw/zinc/34/16/74/208341674.db2.gz UFAUJGNCTCSBGL-NRFANRHFSA-N 0 0 385.471 4.171 50 30 GIEARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)oc2C)c1 ZINC000096397250 208315180 /nfs/dbraw/zinc/31/51/80/208315180.db2.gz CCYYDWLJGQCNLH-UHFFFAOYSA-N 0 0 397.438 4.327 50 30 GIEARN CCNC(=S)N=NCc1cccc(OCc2ccc(Br)cc2)c1 ZINC000005009763 208664092 /nfs/dbraw/zinc/66/40/92/208664092.db2.gz JVIDIKKPOJYIQM-JAIQZWGSSA-N 0 0 392.322 4.257 50 30 GIEARN COc1ccc(NC(=O)c2ccc(COC(=O)c3ccc(C#N)cc3)cc2)cc1 ZINC000008395411 208696781 /nfs/dbraw/zinc/69/67/81/208696781.db2.gz UTIAZFZLASIFRP-UHFFFAOYSA-N 0 0 386.407 4.176 50 30 GIEARN COc1ccc(Nc2nc3c(C)cccn3c(=O)c2/C=N/Cc2ccccc2)cc1 ZINC000100309228 208703395 /nfs/dbraw/zinc/70/33/95/208703395.db2.gz DZOYBSMNPXWAPV-PCLIKHOPSA-N 0 0 398.466 4.374 50 30 GIEARN N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(c4c[nH]cn4)CC3)cc2)cc1 ZINC000241287493 209020019 /nfs/dbraw/zinc/02/00/19/209020019.db2.gz LLWRRLGWCLHWRT-UHFFFAOYSA-N 0 0 387.443 4.485 50 30 GIEARN C[C@@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012554349 221206104 /nfs/dbraw/zinc/20/61/04/221206104.db2.gz JOSWMKPOULRTQU-SFHVURJKSA-N 0 0 376.504 4.008 50 30 GIEARN C=C(C)CSc1nnc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)s1 ZINC000009379063 518627213 /nfs/dbraw/zinc/62/72/13/518627213.db2.gz TYQPBNVBBFFNLJ-GFCCVEGCSA-N 0 0 394.591 4.392 50 30 GIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=S ZINC000013801454 518824822 /nfs/dbraw/zinc/82/48/22/518824822.db2.gz WSBOJXZFTRFCRY-PDGQHHTCSA-N 0 0 384.526 4.490 50 30 GIEARN C=CCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc21 ZINC000032593377 518835090 /nfs/dbraw/zinc/83/50/90/518835090.db2.gz XJQUPCKMRBNPHW-UHFFFAOYSA-N 0 0 376.412 4.213 50 30 GIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)CC1=O ZINC000004385959 518870059 /nfs/dbraw/zinc/87/00/59/518870059.db2.gz ULHGCSPYMWODOP-IBGZPJMESA-N 0 0 389.499 4.234 50 30 GIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)CC1=O ZINC000004385958 518873335 /nfs/dbraw/zinc/87/33/35/518873335.db2.gz ULHGCSPYMWODOP-LJQANCHMSA-N 0 0 389.499 4.234 50 30 GIEARN C=CCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)C1=O ZINC000000643527 518877836 /nfs/dbraw/zinc/87/78/36/518877836.db2.gz BYARYYIOAOGGNB-VWLOTQADSA-N 0 0 395.462 4.453 50 30 GIEARN C=CCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)C1=O ZINC000020721924 518877978 /nfs/dbraw/zinc/87/79/78/518877978.db2.gz GBOGVVWHRBJTNW-XMMPIXPASA-N 0 0 398.466 4.300 50 30 GIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000037546977 518886088 /nfs/dbraw/zinc/88/60/88/518886088.db2.gz MAKYKASNEPXFRS-UHFFFAOYSA-N 0 0 397.425 4.486 50 30 GIEARN C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C ZINC000003487590 518898107 /nfs/dbraw/zinc/89/81/07/518898107.db2.gz PSUMNXQOHAWBAB-UHFFFAOYSA-N 0 0 398.919 4.290 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000037556005 518901643 /nfs/dbraw/zinc/90/16/43/518901643.db2.gz JCGVAMHZGHOWEG-UHFFFAOYSA-N 0 0 392.430 4.110 50 30 GIEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000015010525 519014926 /nfs/dbraw/zinc/01/49/26/519014926.db2.gz KDDOGPRZHXIAMF-UYRXBGFRSA-N 0 0 381.453 4.497 50 30 GIEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC=C)[C@@H]2c2ccccc2F)cc1 ZINC000016741310 519018306 /nfs/dbraw/zinc/01/83/06/519018306.db2.gz CMMYISSXDABZJR-HXUWFJFHSA-N 0 0 393.414 4.155 50 30 GIEARN C=CCc1cccc(C=N[C@@H]2C(=S)NN=C2c2cccc(OC(C)C)c2)c1O ZINC000102285652 519141286 /nfs/dbraw/zinc/14/12/86/519141286.db2.gz SQODMDVMQXCWCY-IYHCKTHZSA-N 0 0 393.512 4.442 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(C)cc1 ZINC000005500663 519215731 /nfs/dbraw/zinc/21/57/31/519215731.db2.gz STVDQSTYNLFPPU-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1OC ZINC000005478610 519216938 /nfs/dbraw/zinc/21/69/38/519216938.db2.gz SZCMWZRSAJVDEF-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c2scc(CC(C)C)c2c2nc(Cc3ccccc3)nn2c1=O ZINC000032071697 519273044 /nfs/dbraw/zinc/27/30/44/519273044.db2.gz DPJWGCKWSKSVNE-UHFFFAOYSA-N 0 0 378.501 4.081 50 30 GIEARN CCCCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O ZINC000100744788 519916459 /nfs/dbraw/zinc/91/64/59/519916459.db2.gz GWUVWHWADWACSK-UHFFFAOYSA-N 0 0 387.520 4.238 50 30 GIEARN CCCCCCCCOC(=O)c1c(N)n(CCOC)c2nc3ccccc3nc21 ZINC000097998518 520039547 /nfs/dbraw/zinc/03/95/47/520039547.db2.gz BRJOWVQVXIDKRF-UHFFFAOYSA-N 0 0 398.507 4.330 50 30 GIEARN CCCCCCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000102838623 520054432 /nfs/dbraw/zinc/05/44/32/520054432.db2.gz FPDDEIARUCDHOL-FQEVSTJZSA-N 0 0 380.536 4.447 50 30 GIEARN CCCCCCCOC(=O)Cn1c(=O)sc2cc(Br)ccc21 ZINC000100700364 520059570 /nfs/dbraw/zinc/05/95/70/520059570.db2.gz JDBSSNKOOUFVPC-UHFFFAOYSA-N 0 0 386.311 4.339 50 30 GIEARN CCCCCCNC(=O)CC1S/C(=N/c2cccc(Cl)c2C)N(C)C1=O ZINC000004820321 520086430 /nfs/dbraw/zinc/08/64/30/520086430.db2.gz SXUAKBHXRFEDLQ-UFIXSJTLSA-N 0 0 395.956 4.296 50 30 GIEARN CCCNc1c2ccccc2oc(=O)c1NC([O-])=[NH+]c1ccc(OC)c(OC)c1 ZINC000028048670 520127129 /nfs/dbraw/zinc/12/71/29/520127129.db2.gz CEPDCFLTVACJMZ-UHFFFAOYSA-N 0 0 397.431 4.290 50 30 GIEARN CCOC(=O)C(=CNc1cc(-c2ccccc2)nn1Cc1ccccc1)C(C)=O ZINC000100065244 520394444 /nfs/dbraw/zinc/39/44/44/520394444.db2.gz FFDWZHIFZFSQGV-HKWRFOASSA-N 0 0 389.455 4.046 50 30 GIEARN CCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(C)c(C)c2)S1 ZINC000005546184 520472261 /nfs/dbraw/zinc/47/22/61/520472261.db2.gz ZJXYZVBRSKPVKH-BTVXTAIASA-N 0 0 395.528 4.256 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000019972774 520494074 /nfs/dbraw/zinc/49/40/74/520494074.db2.gz HPTVFBGNPQNWPX-GOSISDBHSA-N 0 0 375.415 4.132 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000019536395 520495955 /nfs/dbraw/zinc/49/59/55/520495955.db2.gz SHMAOZLVWYHCFU-QGZVFWFLSA-N 0 0 379.378 4.236 50 30 GIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000019314754 520505973 /nfs/dbraw/zinc/50/59/73/520505973.db2.gz JAYGAWBQMHLLTH-HXUWFJFHSA-N 0 0 396.531 4.310 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(O)c2)C1=O ZINC000036257757 520533393 /nfs/dbraw/zinc/53/33/93/520533393.db2.gz XMEROHMCSHIIDP-LFIBNONCSA-N 0 0 385.416 4.075 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(OCC)cc2)SC(=Cc2ccccn2)C1=O ZINC000036301347 520535741 /nfs/dbraw/zinc/53/57/41/520535741.db2.gz HRUXCEGOCQNLLY-GHRIWEEISA-N 0 0 396.468 4.024 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000103098337 520556124 /nfs/dbraw/zinc/55/61/24/520556124.db2.gz YHRGAQXDLBZILW-NHFXJNLRSA-N 0 0 379.456 4.225 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 ZINC000103098335 520556405 /nfs/dbraw/zinc/55/64/05/520556405.db2.gz YHRGAQXDLBZILW-YDJIHCHBSA-N 0 0 379.456 4.225 50 30 GIEARN CC1(C)Cc2cccc(OCC(=O)[C@H](C#N)c3nc4ccccc4s3)c2O1 ZINC000002649198 520583828 /nfs/dbraw/zinc/58/38/28/520583828.db2.gz TXMRJPUPGXCTPB-AWEZNQCLSA-N 0 0 378.453 4.265 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(Cl)c1O ZINC000096920251 520637838 /nfs/dbraw/zinc/63/78/38/520637838.db2.gz IISVZXBODUEPJF-HJWRWDBZSA-N 0 0 385.847 4.467 50 30 GIEARN CCOc1cc(C=NN2C(=S)N=NC2c2cccs2)ccc1OC(F)F ZINC000036611424 520643671 /nfs/dbraw/zinc/64/36/71/520643671.db2.gz QLKGCNHEBBATTM-DJKKODMXSA-N 0 0 396.444 4.178 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000017861146 520700603 /nfs/dbraw/zinc/70/06/03/520700603.db2.gz JZCUYVHFUAQYEL-FQEVSTJZSA-N 0 0 383.488 4.340 50 30 GIEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000020028806 520792323 /nfs/dbraw/zinc/79/23/23/520792323.db2.gz NSJOQMXFJKLICJ-HXUWFJFHSA-N 0 0 384.907 4.320 50 30 GIEARN CCOc1ccc(-c2csc(N=NCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000005165405 520811214 /nfs/dbraw/zinc/81/12/14/520811214.db2.gz NIHLCNUDXCHTOH-CIAFOILYSA-N 0 0 383.473 4.094 50 30 GIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100557259 520825212 /nfs/dbraw/zinc/82/52/12/520825212.db2.gz SDLCLJYAVNBLEA-DYESRHJHSA-N 0 0 395.499 4.013 50 30 GIEARN CCOC(=O)c1c(NC=C2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000100772875 521375196 /nfs/dbraw/zinc/37/51/96/521375196.db2.gz LNEXLCKVZPETMV-SSDVNMTOSA-N 0 0 381.453 4.201 50 30 GIEARN CCOC(=O)c1c(C)oc2c1C(=CNCc1ccco1)C(=O)c1ccccc1-2 ZINC000100752563 521399636 /nfs/dbraw/zinc/39/96/36/521399636.db2.gz AQSFUKMTEHJQDG-ATVHPVEESA-N 0 0 377.396 4.352 50 30 GIEARN CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000000801607 521425541 /nfs/dbraw/zinc/42/55/41/521425541.db2.gz YRGMNLDVSIICHW-IBGZPJMESA-N 0 0 393.395 4.050 50 30 GIEARN CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 ZINC000036611370 521794852 /nfs/dbraw/zinc/79/48/52/521794852.db2.gz ZUHFGIOIDFLZCO-KEBDBYFISA-N 0 0 378.404 4.382 50 30 GIEARN COc1c2c(cc3c1C=C(C(=O)c1ccc4ccccc4c1)N(C)CC3)OCO2 ZINC000040313361 521886651 /nfs/dbraw/zinc/88/66/51/521886651.db2.gz IECWBBGVEKTQQB-UHFFFAOYSA-N 0 0 387.435 4.289 50 30 GIEARN COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccccc3OC(C)C)S2)cc1 ZINC000018094254 521939734 /nfs/dbraw/zinc/93/97/34/521939734.db2.gz AZDVBHBFTQHQMN-LDADJPATSA-N 0 0 396.468 4.152 50 30 GIEARN CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccc(F)cc2Cl)c1C#N ZINC000020218984 522299027 /nfs/dbraw/zinc/29/90/27/522299027.db2.gz JAPHNKQEZNOVDR-BRJLIKDPSA-N 0 0 397.841 4.153 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(F)F)cc1 ZINC000019790518 522878444 /nfs/dbraw/zinc/87/84/44/522878444.db2.gz ZSGDUKKMGXYUCA-QGZVFWFLSA-N 0 0 391.414 4.065 50 30 GIEARN COC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036257248 522896000 /nfs/dbraw/zinc/89/60/00/522896000.db2.gz SJSYVUHZEUJVMV-LFIBNONCSA-N 0 0 381.453 4.163 50 30 GIEARN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=N)NC#N)c2C#N)cc1 ZINC000012370993 523086509 /nfs/dbraw/zinc/08/65/09/523086509.db2.gz JGRCBWBPTWRJHI-UHFFFAOYSA-N 0 0 399.479 4.226 50 30 GIEARN COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000005670352 523441923 /nfs/dbraw/zinc/44/19/23/523441923.db2.gz ZZBDRPLPBQZPRY-VXLYETTFSA-N 0 0 388.290 4.449 50 30 GIEARN COc1ccc(C(=O)/C=C\c2c(C)nn(Cc3ccccc3)c2C)cc1OC ZINC000096766929 523544959 /nfs/dbraw/zinc/54/49/59/523544959.db2.gz XQDBSNTVTKUFME-QXMHVHEDSA-N 0 0 376.456 4.462 50 30 GIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1 ZINC000018037058 523565037 /nfs/dbraw/zinc/56/50/37/523565037.db2.gz RQVBEEIFXBDBDM-FQEVSTJZSA-N 0 0 389.407 4.067 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1cccc(F)c1 ZINC000100263369 523700034 /nfs/dbraw/zinc/70/00/34/523700034.db2.gz JOMYYGPJZAQWNQ-CYNURGJPSA-N 0 0 391.855 4.069 50 30 GIEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)cc1OC ZINC000005959954 523774412 /nfs/dbraw/zinc/77/44/12/523774412.db2.gz DXGSSDJEDIPQQQ-JAIQZWGSSA-N 0 0 392.363 4.132 50 30 GIEARN COc1ccc(CN(C)C(=O)/C=C\c2cn(CCC#N)c3ccccc23)cc1F ZINC000096852208 523991824 /nfs/dbraw/zinc/99/18/24/523991824.db2.gz WBGRSWCXCRXZKM-LUAWRHEFSA-N 0 0 391.446 4.374 50 30 GIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000005127673 523994988 /nfs/dbraw/zinc/99/49/88/523994988.db2.gz KSIZVLKUYPWLOJ-UXBLZVDNSA-N 0 0 378.255 4.357 50 30 GIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 ZINC000033476476 523995033 /nfs/dbraw/zinc/99/50/33/523995033.db2.gz JDONAFBGMJHURR-XGICHPGQSA-N 0 0 377.362 4.069 50 30 GIEARN COCCOc1ccc(C(=O)/C=C\c2cccc(NC(=O)C(F)(F)F)c2)cc1 ZINC000096130155 524041844 /nfs/dbraw/zinc/04/18/44/524041844.db2.gz GANXEKWPTJCRTP-YHYXMXQVSA-N 0 0 393.361 4.109 50 30 GIEARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000008012390 524139297 /nfs/dbraw/zinc/13/92/97/524139297.db2.gz JNAIVVBISXXLCA-QFIPXVFZSA-N 0 0 392.528 4.481 50 30 GIEARN C[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)C1 ZINC000004313056 524248366 /nfs/dbraw/zinc/24/83/66/524248366.db2.gz QXRWTYKHXFRJOY-SJLPKXTDSA-N 0 0 392.503 4.349 50 30 GIEARN COc1ccccc1/C=C1\CN(C(C)C)C/C(=C\c2ccccc2OC)C1=O ZINC000020470070 524322412 /nfs/dbraw/zinc/32/24/12/524322412.db2.gz OBGYKFYLULQMOI-KVVJQUGZSA-N 0 0 377.484 4.464 50 30 GIEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C)o1)C2=O ZINC000002158188 524362666 /nfs/dbraw/zinc/36/26/66/524362666.db2.gz ZAHRHPWKSCPDMI-NDENLUEZSA-N 0 0 376.364 4.432 50 30 GIEARN COc1ccc(NC(=Nc2ccc(C)cc2)n2sc(C)cc2=N)c(OC)c1 ZINC000020357396 524379252 /nfs/dbraw/zinc/37/92/52/524379252.db2.gz QFPPTVQHTZRYSC-UHFFFAOYSA-N 0 0 382.489 4.311 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2cc3ccccc3o2)c1 ZINC000004332170 524407624 /nfs/dbraw/zinc/40/76/24/524407624.db2.gz CUDLPWGXLFTVDQ-UHFFFAOYSA-N 0 0 376.412 4.153 50 30 GIEARN Cc1ccc(C[C@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 ZINC000013583184 524688304 /nfs/dbraw/zinc/68/83/04/524688304.db2.gz UNECMZKCHQMYMT-OAHLLOKOSA-N 0 0 375.291 4.219 50 30 GIEARN Cc1cc(Cl)ccc1/N=C/N(C)SN(C1CCCCC1)S(C)(=O)=O ZINC000071770454 524880151 /nfs/dbraw/zinc/88/01/51/524880151.db2.gz HVJOPBPUEOHNCD-LDADJPATSA-N 0 0 389.974 4.398 50 30 GIEARN Cc1ccc(NC(=O)C(=NNc2ccccc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000002903560 524991892 /nfs/dbraw/zinc/99/18/92/524991892.db2.gz YPOFUIPXABOKQB-UHFFFAOYSA-N 0 0 386.455 4.349 50 30 GIEARN COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000036612383 525224717 /nfs/dbraw/zinc/22/47/17/525224717.db2.gz DDFDIEMVQXBBGX-HXUWFJFHSA-N 0 0 389.407 4.380 50 30 GIEARN COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000009348907 525228029 /nfs/dbraw/zinc/22/80/29/525228029.db2.gz JIMRNSVFPBQRSP-LFVRLGFBSA-N 0 0 376.456 4.468 50 30 biogenic,in-vitro GIEARN COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000009348905 525393937 /nfs/dbraw/zinc/39/39/37/525393937.db2.gz JIMRNSVFPBQRSP-PSLXWICFSA-N 0 0 376.456 4.468 50 30 biogenic,in-vitro GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3C)c(OC)c1OC ZINC000095117720 525397727 /nfs/dbraw/zinc/39/77/27/525397727.db2.gz YIJNTIMMHJGOEY-ZIAGYGMSSA-N 0 0 394.471 4.339 50 30 GIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(F)cc2)c1 ZINC000018046139 525675770 /nfs/dbraw/zinc/67/57/70/525675770.db2.gz ZLXVAKQMUYGSBR-OAQYLSRUSA-N 0 0 391.446 4.136 50 30 GIEARN C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000006351645 525895295 /nfs/dbraw/zinc/89/52/95/525895295.db2.gz RIQZJLQIBAOVLI-KRWDZBQOSA-N 0 0 392.455 4.367 50 30 GIEARN C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000082120566 525918543 /nfs/dbraw/zinc/91/85/43/525918543.db2.gz HNTMDFGVEKVKSK-SNVBAGLBSA-N 0 0 393.274 4.272 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1 ZINC000102532785 525945582 /nfs/dbraw/zinc/94/55/82/525945582.db2.gz DOQVKLIILKZADR-MRJHHRETSA-N 0 0 384.435 4.325 50 30 GIEARN Cc1c2ccc3ccccc3c2oc1C(=O)OCC(=O)NC1(C#N)CCCC1 ZINC000004989178 525969025 /nfs/dbraw/zinc/96/90/25/525969025.db2.gz XARDQNOAHPSXOE-UHFFFAOYSA-N 0 0 376.412 4.004 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000883285 525982488 /nfs/dbraw/zinc/98/24/88/525982488.db2.gz JIRWHLZNTWYTFG-QFIPXVFZSA-N 0 0 377.440 4.299 50 30 GIEARN CSc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000020028902 526063852 /nfs/dbraw/zinc/06/38/52/526063852.db2.gz GNTMAWCWFYNVOC-OAQYLSRUSA-N 0 0 396.556 4.389 50 30 GIEARN CSc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000020028903 526075119 /nfs/dbraw/zinc/07/51/19/526075119.db2.gz GNTMAWCWFYNVOC-NRFANRHFSA-N 0 0 396.556 4.389 50 30 GIEARN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000013546415 526096885 /nfs/dbraw/zinc/09/68/85/526096885.db2.gz IQSFGISEECTDHE-NDENLUEZSA-N 0 0 379.376 4.357 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000017993736 526270132 /nfs/dbraw/zinc/27/01/32/526270132.db2.gz YJCMCNCTESFGPL-HXUWFJFHSA-N 0 0 389.382 4.314 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000017145509 526270304 /nfs/dbraw/zinc/27/03/04/526270304.db2.gz BBQLSIYXOSWGQM-FQEVSTJZSA-N 0 0 389.382 4.314 50 30 GIEARN Fc1ccc(CN2CCN(C(=S)NCCc3ccccc3)CC2)c(Cl)c1 ZINC000013519152 526334030 /nfs/dbraw/zinc/33/40/30/526334030.db2.gz PQLCXUPBVIKFFG-UHFFFAOYSA-N 0 0 391.943 4.125 50 30 GIEARN Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N[C@H]3C=CC=CC3)n2)c1 ZINC000004478008 526355989 /nfs/dbraw/zinc/35/59/89/526355989.db2.gz RDLWLVWVDRJHRK-FSTGKYBXSA-N 0 0 399.458 4.063 50 30 GIEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 ZINC000004613913 526438714 /nfs/dbraw/zinc/43/87/14/526438714.db2.gz USSVMBKPWHDGCN-LPYMAVHISA-N 0 0 379.347 4.399 50 30 GIEARN N#CCC(=O)Nc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000007653296 526441188 /nfs/dbraw/zinc/44/11/88/526441188.db2.gz MKGFCCUMPJKEAZ-UHFFFAOYSA-N 0 0 397.478 4.491 50 30 GIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)c1ccc2c(c1)OCO2 ZINC000002105025 526442756 /nfs/dbraw/zinc/44/27/56/526442756.db2.gz JAUBWJQZRNJKFD-FBHDLOMBSA-N 0 0 386.359 4.251 50 30 GIEARN N#CCCN(C(=O)COC(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000006829566 526450924 /nfs/dbraw/zinc/45/09/24/526450924.db2.gz RHWCJPUNNDHKOG-UHFFFAOYSA-N 0 0 377.227 4.097 50 30 GIEARN N#C[C@@H](C(=O)c1c[nH]c2cc(Cl)ccc21)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000104107106 526493519 /nfs/dbraw/zinc/49/35/19/526493519.db2.gz LELOCRZOKWHBRP-KXBFYZLASA-N 0 0 391.814 4.230 50 30 GIEARN Cc1noc2c1[C@@H](c1cc(Br)ccc1F)C1=C(CCCC1=O)N2 ZINC000013727461 526675312 /nfs/dbraw/zinc/67/53/12/526675312.db2.gz COQJZYGNPZPHSS-OAHLLOKOSA-N 0 0 377.213 4.449 50 30 GIEARN O=C(c1ccccc1)C1=C(N2CCOCC2)[C@@H](C(=O)c2ccccc2)CCC1 ZINC000000642888 526789208 /nfs/dbraw/zinc/78/92/08/526789208.db2.gz AOTQEOBYXNPPHP-FQEVSTJZSA-N 0 0 375.468 4.139 50 30 GIEARN O=C1CCCC2=Nc3nc(SCc4ccccn4)nn3[C@H](c3cccs3)C12 ZINC000018198783 526967660 /nfs/dbraw/zinc/96/76/60/526967660.db2.gz VYFQUNHJKSPNTN-QGZVFWFLSA-N 0 0 395.513 4.049 50 30 GIEARN O=C(CSc1n[nH]c(N=NC2CCCCC2)n1)Nc1cccc2ccccc21 ZINC000020608311 527049694 /nfs/dbraw/zinc/04/96/94/527049694.db2.gz GMRHAZNJEUOQJA-UHFFFAOYSA-N 0 0 394.504 4.421 50 30 GIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2cccc(F)c2)cc1OC ZINC000040266862 527116133 /nfs/dbraw/zinc/11/61/33/527116133.db2.gz ADNNEUMPEKLCSN-KRWDZBQOSA-N 0 0 391.402 4.156 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1cccs1)CN(Cc1ccncc1)CO3 ZINC000013722960 527125904 /nfs/dbraw/zinc/12/59/04/527125904.db2.gz RXRUCKGLWPFCFW-GRSHGNNSSA-N 0 0 376.437 4.111 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccncc1)CN(Cc1cccs1)CO3 ZINC000020647113 527126123 /nfs/dbraw/zinc/12/61/23/527126123.db2.gz JPCIVNHKGXFJMJ-GRSHGNNSSA-N 0 0 376.437 4.111 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(Cc2ccc(F)cc2)c1C ZINC000007784331 527302469 /nfs/dbraw/zinc/30/24/69/527302469.db2.gz IMYXUXANNJUGNY-UHFFFAOYSA-N 0 0 398.507 4.353 50 30 GIEARN NS(=O)(=O)c1ccc(CCNC=C2CCCC(=Cc3ccccc3)C2=O)cc1 ZINC000105883956 527308783 /nfs/dbraw/zinc/30/87/83/527308783.db2.gz ALTREUJMJNUFBK-FYRADKBESA-N 0 0 396.512 4.027 50 30 GIEARN C/C(=C\C(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1)N(C)C ZINC000091695666 527521028 /nfs/dbraw/zinc/52/10/28/527521028.db2.gz ZYFSNLBOZCJDHC-JLHYYAGUSA-N 0 0 377.410 4.482 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)cc1)Nc1cccc(C)c1 ZINC000032972694 527627598 /nfs/dbraw/zinc/62/75/98/527627598.db2.gz OTKXBHWLTUMBNE-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN CCCCCCCCCO[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]12 ZINC000409413683 528128145 /nfs/dbraw/zinc/12/81/45/528128145.db2.gz RBBZSIFZZRPZPJ-OYSTVDSJSA-N 0 0 386.529 4.150 50 30 GIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C)cc1)NCc1ccccn1 ZINC000046126545 570210171 /nfs/dbraw/zinc/21/01/71/570210171.db2.gz OVFVOGGEMBRDQW-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000046128824 570210843 /nfs/dbraw/zinc/21/08/43/570210843.db2.gz NIWILRHRRFOODE-QGZVFWFLSA-N 0 0 391.393 4.082 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(Cl)ccc2C)c1 ZINC000046129150 570211084 /nfs/dbraw/zinc/21/10/84/570211084.db2.gz WTQFAIOVBFIDQB-GOSISDBHSA-N 0 0 385.895 4.334 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046130663 570211674 /nfs/dbraw/zinc/21/16/74/570211674.db2.gz DUTUQGHWCDPUAD-OAQYLSRUSA-N 0 0 379.504 4.495 50 30 GIEARN CCc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000046131091 570211944 /nfs/dbraw/zinc/21/19/44/570211944.db2.gz ZFBXCHNAHGNTTR-SFHVURJKSA-N 0 0 385.895 4.279 50 30 GIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000046132866 570213392 /nfs/dbraw/zinc/21/33/92/570213392.db2.gz MSNTWZLHXXZCJT-QGZVFWFLSA-N 0 0 389.858 4.164 50 30 GIEARN Cc1ccc(CN2CCN(N=Cc3ccc(Br)s3)CC2)c(C)c1 ZINC000002705087 570215015 /nfs/dbraw/zinc/21/50/15/570215015.db2.gz RUMOQAVYOVHGJS-UHFFFAOYSA-N 0 0 392.366 4.279 50 30 GIEARN COc1ccc(CCNC(=O)c2ccccc2NCc2ccccc2C#N)cc1 ZINC000011551293 570218990 /nfs/dbraw/zinc/21/89/90/570218990.db2.gz XKAOOTMDUUVNKD-UHFFFAOYSA-N 0 0 385.467 4.151 50 30 GIEARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cccc(C#N)c1 ZINC000006128617 570271136 /nfs/dbraw/zinc/27/11/36/570271136.db2.gz JWGHUVPQPWSQGQ-CQSZACIVSA-N 0 0 389.484 4.136 50 30 GIEARN CCn1cc(CN2CCO[C@@H](c3ccc4cc(OC)ccc4c3)C2)cc1C#N ZINC000071730218 570271672 /nfs/dbraw/zinc/27/16/72/570271672.db2.gz DZRUBYMIUJBOPP-HSZRJFAPSA-N 0 0 375.472 4.115 50 30 GIEARN C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S ZINC000000655007 570284373 /nfs/dbraw/zinc/28/43/73/570284373.db2.gz CWJHVRDJNPUSHI-LDADJPATSA-N 0 0 379.485 4.056 50 30 GIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3cc4cc(F)ccc4[nH]3)s2)cc1 ZINC000012890821 570286137 /nfs/dbraw/zinc/28/61/37/570286137.db2.gz WKEMCDMYXXXKOC-UHFFFAOYSA-N 0 0 376.416 4.478 50 30 GIEARN COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000015952880 570299609 /nfs/dbraw/zinc/29/96/09/570299609.db2.gz QGHJYGWAKYAHDK-HXUWFJFHSA-N 0 0 389.407 4.067 50 30 GIEARN Cc1ccc(N2C(=O)CS/C2=N\C(=O)c2ccc(Br)cc2)cc1 ZINC000004832306 570307515 /nfs/dbraw/zinc/30/75/15/570307515.db2.gz INMPWYSCPZJUTM-ZPHPHTNESA-N 0 0 389.274 4.034 50 30 GIEARN C=CCOc1ccc(-c2nonc2NC(=O)[C@H](CC)Oc2ccc(F)cc2)cc1 ZINC000012322099 570313229 /nfs/dbraw/zinc/31/32/29/570313229.db2.gz FSVDPPQTJOQUNN-SFHVURJKSA-N 0 0 397.406 4.237 50 30 GIEARN CCN1C=C(C(=O)C=Cc2ccc(C)cc2)[C@H](c2ccc(OC)cc2)NC1=O ZINC000012321476 570313595 /nfs/dbraw/zinc/31/35/95/570313595.db2.gz GZZWLUZXBFEVRK-UNJYKCMZSA-N 0 0 376.456 4.256 50 30 GIEARN C=CCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000002999021 570325239 /nfs/dbraw/zinc/32/52/39/570325239.db2.gz MOLXDSOVTTWVHU-UHFFFAOYSA-N 0 0 380.440 4.388 50 30 GIEARN Cc1cc2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2c2ccccc12 ZINC000004843494 570326611 /nfs/dbraw/zinc/32/66/11/570326611.db2.gz MAHQHJPBLFETFJ-CQSZACIVSA-N 0 0 387.468 4.182 50 30 GIEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1OCC(F)(F)C(F)(F)F ZINC000003122988 570329343 /nfs/dbraw/zinc/32/93/43/570329343.db2.gz OSUKZNOKKJAHAQ-UHFFFAOYSA-N 0 0 384.135 4.098 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1cccc(Oc2ccccc2)c1 ZINC000007734866 570341045 /nfs/dbraw/zinc/34/10/45/570341045.db2.gz XKCBSXVPGVVHOH-OTOIZHKDSA-N 0 0 392.455 4.090 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Cl)c1 ZINC000023114546 570344593 /nfs/dbraw/zinc/34/45/93/570344593.db2.gz YMEOPDBXWUQALJ-SFHVURJKSA-N 0 0 379.843 4.472 50 30 GIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-n4cnnc4)ccc3Cl)sc2C1 ZINC000004857374 570348031 /nfs/dbraw/zinc/34/80/31/570348031.db2.gz AUENRYWZEBUMLO-LLVKDONJSA-N 0 0 397.891 4.231 50 30 GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000010893942 570350842 /nfs/dbraw/zinc/35/08/42/570350842.db2.gz DFSZKAOTBPQLKN-UHFFFAOYSA-N 0 0 388.452 4.304 50 30 GIEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000004060403 570355949 /nfs/dbraw/zinc/35/59/49/570355949.db2.gz QJJBOHPGHFXDPI-HXUWFJFHSA-N 0 0 383.488 4.252 50 30 GIEARN Cc1cc(C)nc(NC(=N)Nc2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000004133347 570358928 /nfs/dbraw/zinc/35/89/28/570358928.db2.gz CEKBJFYATSGZDS-UHFFFAOYSA-N 0 0 381.867 4.384 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1OCC ZINC000004918336 570365684 /nfs/dbraw/zinc/36/56/84/570365684.db2.gz BTCABBSOCQRFLF-NZQKXSOJSA-N 0 0 394.467 4.413 50 30 GIEARN O=c1[nH][nH]c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2 ZINC000012347142 570368186 /nfs/dbraw/zinc/36/81/86/570368186.db2.gz HRMDDQKLHSLFJW-LJQANCHMSA-N 0 0 387.439 4.259 50 30 GIEARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(C#N)c2)c(OC)c1 ZINC000010950763 570384878 /nfs/dbraw/zinc/38/48/78/570384878.db2.gz QJACNCAOPVWGGU-JOCHJYFZSA-N 0 0 385.423 4.347 50 30 GIEARN COc1ccccc1OCC#CCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000090610380 570385601 /nfs/dbraw/zinc/38/56/01/570385601.db2.gz ZJFNLVKSHYZKBN-UHFFFAOYSA-N 0 0 385.463 4.026 50 30 GIEARN CC[C@@H](C)c1ccc([C@H]2C3=C(Nc4nc(N)[nH]c(=O)c42)c2ccccc2C3=O)cc1 ZINC000004741843 570401029 /nfs/dbraw/zinc/40/10/29/570401029.db2.gz SMVILGAUYCTKEA-PXAZEXFGSA-N 0 0 398.466 4.031 50 30 GIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000004814158 570407736 /nfs/dbraw/zinc/40/77/36/570407736.db2.gz AEEFYCQCQQMPBH-FOIQADDNSA-N 0 0 376.847 4.347 50 30 GIEARN C=CCn1c(Sc2nccc(C(F)(F)F)n2)nnc1-c1ccccc1OC ZINC000013012636 570417942 /nfs/dbraw/zinc/41/79/42/570417942.db2.gz WTNKLECUZAUUDT-UHFFFAOYSA-N 0 0 393.394 4.100 50 30 GIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)c1 ZINC000004916318 570418127 /nfs/dbraw/zinc/41/81/27/570418127.db2.gz RTLZXXQPBAOOBT-HNAYVOBHSA-N 0 0 391.467 4.017 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccccc1OCc1ccccn1 ZINC000524730435 570420982 /nfs/dbraw/zinc/42/09/82/570420982.db2.gz JALHGOONHNGSEV-QGZVFWFLSA-N 0 0 377.440 4.334 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccccc1Cl ZINC000005009627 570423894 /nfs/dbraw/zinc/42/38/94/570423894.db2.gz WIQGEWPRQSCOCL-IXJMWADBSA-N 0 0 378.284 4.158 50 30 GIEARN CC(=NNc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000005289642 570433333 /nfs/dbraw/zinc/43/33/33/570433333.db2.gz HHEGXCXUDJLBGU-WSDLNYQXSA-N 0 0 383.249 4.036 50 30 GIEARN COC(=O)c1ccc2c(c1)NC1=C(C(=O)CC(C)(C)C1)[C@H](c1cccnc1)N2 ZINC000005302854 570433671 /nfs/dbraw/zinc/43/36/71/570433671.db2.gz DKBABKTVBBEHCM-FQEVSTJZSA-N 0 0 377.444 4.090 50 30 GIEARN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000245264987 570435130 /nfs/dbraw/zinc/43/51/30/570435130.db2.gz FHYSSCOTHPGCTN-BBRMVZONSA-N 0 0 392.409 4.195 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2)cc1 ZINC000005595773 570448166 /nfs/dbraw/zinc/44/81/66/570448166.db2.gz WNEOCCRKNAHCDN-NRFANRHFSA-N 0 0 385.419 4.484 50 30 GIEARN C[C@H](OC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000006485671 570448938 /nfs/dbraw/zinc/44/89/38/570448938.db2.gz OSTSJMMSXMVPMI-KRWDZBQOSA-N 0 0 392.455 4.367 50 30 GIEARN COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000006819474 570495493 /nfs/dbraw/zinc/49/54/93/570495493.db2.gz YSZDTRPWHZUCRA-CJNGLKHVSA-N 0 0 381.859 4.353 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000006819703 570495503 /nfs/dbraw/zinc/49/55/03/570495503.db2.gz UENDKUZODGGNTQ-YJBOKZPZSA-N 0 0 381.859 4.353 50 30 GIEARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@H]12 ZINC000005186417 570495554 /nfs/dbraw/zinc/49/55/54/570495554.db2.gz JRVRNBYUKIAXTL-VUUXHMSQSA-N 0 0 390.442 4.129 50 30 GIEARN CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccco1 ZINC000006608961 570499646 /nfs/dbraw/zinc/49/96/46/570499646.db2.gz LPZCIABZUNQPNJ-GOSISDBHSA-N 0 0 391.496 4.335 50 30 GIEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000005214338 570512047 /nfs/dbraw/zinc/51/20/47/570512047.db2.gz GRYHSJNMADRUOA-RSFOSLOZSA-N 0 0 375.856 4.033 50 30 GIEARN C[C@@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000072304542 570515435 /nfs/dbraw/zinc/51/54/35/570515435.db2.gz PFMUJRUQMJBOQL-OAHLLOKOSA-N 0 0 399.479 4.358 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4cccc(O)c4)nn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000006732502 570557316 /nfs/dbraw/zinc/55/73/16/570557316.db2.gz HZSBMBDQAVDWOL-IBGZPJMESA-N 0 0 392.846 4.326 50 30 GIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1CC=CCC1 ZINC000009483169 570559024 /nfs/dbraw/zinc/55/90/24/570559024.db2.gz FXJVOSSDVORWEP-QMHKHESXSA-N 0 0 393.531 4.033 50 30 GIEARN Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccco2)cc1 ZINC000005345312 570560610 /nfs/dbraw/zinc/56/06/10/570560610.db2.gz AGZNRAJXNULASY-LJQANCHMSA-N 0 0 398.422 4.224 50 30 GIEARN Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000005345446 570560699 /nfs/dbraw/zinc/56/06/99/570560699.db2.gz XYRDQBYOZPZFGG-LSHDLFTRSA-N 0 0 377.473 4.077 50 30 GIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccs1 ZINC000004331424 570575688 /nfs/dbraw/zinc/57/56/88/570575688.db2.gz CCPRYCJLAHIYDR-CQSZACIVSA-N 0 0 386.546 4.433 50 30 GIEARN COc1ccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)cc1OC ZINC000005408924 570586303 /nfs/dbraw/zinc/58/63/03/570586303.db2.gz JMYOPYUEBYVAQY-WYMPLXKRSA-N 0 0 386.411 4.141 50 30 GIEARN O=C(N=C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005445340 570595356 /nfs/dbraw/zinc/59/53/56/570595356.db2.gz GRQKXRCHBWXJKN-UHFFFAOYSA-N 0 0 375.340 4.181 50 30 GIEARN NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043443458 570627561 /nfs/dbraw/zinc/62/75/61/570627561.db2.gz HZCZXRSVKNFILZ-UHFFFAOYSA-N 0 0 399.097 4.319 50 30 GIEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(Br)c3)S2)c1 ZINC000005532981 570627896 /nfs/dbraw/zinc/62/78/96/570627896.db2.gz MVTMDQUYMNZDMW-DHDCSXOGSA-N 0 0 389.274 4.355 50 30 GIEARN C=CCN(C(=O)c1cnc(Sc2nccn2C)c(Cl)c1)c1ccccc1 ZINC000060347455 570671667 /nfs/dbraw/zinc/67/16/67/570671667.db2.gz HLQYFNWDOQKKIJ-UHFFFAOYSA-N 0 0 384.892 4.453 50 30 GIEARN N#Cc1cccc(S(=O)(=O)c2cnc3cc(Cl)c(F)cc3c2Cl)c1 ZINC000072329763 570675501 /nfs/dbraw/zinc/67/55/01/570675501.db2.gz LOXYYQFNKGHMAZ-UHFFFAOYSA-N 0 0 381.215 4.385 50 30 GIEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000012523967 570675725 /nfs/dbraw/zinc/67/57/25/570675725.db2.gz OUQWYMQSPJQFGJ-UHFFFAOYSA-N 0 0 395.440 4.151 50 30 GIEARN N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 ZINC000012655366 570696034 /nfs/dbraw/zinc/69/60/34/570696034.db2.gz SFQZIEQANGDPIA-UHFFFAOYSA-N 0 0 388.048 4.233 50 30 GIEARN C[C@@H](NC(=S)Nc1cccc(F)c1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878799 570703361 /nfs/dbraw/zinc/70/33/61/570703361.db2.gz DNWDKRSFUCOBDM-DYVFJYSZSA-N 0 0 379.526 4.047 50 30 GIEARN NC(=NOCc1c(F)cccc1Cl)c1cccc(OCc2cccnc2)c1 ZINC000058003752 570706362 /nfs/dbraw/zinc/70/63/62/570706362.db2.gz XQDWOJBGTLSITK-UHFFFAOYSA-N 0 0 385.826 4.290 50 30 GIEARN COc1ccc(NC(=O)CCNc2oc(-c3ccccc3)nc2C#N)cc1Cl ZINC000032624735 570706618 /nfs/dbraw/zinc/70/66/18/570706618.db2.gz VZPKGHDKMXSMRS-UHFFFAOYSA-N 0 0 396.834 4.316 50 30 GIEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3ccnc(Nc4ccccc4)n3)C2)cc1 ZINC000065147854 570710079 /nfs/dbraw/zinc/71/00/79/570710079.db2.gz YLJFEOWBJAGRSR-IBGZPJMESA-N 0 0 383.455 4.112 50 30 GIEARN COc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(OC)c1 ZINC000000899138 570723323 /nfs/dbraw/zinc/72/33/23/570723323.db2.gz HEAJIILXUFRLJM-UHFFFAOYSA-N 0 0 393.468 4.163 50 30 GIEARN N#Cc1nc(COc2ccc(Br)cc2)oc1NCc1ccccc1 ZINC000000934549 570727372 /nfs/dbraw/zinc/72/73/72/570727372.db2.gz YGYAGKWZWMWUDV-UHFFFAOYSA-N 0 0 384.233 4.500 50 30 GIEARN CCOC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000003145713 570733920 /nfs/dbraw/zinc/73/39/20/570733920.db2.gz DDIAVURDAIONGV-UHFFFAOYSA-N 0 0 382.663 4.458 50 30 GIEARN Cc1ccc2c(c1)nc(-c1cnn(C(C)C)c1)cc2C(=O)N1CCC(C#N)CC1 ZINC000063882684 570752678 /nfs/dbraw/zinc/75/26/78/570752678.db2.gz PZPPXVNJQAWZOV-UHFFFAOYSA-N 0 0 387.487 4.363 50 30 GIEARN N#Cc1c2c(sc1NC(=O)c1nnn(-c3ccccc3)c1C1CC1)CCCC2 ZINC000036636113 570775840 /nfs/dbraw/zinc/77/58/40/570775840.db2.gz OFDOTIMWVFITQW-UHFFFAOYSA-N 0 0 389.484 4.209 50 30 GIEARN CCc1cccc(CC)c1-n1c(=O)cc(O)nc1SCc1ccc(C#N)cc1 ZINC000005937721 570806467 /nfs/dbraw/zinc/80/64/67/570806467.db2.gz UIQFHTFFIJSDQO-UHFFFAOYSA-N 0 0 391.496 4.236 50 30 GIEARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3ccc(C#N)cc3)cc2)cc1 ZINC000036773241 570811769 /nfs/dbraw/zinc/81/17/69/570811769.db2.gz ITSQWEPBEPODLU-UHFFFAOYSA-N 0 0 392.480 4.271 50 30 GIEARN Cc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2N2CCCC2)cc1 ZINC000007256903 570821270 /nfs/dbraw/zinc/82/12/70/570821270.db2.gz NOQIBJGBVLVERZ-UHFFFAOYSA-N 0 0 375.501 4.340 50 30 GIEARN N#CCn1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 ZINC000004676840 570822705 /nfs/dbraw/zinc/82/27/05/570822705.db2.gz YMQWUXCZNCVIBB-RGVLZGJSSA-N 0 0 398.447 4.273 50 30 GIEARN COc1cc(CNc2ncc([N+](=O)[O-])cc2C#N)ccc1OCc1ccccc1 ZINC000032806379 570822772 /nfs/dbraw/zinc/82/27/72/570822772.db2.gz RZDIONQROQPMBK-UHFFFAOYSA-N 0 0 390.399 4.061 50 30 GIEARN Cc1nnc(Sc2nc(-c3ccc(Br)cc3)c[nH]2)c(C#N)c1C ZINC000012525209 570829880 /nfs/dbraw/zinc/82/98/80/570829880.db2.gz DMBUKINNPQWBIX-UHFFFAOYSA-N 0 0 386.278 4.269 50 30 GIEARN COC(=O)c1cnc(NC(=O)c2sc(Cc3ccc(F)cc3)nc2C)s1 ZINC000033162468 570831535 /nfs/dbraw/zinc/83/15/35/570831535.db2.gz SUCXTMQJWHCMBY-UHFFFAOYSA-N 0 0 391.449 4.061 50 30 GIEARN CCCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CCC)n2c(C)nnc2S1 ZINC000004518238 570834777 /nfs/dbraw/zinc/83/47/77/570834777.db2.gz LNENJESGMPWVBJ-UHFFFAOYSA-N 0 0 398.532 4.312 50 30 GIEARN C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)Cc1ccccc1N1CCCCC1 ZINC000012564776 570869763 /nfs/dbraw/zinc/86/97/63/570869763.db2.gz XLZKUVNDXAIVHI-GOSISDBHSA-N 0 0 376.504 4.008 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000170615399 570872961 /nfs/dbraw/zinc/87/29/61/570872961.db2.gz WBLWRBGDHUJOGL-OFNKIYASSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1cc(OC)ccc1OC ZINC000170615398 570872979 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397.482 4.006 50 30 GIEARN C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907438 570907637 /nfs/dbraw/zinc/90/76/37/570907637.db2.gz RBKDCZWIOHKWML-ZIAGYGMSSA-N 0 0 396.516 4.099 50 30 GIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2cccc(Br)c2)cc1 ZINC000006223359 570937127 /nfs/dbraw/zinc/93/71/27/570937127.db2.gz QFRJTENRHZIKRV-GIJQJNRQSA-N 0 0 377.242 4.018 50 30 GIEARN CC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005025687 570945806 /nfs/dbraw/zinc/94/58/06/570945806.db2.gz HDKRICRDGRISIS-FDJFIASXSA-N 0 0 381.501 4.248 50 30 GIEARN CC/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000012650562 570946733 /nfs/dbraw/zinc/94/67/33/570946733.db2.gz VVQQAMFBARERKL-YDZHTSKRSA-N 0 0 396.516 4.496 50 30 GIEARN C=CCOC(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000004747381 570958660 /nfs/dbraw/zinc/95/86/60/570958660.db2.gz ZGYLXQNVVRUVGT-UHFFFAOYSA-N 0 0 378.424 4.109 50 30 GIEARN CN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000252462636 570961274 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N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)sc2c1CCCC2 ZINC000004811044 570997900 /nfs/dbraw/zinc/99/79/00/570997900.db2.gz OJHVNCIZIIAQLQ-LBPRGKRZSA-N 0 0 399.903 4.144 50 30 GIEARN C=CCc1cc([C@@H]2CC(=O)NCc3nc4ccccn4c32)ccc1OC(C)C ZINC000065455005 571001083 /nfs/dbraw/zinc/00/10/83/571001083.db2.gz GKOCPMBCASZVLC-SFHVURJKSA-N 0 0 375.472 4.002 50 30 GIEARN CC(=NO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC3(OCCO3)[C@]12C ZINC000252593998 571002828 /nfs/dbraw/zinc/00/28/28/571002828.db2.gz BOGNVRMACWQKIH-QJGYOZDHSA-N 0 0 391.552 4.209 50 30 GIEARN N#Cc1cccc(COC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1 ZINC000084363875 571014432 /nfs/dbraw/zinc/01/44/32/571014432.db2.gz NTLHQGLVBCHOPH-UHFFFAOYSA-N 0 0 375.403 4.119 50 30 GIEARN CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252613402 571016797 /nfs/dbraw/zinc/01/67/97/571016797.db2.gz JAUUUZXOWLNQOM-UBLAJHMLSA-N 0 0 384.432 4.236 50 30 GIEARN CC[C@H]1CCc2sc(C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779920 571037259 /nfs/dbraw/zinc/03/72/59/571037259.db2.gz ZTANFLFFKPNQJN-GXTWGEPZSA-N 0 0 388.514 4.061 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000003098466 817417605 /nfs/dbraw/zinc/41/76/05/817417605.db2.gz DFZXJSUVGUGVTE-QFIPXVFZSA-N 0 0 394.515 4.206 50 30 GIEARN N#Cc1ccc(NC(=O)COc2ccc(Br)cc2F)cc1Cl ZINC000003174216 817419868 /nfs/dbraw/zinc/41/98/68/817419868.db2.gz JFNJSQXHMMDNQP-UHFFFAOYSA-N 0 0 383.604 4.131 50 30 GIEARN C=CCc1c2c(ccc1OC)n(COC)cc2S(=O)(=O)c1ccc(C)cc1 ZINC000003199872 817421202 /nfs/dbraw/zinc/42/12/02/817421202.db2.gz BBOHJEXKDGLUGN-UHFFFAOYSA-N 0 0 385.485 4.124 50 30 GIEARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)Nc1ccc(C#N)cc1 ZINC000003262852 817429424 /nfs/dbraw/zinc/42/94/24/817429424.db2.gz XBGQRVUMJHVUKF-UHFFFAOYSA-N 0 0 396.859 4.302 50 30 GIEARN COc1ccc(NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1OC ZINC000003352815 817441277 /nfs/dbraw/zinc/44/12/77/817441277.db2.gz XRXGVJTUMSEBET-UHFFFAOYSA-N 0 0 388.423 4.260 50 30 GIEARN CC(C)C(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000004032052 817497981 /nfs/dbraw/zinc/49/79/81/817497981.db2.gz RIECVISGVCOPBP-CQSZACIVSA-N 0 0 394.755 4.379 50 30 GIEARN O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccc(OCc4ccccc4)cc23)nc1 ZINC000004083661 817501623 /nfs/dbraw/zinc/50/16/23/817501623.db2.gz GUSVMFYCSVALJZ-WYMPLXKRSA-N 0 0 387.399 4.496 50 30 GIEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000004084452 817501734 /nfs/dbraw/zinc/50/17/34/817501734.db2.gz YAQZADIVHNJNMJ-RBFBNPFJSA-N 0 0 377.396 4.071 50 30 GIEARN C(=NN1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000004135419 817506349 /nfs/dbraw/zinc/50/63/49/817506349.db2.gz KVDVAWBLDPOQCG-UHFFFAOYSA-N 0 0 385.511 4.417 50 30 GIEARN CC(=O)Nc1ccc(N2CCc3c2n2c4ccccc4nc2c(C#N)c3C)cc1 ZINC000004170432 817507939 /nfs/dbraw/zinc/50/79/39/817507939.db2.gz UFEGEACSNDFNCL-UHFFFAOYSA-N 0 0 381.439 4.320 50 30 aggregator GIEARN CCOc1ccccc1NN=C(C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000004175359 817507950 /nfs/dbraw/zinc/50/79/50/817507950.db2.gz FGYNHSQYOSEHBI-XQNSMLJCSA-N 0 0 393.428 4.457 50 30 GIEARN Cc1cc(SCC(=O)N2CCC(C)CC2)n2c3ccccc3nc2c1C#N ZINC000004270127 817515134 /nfs/dbraw/zinc/51/51/34/817515134.db2.gz UOXZJIFSFYJALZ-UHFFFAOYSA-N 0 0 378.501 4.018 50 30 GIEARN CC(=O)N(c1cc(C)cc(C)c1)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000004281638 817516572 /nfs/dbraw/zinc/51/65/72/817516572.db2.gz XWSLKXQCYWPYKL-UHFFFAOYSA-N 0 0 388.467 4.043 50 30 GIEARN C=CCOc1ccc(CN(C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000006911084 817724217 /nfs/dbraw/zinc/72/42/17/817724217.db2.gz KHHVDJYLZNUDON-UHFFFAOYSA-N 0 0 378.394 4.341 50 30 GIEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000006926836 817727259 /nfs/dbraw/zinc/72/72/59/817727259.db2.gz STKUHIROZSRSSF-UHFFFAOYSA-N 0 0 394.243 4.331 50 30 GIEARN CCOc1ccc(-n2c(SCC#N)nnc2-c2c[nH]c3ccccc32)cc1 ZINC000008090155 817998388 /nfs/dbraw/zinc/99/83/88/817998388.db2.gz KCPXJUSFCZQUSW-UHFFFAOYSA-N 0 0 375.457 4.430 50 30 GIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 ZINC000012108763 818142563 /nfs/dbraw/zinc/14/25/63/818142563.db2.gz XMXWQQKZWFXZPK-MDZDMXLPSA-N 0 0 398.466 4.000 50 30 GIEARN C=C(C)COc1ccc(-c2nc(N)ncc2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000012477854 818163216 /nfs/dbraw/zinc/16/32/16/818163216.db2.gz NDPYHEXUIJTPPK-UHFFFAOYSA-N 0 0 393.443 4.071 50 30 GIEARN Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)o1 ZINC000012860903 818190572 /nfs/dbraw/zinc/19/05/72/818190572.db2.gz QTXMKLANNLPPNC-JMIUGGIZSA-N 0 0 390.347 4.152 50 30 GIEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1c(Cl)cccc1Cl ZINC000013071101 818201688 /nfs/dbraw/zinc/20/16/88/818201688.db2.gz QFUCACBLNVCTIF-DHDCSXOGSA-N 0 0 388.316 4.404 50 30 GIEARN COc1c2c(cc3c1[C@H](CC(=O)/C=C/[C@@H]1CC=C(C)C[C@@H]1C)N(C)CC3)OCO2 ZINC000020112005 818614087 /nfs/dbraw/zinc/61/40/87/818614087.db2.gz FKYITSOBJSHMDA-ACBJADRSSA-N 0 0 397.515 4.461 50 30 GIEARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)c1cccc(C#N)c1 ZINC000058015652 823354808 /nfs/dbraw/zinc/35/48/08/823354808.db2.gz DGRWQXPZKPQPQP-NSHDSACASA-N 0 0 393.668 4.404 50 30 GIEARN Cc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N2CCOCC2)cc1 ZINC000027750022 820282129 /nfs/dbraw/zinc/28/21/29/820282129.db2.gz OEPLMPHQZDVBSL-GOSISDBHSA-N 0 0 394.500 4.069 50 30 GIEARN O=C(Nc1ccc(F)cc1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000059727639 823497321 /nfs/dbraw/zinc/49/73/21/823497321.db2.gz JNTCROGATMFLTJ-UHFFFAOYSA-N 0 0 389.145 4.096 50 30 GIEARN NC(COc1ccc(Cl)cc1Cl)=NOCc1cccc2cccnc21 ZINC000060454337 823529370 /nfs/dbraw/zinc/52/93/70/823529370.db2.gz HAWDGORJWQNLMN-UHFFFAOYSA-N 0 0 376.243 4.409 50 30 GIEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nonc3N[C@H](c3cccs3)C12 ZINC000040283746 821155698 /nfs/dbraw/zinc/15/56/98/821155698.db2.gz BUGIKRMWCVTBOD-APPDUMDISA-N 0 0 382.420 4.250 50 30 GIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccoc3)s2)c(C(F)(F)F)c1 ZINC000047167037 822549972 /nfs/dbraw/zinc/54/99/72/822549972.db2.gz BHZWJIPGAWSGFD-UHFFFAOYSA-N 0 0 377.347 4.470 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)o1 ZINC000006309432 230845902 /nfs/dbraw/zinc/84/59/02/230845902.db2.gz NJOIJZDSTWBZTM-LJQANCHMSA-N 0 0 395.386 4.407 50 30 GIEARN Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)c1ccc2c(c1)OCCO2 ZINC000007906904 230858366 /nfs/dbraw/zinc/85/83/66/230858366.db2.gz ISEPLOWMDJZTHM-CMDGGOBGSA-N 0 0 378.403 4.296 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccncc3)CC(=O)O4)C2=O)cc1 ZINC000217657670 231030509 /nfs/dbraw/zinc/03/05/09/231030509.db2.gz CYPBXOZNIAAXCL-HRVJUDJTSA-N 0 0 399.402 4.147 50 30 GIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000018196227 210217272 /nfs/dbraw/zinc/21/72/72/210217272.db2.gz UEWAUZKCVZNTKH-KPZWWZAWSA-N 0 0 382.876 4.409 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2F)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000018209016 210216313 /nfs/dbraw/zinc/21/63/13/210216313.db2.gz OOOKRUWVXUFODH-MQEPLNOPSA-N 0 0 395.381 4.009 50 30 GIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2C)c1 ZINC000018151897 210213939 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CCc1nc(SCC(=O)Nc2ccc(F)cc2F)c(C#N)c2c1CCCC2 ZINC000012249670 209927371 /nfs/dbraw/zinc/92/73/71/209927371.db2.gz QKLYLIKUORGMSE-UHFFFAOYSA-N 0 0 387.455 4.403 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)on2)c(C#N)c1C ZINC000036686025 209845553 /nfs/dbraw/zinc/84/55/53/209845553.db2.gz BLYRNBLAUIBBLN-UHFFFAOYSA-N 0 0 381.413 4.012 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nccs2)n1 ZINC000008843577 209803724 /nfs/dbraw/zinc/80/37/24/209803724.db2.gz ZEBYFBQLWAXBOQ-UHFFFAOYSA-N 0 0 386.424 4.248 50 30 GIEARN CC(=O)NCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)s1 ZINC000007735087 209742382 /nfs/dbraw/zinc/74/23/82/209742382.db2.gz LGXZZXTTZWCRBK-UHFFFAOYSA-N 0 0 390.464 4.185 50 30 GIEARN N#Cc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000006886394 209703504 /nfs/dbraw/zinc/70/35/04/209703504.db2.gz DLNLJRDDVMJZCM-UHFFFAOYSA-N 0 0 382.847 4.205 50 30 GIEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006229160 209639585 /nfs/dbraw/zinc/63/95/85/209639585.db2.gz 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C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 ZINC000020842052 209176895 /nfs/dbraw/zinc/17/68/95/209176895.db2.gz CPHVYHXQZHWDRC-UHFFFAOYSA-N 0 0 397.569 4.412 50 30 GIEARN C=CCSc1nnc2c(n1)OC(C)(C)Nc1ccc(Br)cc1-2 ZINC000002470560 209171258 /nfs/dbraw/zinc/17/12/58/209171258.db2.gz FFNYDSSNAXGVKG-UHFFFAOYSA-N 0 0 379.283 4.120 50 30 GIEARN C=CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002318631 209171004 /nfs/dbraw/zinc/17/10/04/209171004.db2.gz LNYMHXZEEPJNOI-UHFFFAOYSA-N 0 0 378.819 4.152 50 30 GIEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002284640 209169630 /nfs/dbraw/zinc/16/96/30/209169630.db2.gz XDDPLZMFRUTZCF-UHFFFAOYSA-N 0 0 381.439 4.086 50 30 GIEARN C=CCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CO[C@@](C)(CC)C3 ZINC000001777179 209168795 /nfs/dbraw/zinc/16/87/95/209168795.db2.gz RBTHLMWTIAPHGS-QFIPXVFZSA-N 0 0 393.512 4.300 50 30 GIEARN C=CCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002340709 209168282 /nfs/dbraw/zinc/16/82/82/209168282.db2.gz 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GIEARN CCn1c(-c2cc(NC(=O)c3cccc(C#N)c3)n[nH]2)cc2ccc(OC)cc21 ZINC000096400339 211341441 /nfs/dbraw/zinc/34/14/41/211341441.db2.gz IRUXPWYCTMMCHU-UHFFFAOYSA-N 0 0 385.427 4.184 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccc(C)cc1 ZINC000097105060 211358962 /nfs/dbraw/zinc/35/89/62/211358962.db2.gz GJKCJWOZQABLBW-OFNKIYASSA-N 0 0 394.467 4.332 50 30 GIEARN Cc1oc(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc1Cn1cccn1 ZINC000096397211 211339150 /nfs/dbraw/zinc/33/91/50/211339150.db2.gz HOFXISLIJVUMLQ-UHFFFAOYSA-N 0 0 383.411 4.019 50 30 GIEARN CCOc1ccc(C(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)cn1 ZINC000095953282 211285478 /nfs/dbraw/zinc/28/54/78/211285478.db2.gz ZTWVPMJMAMLENC-UHFFFAOYSA-N 0 0 375.453 4.431 50 30 GIEARN C[C@H](NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(C#N)cc1 ZINC000095951182 211285502 /nfs/dbraw/zinc/28/55/02/211285502.db2.gz DRMYDCQVJDGNOP-NSHDSACASA-N 0 0 386.333 4.118 50 30 GIEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000072265528 211083253 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N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1cccs1 ZINC000019889280 210304380 /nfs/dbraw/zinc/30/43/80/210304380.db2.gz OLWFNGOYTYPSKU-UHFFFAOYSA-N 0 0 376.466 4.111 50 30 GIEARN Cc1cccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000008742738 221054513 /nfs/dbraw/zinc/05/45/13/221054513.db2.gz CSBQVWKFASWXTC-SPLOXXLWSA-N 0 0 392.409 4.280 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000014582583 221312562 /nfs/dbraw/zinc/31/25/62/221312562.db2.gz SNYVIUCWLSPERQ-CYBMUJFWSA-N 0 0 396.497 4.108 50 30 GIEARN C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000013939678 518264228 /nfs/dbraw/zinc/26/42/28/518264228.db2.gz WAJGSSZJCWDMNT-MOSHPQCFSA-N 0 0 393.464 4.252 50 30 GIEARN C=CCN(CC(=O)Nc1ccccc1Br)Cc1ccc(OC)cc1 ZINC000054272382 518757911 /nfs/dbraw/zinc/75/79/11/518757911.db2.gz MMKYAAXFDMKDAE-UHFFFAOYSA-N 0 0 389.293 4.084 50 30 GIEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1 ZINC000002825632 518843282 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C=CCOc1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1Br ZINC000095452235 519067476 /nfs/dbraw/zinc/06/74/76/519067476.db2.gz IGTVOPIDSNCSOT-UHFFFAOYSA-N 0 0 389.249 4.225 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C(=O)OC(C)C)=C(C)N2 ZINC000017243113 519081781 /nfs/dbraw/zinc/08/17/81/519081781.db2.gz VQTUIHAFJXFTBJ-MRXNPFEDSA-N 0 0 397.500 4.243 50 30 GIEARN C=CCc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(OC)c1 ZINC000012578530 519133526 /nfs/dbraw/zinc/13/35/26/519133526.db2.gz FFQSOBWQYBJDAG-IBGZPJMESA-N 0 0 391.471 4.043 50 30 GIEARN C=CCc1ccc(OCCOc2c(Cl)cc(C=O)cc2OC)c(OC)c1 ZINC000002866699 519137259 /nfs/dbraw/zinc/13/72/59/519137259.db2.gz DJOIXJGVMYKBDW-UHFFFAOYSA-N 0 0 376.836 4.356 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccs1 ZINC000001425682 519217569 /nfs/dbraw/zinc/21/75/69/519217569.db2.gz HRRNYVXEHCWTLO-UHFFFAOYSA-N 0 0 392.456 4.202 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccccc1OC ZINC000005518120 519226431 /nfs/dbraw/zinc/22/64/31/519226431.db2.gz 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519940330 /nfs/dbraw/zinc/94/03/30/519940330.db2.gz DQCVQOZFDKXRMZ-XSFVSMFZSA-N 0 0 396.896 4.226 50 30 GIEARN CCCCCCCCNC(=O)c1cccnc1SCC(=O)NCCCC ZINC000102770885 520035777 /nfs/dbraw/zinc/03/57/77/520035777.db2.gz JOWUVBQOUGWTHJ-UHFFFAOYSA-N 0 0 379.570 4.180 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(O)c(O)c1 ZINC000019461102 520256820 /nfs/dbraw/zinc/25/68/20/520256820.db2.gz YUOJGHZSNWJZJN-FPOVZHCZSA-N 0 0 387.435 4.140 50 30 GIEARN CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 ZINC000002225704 520398010 /nfs/dbraw/zinc/39/80/10/520398010.db2.gz ALFCGJCDQVFSTG-NKWDDMGQSA-N 0 0 397.500 4.066 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000019972775 520496497 /nfs/dbraw/zinc/49/64/97/520496497.db2.gz HPTVFBGNPQNWPX-SFHVURJKSA-N 0 0 375.415 4.132 50 30 GIEARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O ZINC000005900371 520517539 /nfs/dbraw/zinc/51/75/39/520517539.db2.gz NQCYXAMEAOZOSD-JAIQZWGSSA-N 0 0 397.427 4.161 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(O)cc2)C1=O ZINC000036257974 520538433 /nfs/dbraw/zinc/53/84/33/520538433.db2.gz YNAYHCROVGRVQD-LFIBNONCSA-N 0 0 385.416 4.075 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000103098388 520557881 /nfs/dbraw/zinc/55/78/81/520557881.db2.gz UGLDBWLEYXAIPN-LFVOPCPISA-N 0 0 383.419 4.056 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000019867100 520827022 /nfs/dbraw/zinc/82/70/22/520827022.db2.gz YECVJGFDPDWYFK-OAQYLSRUSA-N 0 0 379.481 4.459 50 30 GIEARN CCOc1ccc(/C=C(/C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1OC ZINC000005560519 520843956 /nfs/dbraw/zinc/84/39/56/520843956.db2.gz ZSGKVLLZTRKEFQ-PTNGSMBKSA-N 0 0 378.346 4.492 50 30 GIEARN CCOc1ccc(/C=C\C(=O)c2cc(Br)ccc(NC)c2=O)cc1 ZINC000097474775 520851569 /nfs/dbraw/zinc/85/15/69/520851569.db2.gz IQKBXKPMUZXPCE-WDZFZDKYSA-N 0 0 388.261 4.146 50 30 GIEARN CCOc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000017729980 521248307 /nfs/dbraw/zinc/24/83/07/521248307.db2.gz KUIRFNZKEKEWLU-ZRBLBEILSA-N 0 0 383.451 4.076 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000001080299 521277256 /nfs/dbraw/zinc/27/72/56/521277256.db2.gz VIMAFEYDMIJIGA-PZJWPPBQSA-N 0 0 383.419 4.066 50 30 GIEARN CCOc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O ZINC000013655424 521448361 /nfs/dbraw/zinc/44/83/61/521448361.db2.gz TWFPIHSRBFDFTC-JAIQZWGSSA-N 0 0 382.412 4.032 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N/C1CCCCCC1 ZINC000103459120 521528466 /nfs/dbraw/zinc/52/84/66/521528466.db2.gz JNZCUNACGHGWKK-QCLNCQLRSA-N 0 0 387.549 4.366 50 30 GIEARN CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2)c(C)n1 ZINC000032972756 521650545 /nfs/dbraw/zinc/65/05/45/521650545.db2.gz NGNBYJCIBKGCQV-UHFFFAOYSA-N 0 0 393.466 4.139 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000002926403 521709546 /nfs/dbraw/zinc/70/95/46/521709546.db2.gz QVOANCKNJKSRRY-FQEVSTJZSA-N 0 0 385.529 4.259 50 30 GIEARN COC(=O)c1ccc(/C=C(\C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000035403674 521934860 /nfs/dbraw/zinc/93/48/60/521934860.db2.gz LFKXVUNRGCKLOX-PGMHBOJBSA-N 0 0 385.419 4.378 50 30 GIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000013136007 522276219 /nfs/dbraw/zinc/27/62/19/522276219.db2.gz ROHGXJVVLVRSCT-MEBBXXQBSA-N 0 0 387.530 4.287 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2c1C ZINC000024825360 522434909 /nfs/dbraw/zinc/43/49/09/522434909.db2.gz BYONEOVAIDECTR-BQYQJAHWSA-N 0 0 382.397 4.196 50 30 GIEARN COC(=O)C(F)(F)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)Cl ZINC000100045750 522807099 /nfs/dbraw/zinc/80/70/99/522807099.db2.gz MTPAEVBJFREPLP-CRCLSJGQSA-N 0 0 377.442 4.071 50 30 GIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000007699294 522817602 /nfs/dbraw/zinc/81/76/02/522817602.db2.gz VBSNCXWNNYNAQW-FNORWQNLSA-N 0 0 394.370 4.219 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000019856862 522883237 /nfs/dbraw/zinc/88/32/37/522883237.db2.gz MUBGRJCTQFIUBZ-XOBRGWDASA-N 0 0 397.858 4.468 50 30 GIEARN COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000036257176 522896959 /nfs/dbraw/zinc/89/69/59/522896959.db2.gz SCMLBBLLWUTJBT-SFQUDFHCSA-N 0 0 398.459 4.045 50 30 GIEARN COc1ccc(-c2csc(C3=C(N)N([C@H](C)c4ccccc4)CC3=O)n2)cc1 ZINC000034769441 523162526 /nfs/dbraw/zinc/16/25/26/523162526.db2.gz LIBYCQYIGHIJSI-CQSZACIVSA-N 0 0 391.496 4.092 50 30 GIEARN COc1ccc(C(=N)NOC(=O)c2ccc(Cl)cc2)cc1OC1CCCC1 ZINC000004364337 523371991 /nfs/dbraw/zinc/37/19/91/523371991.db2.gz KZMGCPISDHCDHC-UHFFFAOYSA-N 0 0 388.851 4.147 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1Cn1nnc2ccccc21 ZINC000004310041 523402269 /nfs/dbraw/zinc/40/22/69/523402269.db2.gz ABOVCHMGGVPUAX-WUXMJOGZSA-N 0 0 385.423 4.090 50 30 GIEARN CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000033776419 523422190 /nfs/dbraw/zinc/42/21/90/523422190.db2.gz BLRRPGWQQPUFRP-IIGRLWHBSA-N 0 0 394.544 4.305 50 30 GIEARN COc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1Br ZINC000096766932 523435003 /nfs/dbraw/zinc/43/50/03/523435003.db2.gz OUSMGLSRFFNNRE-DAXSKMNVSA-N 0 0 377.234 4.371 50 30 GIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N/c1cccc(Cl)c1 ZINC000102406708 523724174 /nfs/dbraw/zinc/72/41/74/523724174.db2.gz HABGTDLACXOODR-GALDBLJUSA-N 0 0 391.855 4.069 50 30 GIEARN CN(C(=O)COC(=O)c1ccccc1Oc1ccccc1)C1(C#N)CCCCC1 ZINC000006351665 523831964 /nfs/dbraw/zinc/83/19/64/523831964.db2.gz RHCNVZLWMXGSAT-UHFFFAOYSA-N 0 0 392.455 4.321 50 30 GIEARN CCc1ccc(-c2n[nH]cc2C=NNS(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000017081091 523859509 /nfs/dbraw/zinc/85/95/09/523859509.db2.gz YROYXLXECUTXCA-UCQKPKSFSA-N 0 0 396.516 4.075 50 30 GIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1 ZINC000020503233 524073785 /nfs/dbraw/zinc/07/37/85/524073785.db2.gz QMUZOFAKTHOVFF-OAQYLSRUSA-N 0 0 395.528 4.111 50 30 GIEARN COc1cccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000019536557 524170924 /nfs/dbraw/zinc/17/09/24/524170924.db2.gz MUKIKGVVZQODGT-NRFANRHFSA-N 0 0 381.472 4.149 50 30 GIEARN COc1ccccc1/N=C1\NN=C(c2cc(C)n(C[C@H]3CCCO3)c2C)CS1 ZINC000007849589 524329149 /nfs/dbraw/zinc/32/91/49/524329149.db2.gz BYQZGOAVEZVBMT-MRXNPFEDSA-N 0 0 398.532 4.021 50 30 GIEARN Cc1cc(C)nc(NC(=NC(=O)c2ccc(F)cc2)Nc2ccc(F)cc2)n1 ZINC000009301069 524577678 /nfs/dbraw/zinc/57/76/78/524577678.db2.gz FEEWANGSFGRLBQ-UHFFFAOYSA-N 0 0 381.386 4.092 50 30 GIEARN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)o1 ZINC000100447932 524587837 /nfs/dbraw/zinc/58/78/37/524587837.db2.gz WIGCLGUACDFYSF-QFIPXVFZSA-N 0 0 392.455 4.203 50 30 GIEARN COc1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(C)cc2)cc1 ZINC000003048676 524664841 /nfs/dbraw/zinc/66/48/41/524664841.db2.gz ZMMNDRGMMFQMDD-HYARGMPZSA-N 0 0 378.501 4.174 50 30 GIEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2C)nc1 ZINC000027532762 525021181 /nfs/dbraw/zinc/02/11/81/525021181.db2.gz USBAUKLIZZQCAJ-QFIPXVFZSA-N 0 0 387.483 4.305 50 30 GIEARN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000980603 525069543 /nfs/dbraw/zinc/06/95/43/525069543.db2.gz VISUPEWIUZEVEJ-UHFFFAOYSA-N 0 0 397.430 4.475 50 30 GIEARN Cc1ccccc1OCc1ccc(C=NN2C(=S)N=NC2c2ccco2)o1 ZINC000020617985 525315028 /nfs/dbraw/zinc/31/50/28/525315028.db2.gz MRTXWQBJKJPUBG-RGVLZGJSSA-N 0 0 380.429 4.189 50 30 GIEARN Cc1ccc(OCCON=C(N)c2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000058155958 525422663 /nfs/dbraw/zinc/42/26/63/525422663.db2.gz RSURDBJSAPELNJ-UHFFFAOYSA-N 0 0 381.407 4.037 50 30 GIEARN COc1cccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)c1OC(F)F ZINC000096920253 525769809 /nfs/dbraw/zinc/76/98/09/525769809.db2.gz LVWDLQVUXVGKEJ-KHPPLWFESA-N 0 0 387.382 4.320 50 30 GIEARN Cc1ccc(-c2n[nH]c3c2CN(Cc2ccc(C#CC(C)(C)O)s2)CC3)cc1 ZINC000023153331 525791162 /nfs/dbraw/zinc/79/11/62/525791162.db2.gz ZXZDAMLPHMJJDN-UHFFFAOYSA-N 0 0 391.540 4.127 50 30 GIEARN C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1(C#N)CCCCC1 ZINC000006326873 526008956 /nfs/dbraw/zinc/00/89/56/526008956.db2.gz NNRPXRWXTLSZEJ-LBPRGKRZSA-N 0 0 390.896 4.213 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccccc2)cc1 ZINC000017058130 526026817 /nfs/dbraw/zinc/02/68/17/526026817.db2.gz HGCQFXZLGGYWHQ-OAQYLSRUSA-N 0 0 384.435 4.169 50 30 GIEARN N#CC1(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)CCOCC1 ZINC000109138446 526431701 /nfs/dbraw/zinc/43/17/01/526431701.db2.gz SBHUFNZUKPNHSX-UHFFFAOYSA-N 0 0 396.299 4.300 50 30 GIEARN N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000005050342 526467741 /nfs/dbraw/zinc/46/77/41/526467741.db2.gz RMTFPRPIOJROGW-UHFFFAOYSA-N 0 0 395.806 4.278 50 30 GIEARN N#CCSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344131 526480093 /nfs/dbraw/zinc/48/00/93/526480093.db2.gz BZDBVJXJJMONLU-GHMZBOCLSA-N 0 0 385.301 4.203 50 30 GIEARN Cc1noc2c1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2 ZINC000013730248 526675459 /nfs/dbraw/zinc/67/54/59/526675459.db2.gz YMDJRFMDCABLRZ-OAHLLOKOSA-N 0 0 377.213 4.449 50 30 GIEARN Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000013551802 526676263 /nfs/dbraw/zinc/67/62/63/526676263.db2.gz WIJHENCDNLUGRH-VFNWGFHPSA-N 0 0 388.423 4.352 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000102857048 526956977 /nfs/dbraw/zinc/95/69/77/526956977.db2.gz OSEJIHKSNQBYPV-LFVOPCPISA-N 0 0 390.826 4.361 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102879734 526957543 /nfs/dbraw/zinc/95/75/43/526957543.db2.gz IHLPFFBLKRSUFW-WOOAAIBNSA-N 0 0 390.826 4.361 50 30 GIEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(OC)c(OC)c2)o1 ZINC000009764078 527013378 /nfs/dbraw/zinc/01/33/78/527013378.db2.gz QIZWNDHSUBAXSZ-UHFFFAOYSA-N 0 0 397.456 4.284 50 30 GIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nonc3N[C@@H](c3ccccn3)C12 ZINC000020717456 527022736 /nfs/dbraw/zinc/02/27/36/527022736.db2.gz KWKVRDJQYOZDLC-SGTLLEGYSA-N 0 0 393.834 4.098 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C/c1cccnc1)CN(CCc1cccs1)CO3 ZINC000020649743 527124062 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WYRCUIBVEFAYDT-FRKPEAEDSA-N 0 0 393.837 4.164 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(C(=O)C(C)(C)C)[C@@H]1CCCCN21 ZINC000229435585 527553103 /nfs/dbraw/zinc/55/31/03/527553103.db2.gz GQPAZQIRBDLIEU-CVDCTZTESA-N 0 0 376.504 4.221 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 ZINC000013551696 527553595 /nfs/dbraw/zinc/55/35/95/527553595.db2.gz FAZKFLSWHRIETJ-NRFANRHFSA-N 0 0 387.439 4.156 50 30 GIEARN O=C(COc1ccc(Br)cc1Cl)Nc1nnc(C2CCC2)[nH]1 ZINC000097136378 527587330 /nfs/dbraw/zinc/58/73/30/527587330.db2.gz YUFFOXWIUWLYOZ-UHFFFAOYSA-N 0 0 385.649 4.155 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1 ZINC000032972693 527628221 /nfs/dbraw/zinc/62/82/21/527628221.db2.gz KPAUJWSTHFCAOF-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccccc1 ZINC000032972548 527628330 /nfs/dbraw/zinc/62/83/30/527628330.db2.gz LKLWEPAAVYEILL-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(C)c1)Nc1cccc(C)c1 ZINC000032972470 527629048 /nfs/dbraw/zinc/62/90/48/527629048.db2.gz VLXGBSAQRIDMGB-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN O=C(/C=C\c1cnc(N2CCOCC2)s1)c1ccc(N2CCCCCC2)cc1 ZINC000096315912 527659942 /nfs/dbraw/zinc/65/99/42/527659942.db2.gz OSWAIQDMIGGFEO-KTKRTIGZSA-N 0 0 397.544 4.256 50 30 GIEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O ZINC000009048396 527734026 /nfs/dbraw/zinc/73/40/26/527734026.db2.gz CFCKVBVBCOSUDO-FAPYRAKZSA-N 0 0 382.412 4.032 50 30 GIEARN COC(=O)c1ccc(N2[C@@H](C#N)c3ccccc3O[C@@H]2c2ccccc2O)cc1 ZINC000005798267 536738908 /nfs/dbraw/zinc/73/89/08/536738908.db2.gz XNISWUZRAVUTNA-SIKLNZKXSA-N 0 0 386.407 4.341 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccccn2)cc1 ZINC000046126985 570210300 /nfs/dbraw/zinc/21/03/00/570210300.db2.gz PHBQXOGVVIBKGF-UHFFFAOYSA-N 0 0 376.435 4.181 50 30 GIEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2C)c1 ZINC000046128086 570210584 /nfs/dbraw/zinc/21/05/84/570210584.db2.gz PZWMDTPKBANFEP-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NC[C@@H]1CCCO1 ZINC000046129085 570210831 /nfs/dbraw/zinc/21/08/31/570210831.db2.gz VIDHSUWUBBEFRA-IBGZPJMESA-N 0 0 395.503 4.079 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)cc1 ZINC000046129750 570211124 /nfs/dbraw/zinc/21/11/24/570211124.db2.gz GDQKJCYDCNMFBT-NRFANRHFSA-N 0 0 395.503 4.079 50 30 GIEARN CC(C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130639 570211679 /nfs/dbraw/zinc/21/16/79/570211679.db2.gz KONOUHFWRMCWGS-HXUWFJFHSA-N 0 0 383.467 4.326 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019731796 570211885 /nfs/dbraw/zinc/21/18/85/570211885.db2.gz WOLIPBJXTIJDID-FQEVSTJZSA-N 0 0 380.488 4.171 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@@H]2CCCO2)cc1 ZINC000046133317 570212281 /nfs/dbraw/zinc/21/22/81/570212281.db2.gz QLICCQWOADSSDM-NRFANRHFSA-N 0 0 379.504 4.243 50 30 GIEARN N#Cc1c(F)cccc1NCCNC(=O)Nc1ccccc1SC(F)F ZINC000047749845 570214605 /nfs/dbraw/zinc/21/46/05/570214605.db2.gz MZAMJGOUWSIZKQ-UHFFFAOYSA-N 0 0 380.395 4.246 50 30 GIEARN C[C@@H](OC(C)(C)C)[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000096179457 570218844 /nfs/dbraw/zinc/21/88/44/570218844.db2.gz BXTAGOHVBJHJCS-QVKFZJNVSA-N 0 0 381.472 4.296 50 30 GIEARN C#Cc1cccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)c1 ZINC000011937679 570234351 /nfs/dbraw/zinc/23/43/51/570234351.db2.gz JPFZMAIBGKYRAI-XMMPIXPASA-N 0 0 377.447 4.332 50 30 GIEARN CC(=O)N(c1nc(CN(C)Cc2cccc(C#N)c2)cs1)c1ccc(F)cc1 ZINC000048344427 570240198 /nfs/dbraw/zinc/24/01/98/570240198.db2.gz JJDLCXPWDVREFW-UHFFFAOYSA-N 0 0 394.475 4.470 50 30 GIEARN C=CCNC(=O)[C@H](C)OC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000015808213 570264522 /nfs/dbraw/zinc/26/45/22/570264522.db2.gz YAZXOHPXEDVIDG-AWEZNQCLSA-N 0 0 389.904 4.480 50 30 GIEARN CCn1cc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccc(Cl)cc3n2)cn1 ZINC000020543003 570266976 /nfs/dbraw/zinc/26/69/76/570266976.db2.gz ORGMWDJQXQAZQK-UHFFFAOYSA-N 0 0 393.878 4.147 50 30 GIEARN CC(NCc1ccccc1)=C1C(=O)c2ccccc2N(Cc2ccccc2)C1=O ZINC000101153021 570281128 /nfs/dbraw/zinc/28/11/28/570281128.db2.gz XIQQIVCUKHHMBO-PTGBLXJZSA-N 0 0 382.463 4.480 50 30 GIEARN C=CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc(-c2ccccc2)cs1 ZINC000021273235 570283943 /nfs/dbraw/zinc/28/39/43/570283943.db2.gz CWMVSKXICMXGSO-UHFFFAOYSA-N 0 0 398.509 4.046 50 30 GIEARN C=CCc1cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc(OC)c1OC ZINC000021624671 570285943 /nfs/dbraw/zinc/28/59/43/570285943.db2.gz WOZWLZDYPPYNAE-FQEVSTJZSA-N 0 0 381.472 4.418 50 30 GIEARN COC(=O)c1ccc(N2Cc3ccccc3/C2=N/C(=O)c2cccs2)cc1 ZINC000011667655 570301523 /nfs/dbraw/zinc/30/15/23/570301523.db2.gz DFJGYSAEAGSBCZ-QOCHGBHMSA-N 0 0 376.437 4.142 50 30 GIEARN Cc1nc2sc3c(c2c(=O)n1/N=C/c1c(O)ccc2ccccc21)CCCC3 ZINC000022016908 570301905 /nfs/dbraw/zinc/30/19/05/570301905.db2.gz MXQNWRMLTSDGKH-FSJBWODESA-N 0 0 389.480 4.386 50 30 GIEARN CSC(=NS(=O)(=O)c1ccc(Nc2nc3ccccc3o2)cc1)SC ZINC000000726153 570305608 /nfs/dbraw/zinc/30/56/08/570305608.db2.gz QLYMNCUMXBPMPM-UHFFFAOYSA-N 0 0 393.515 4.342 50 30 GIEARN C=CCOc1ccc(CN(C)C(=O)c2sc(NC(=O)C3CC3)cc2C)cc1 ZINC000028417866 570309688 /nfs/dbraw/zinc/30/96/88/570309688.db2.gz JDCRZSBZIWYJRN-UHFFFAOYSA-N 0 0 384.501 4.242 50 30 GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000024833550 570310672 /nfs/dbraw/zinc/31/06/72/570310672.db2.gz QWRPPORLNHDFBP-UHFFFAOYSA-N 0 0 398.806 4.084 50 30 GIEARN N#Cc1ccc(CN2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000023437515 570323566 /nfs/dbraw/zinc/32/35/66/570323566.db2.gz MBGFNXIFTFXIKZ-UHFFFAOYSA-N 0 0 397.478 4.309 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000003018576 570326452 /nfs/dbraw/zinc/32/64/52/570326452.db2.gz HCSGOORIWPJLHV-KRWDZBQOSA-N 0 0 393.405 4.482 50 30 GIEARN Cc1cc(=O)oc2cc(OCC(=O)/C=C3\N(C)c4ccccc4C3(C)C)ccc12 ZINC000007736724 570341022 /nfs/dbraw/zinc/34/10/22/570341022.db2.gz RCFIRYMBRPMDRJ-UUYOSTAYSA-N 0 0 389.451 4.361 50 30 GIEARN COc1ccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)cc1OC ZINC000004859749 570349876 /nfs/dbraw/zinc/34/98/76/570349876.db2.gz AVBMADUELRNCEM-ZMOGYAJESA-N 0 0 385.427 4.155 50 30 GIEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc4c(c3)OCO4)on1)CCCC2 ZINC000004880999 570354624 /nfs/dbraw/zinc/35/46/24/570354624.db2.gz DZGCLPZEEFTOCU-UHFFFAOYSA-N 0 0 393.424 4.135 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccccc1C ZINC000004189027 570362242 /nfs/dbraw/zinc/36/22/42/570362242.db2.gz JIVFBDPFSGQWHN-XWRIVVANSA-N 0 0 376.456 4.226 50 30 GIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2)CC1=O ZINC000004910478 570362852 /nfs/dbraw/zinc/36/28/52/570362852.db2.gz NVEPSQGSLWPCCF-LJQANCHMSA-N 0 0 389.499 4.316 50 30 GIEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)CCC2 ZINC000004285221 570365704 /nfs/dbraw/zinc/36/57/04/570365704.db2.gz LEHYKELVFKDTGU-OAQYLSRUSA-N 0 0 383.488 4.397 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000004919129 570366182 /nfs/dbraw/zinc/36/61/82/570366182.db2.gz OZYVBXCNNLPACD-IFMALSPDSA-N 0 0 380.440 4.023 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)n1 ZINC000004312130 570367152 /nfs/dbraw/zinc/36/71/52/570367152.db2.gz FFJSSICDUZZSCS-FQEVSTJZSA-N 0 0 388.398 4.312 50 30 GIEARN CN1N[C@@H](c2ccccc2)/C(=N\OC(=O)c2ccc(Cl)cc2)SC1=S ZINC000004365174 570371080 /nfs/dbraw/zinc/37/10/80/570371080.db2.gz UEWSSSKVELLVNP-SPPQWUQUSA-N 0 0 391.905 4.020 50 30 GIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000008326851 570372769 /nfs/dbraw/zinc/37/27/69/570372769.db2.gz PFVVUJLWJRPDCQ-MEDUHNTESA-N 0 0 385.489 4.126 50 30 GIEARN CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004934697 570373440 /nfs/dbraw/zinc/37/34/40/570373440.db2.gz ZDGAPVBAKDJXBQ-VOSQQLOXSA-N 0 0 399.491 4.469 50 30 GIEARN N#CC1(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1 ZINC000004958786 570381888 /nfs/dbraw/zinc/38/18/88/570381888.db2.gz RESKGXWSUAOTJP-UHFFFAOYSA-N 0 0 380.288 4.056 50 30 GIEARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C#N)cc1F ZINC000004973341 570385729 /nfs/dbraw/zinc/38/57/29/570385729.db2.gz WWBNWXYSEORJSI-UHFFFAOYSA-N 0 0 388.358 4.161 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(F)cc2)c1=O ZINC000004667436 570391451 /nfs/dbraw/zinc/39/14/51/570391451.db2.gz YEOUGDWNMFQKDA-BJMVGYQFSA-N 0 0 376.225 4.276 50 30 GIEARN C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1csc(-c2ccno2)n1 ZINC000004710119 570396849 /nfs/dbraw/zinc/39/68/49/570396849.db2.gz ZLJRHXYQLUWPGJ-LSFURLLWSA-N 0 0 381.335 4.398 50 30 GIEARN CCc1ccc(-n2c(C)cc(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000004739156 570400709 /nfs/dbraw/zinc/40/07/09/570400709.db2.gz MTKMIMBZYZORIX-HZHRSRAPSA-N 0 0 395.528 4.277 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002878513 570401928 /nfs/dbraw/zinc/40/19/28/570401928.db2.gz ZQAWDDJJWKPYMN-KRWDZBQOSA-N 0 0 393.428 4.228 50 30 GIEARN CCSC1=N/C(=C\c2cc(OC)c(OC)cc2Br)C(=O)S1 ZINC000004755275 570403317 /nfs/dbraw/zinc/40/33/17/570403317.db2.gz QNQOSBPXVIUULX-YHYXMXQVSA-N 0 0 388.308 4.190 50 30 GIEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000004814181 570408023 /nfs/dbraw/zinc/40/80/23/570408023.db2.gz DNBITBJQVUBNAE-RBZFPXEDSA-N 0 0 394.837 4.486 50 30 GIEARN Cn1ccnc1COc1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000040146062 570410189 /nfs/dbraw/zinc/41/01/89/570410189.db2.gz MJWIVUDILVDYIC-YCRREMRBSA-N 0 0 397.818 4.457 50 30 GIEARN COc1cc(/C=C/C(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCC#N ZINC000040140032 570410274 /nfs/dbraw/zinc/41/02/74/570410274.db2.gz FWOPEQIAESFORS-KRXBUXKQSA-N 0 0 377.318 4.392 50 30 GIEARN COCc1ccc(C(=O)Nc2cccc(C#Cc3cccc(C(=O)OC)c3)c2)cc1 ZINC000013001033 570414951 /nfs/dbraw/zinc/41/49/51/570414951.db2.gz CHIZCNKVLXFADM-UHFFFAOYSA-N 0 0 399.446 4.272 50 30 GIEARN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C)cc2)c1 ZINC000004916362 570418165 /nfs/dbraw/zinc/41/81/65/570418165.db2.gz FDUMTOBNHJXEAS-QFBILLFUSA-N 0 0 391.467 4.017 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccc(OC)c3)c2)c1 ZINC000013017280 570418792 /nfs/dbraw/zinc/41/87/92/570418792.db2.gz DEEJFLJREKVAGM-UHFFFAOYSA-N 0 0 385.419 4.134 50 30 GIEARN CCOC(=O)SC1=N/C(=C\c2cc(Cl)cc(OC)c2OC)C(=O)S1 ZINC000004953300 570419783 /nfs/dbraw/zinc/41/97/83/570419783.db2.gz LGUNYQUYOMTNAJ-POHAHGRESA-N 0 0 387.866 4.217 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccccc1OCc1ccccn1 ZINC000524730434 570420945 /nfs/dbraw/zinc/42/09/45/570420945.db2.gz JALHGOONHNGSEV-KRWDZBQOSA-N 0 0 377.440 4.334 50 30 GIEARN C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(Cl)cc1 ZINC000005047956 570425869 /nfs/dbraw/zinc/42/58/69/570425869.db2.gz GRYHSJNMADRUOA-VBHHZLGVSA-N 0 0 375.856 4.033 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000005194467 570431240 /nfs/dbraw/zinc/43/12/40/570431240.db2.gz UTWYFXSOFXTPGO-BUVRLJJBSA-N 0 0 385.471 4.038 50 30 GIEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@H]2c2ccccc2F)cc1 ZINC000011914464 570447658 /nfs/dbraw/zinc/44/76/58/570447658.db2.gz YQJRKWSCUZQSIS-IBGZPJMESA-N 0 0 383.419 4.069 50 30 GIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(C)s3)sc2C1 ZINC000006489708 570449593 /nfs/dbraw/zinc/44/95/93/570449593.db2.gz LQGYACDDTLBGNI-JTQLQIEISA-N 0 0 378.548 4.025 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000005818307 570458346 /nfs/dbraw/zinc/45/83/46/570458346.db2.gz YEOAFTSKHAENIH-OAQYLSRUSA-N 0 0 384.435 4.481 50 30 GIEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2CCCC)cc1OC ZINC000006067044 570465776 /nfs/dbraw/zinc/46/57/76/570465776.db2.gz KGXJGFJVIUKZPG-XSFVSMFZSA-N 0 0 376.526 4.369 50 30 GIEARN O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1c[nH]c2ccccc12 ZINC000252588813 570478435 /nfs/dbraw/zinc/47/84/35/570478435.db2.gz AEBCHTGWKIHYGT-UHFFFAOYSA-N 0 0 394.434 4.339 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccccc1 ZINC000006565677 570479179 /nfs/dbraw/zinc/47/91/79/570479179.db2.gz SYXCRUWJCDGGCY-OAQYLSRUSA-N 0 0 399.402 4.198 50 30 GIEARN C[C@H](CO)[C@@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 ZINC000225606999 570491283 /nfs/dbraw/zinc/49/12/83/570491283.db2.gz DJCOHSGBTJBDRN-MEBBXXQBSA-N 0 0 380.673 4.151 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006222629 570493793 /nfs/dbraw/zinc/49/37/93/570493793.db2.gz RUOKZOYNUJFADU-VYXQJKENSA-N 0 0 378.284 4.158 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1 ZINC000006819659 570495433 /nfs/dbraw/zinc/49/54/33/570495433.db2.gz MTHQRDOXHLYNJH-YOEHRIQHSA-N 0 0 381.859 4.353 50 30 GIEARN O=C1N/C(=N/N=C/c2cccs2)S[C@@H]1Cc1c(Cl)cccc1Cl ZINC000005234007 570523208 /nfs/dbraw/zinc/52/32/08/570523208.db2.gz JMIHCBBUTQUMPD-NACCWKTGSA-N 0 0 384.313 4.219 50 30 GIEARN CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008450006 570531969 /nfs/dbraw/zinc/53/19/69/570531969.db2.gz FDZIZJWPHNBTAW-GQSCTRQFSA-N 0 0 383.488 4.488 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1 ZINC000008564781 570534333 /nfs/dbraw/zinc/53/43/33/570534333.db2.gz YOTXNOWTUOGBOU-MRXNPFEDSA-N 0 0 384.844 4.439 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000008769834 570540942 /nfs/dbraw/zinc/54/09/42/570540942.db2.gz QVJJTTWPHZLECW-MPBGBICISA-N 0 0 396.372 4.111 50 30 GIEARN Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[nH]c1Cc1ccccc1 ZINC000005312488 570552294 /nfs/dbraw/zinc/55/22/94/570552294.db2.gz IYUZDFQAMOUGJV-HNNXBMFYSA-N 0 0 376.485 4.300 50 30 GIEARN CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccccc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732523 570557339 /nfs/dbraw/zinc/55/73/39/570557339.db2.gz RVNGIVDSIPZQBT-OAQYLSRUSA-N 0 0 385.471 4.033 50 30 GIEARN CSc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000009484247 570558903 /nfs/dbraw/zinc/55/89/03/570558903.db2.gz FJCSFSXIQJCVHR-ORAYPTAESA-N 0 0 378.457 4.009 50 30 GIEARN COc1ccc(/C=C2\S/C(=N\c3ccc(F)c(Cl)c3)NC2=O)cc1OC ZINC000005376486 570569103 /nfs/dbraw/zinc/56/91/03/570569103.db2.gz ZJDXGVZGIUACPJ-PXNMLYILSA-N 0 0 392.839 4.388 50 30 GIEARN O=C(c1ccccc1)C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000032984127 570572510 /nfs/dbraw/zinc/57/25/10/570572510.db2.gz NZUDKAMAPTZAOS-UHFFFAOYSA-N 0 0 379.412 4.475 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1ccc(F)cc1 ZINC000225509808 570581909 /nfs/dbraw/zinc/58/19/09/570581909.db2.gz JNWOJHMVINNLNO-KNQAVFIVSA-N 0 0 398.430 4.162 50 30 GIEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000033011289 570623928 /nfs/dbraw/zinc/62/39/28/570623928.db2.gz JKLMKENCTSOIBA-UHFFFAOYSA-N 0 0 390.424 4.259 50 30 GIEARN N#CCCN(C(=O)COC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000006829565 570627945 /nfs/dbraw/zinc/62/79/45/570627945.db2.gz HHZLMMQSWPAZGV-UHFFFAOYSA-N 0 0 391.254 4.026 50 30 GIEARN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc1Cl ZINC000072312969 570649504 /nfs/dbraw/zinc/64/95/04/570649504.db2.gz KMYFXUPHOIZHOL-UHFFFAOYSA-N 0 0 398.831 4.149 50 30 GIEARN S=c1[nH]ncn1N=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000005632774 570676469 /nfs/dbraw/zinc/67/64/69/570676469.db2.gz RSPVORPGNXGSDQ-DJKKODMXSA-N 0 0 389.278 4.164 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(C)cc(C)c1C#N ZINC000005643171 570679152 /nfs/dbraw/zinc/67/91/52/570679152.db2.gz XXXUEEAVTNMMKK-UHFFFAOYSA-N 0 0 391.500 4.103 50 30 GIEARN CCOc1ccc(C(=O)/C=C/c2cc(O)c(OC)cc2Br)cc1 ZINC000008321628 570679639 /nfs/dbraw/zinc/67/96/39/570679639.db2.gz JLKWYGLBEZTCNX-RMKNXTFCSA-N 0 0 377.234 4.458 50 30 GIEARN COc1ccccc1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000000872698 570682032 /nfs/dbraw/zinc/68/20/32/570682032.db2.gz BKRCNWPVJUMCJR-UHFFFAOYSA-N 0 0 377.469 4.463 50 30 GIEARN Cc1cc(C)nc(NC(=NC(=S)Nc2ccccc2)NCc2ccccc2)n1 ZINC000014156574 570705330 /nfs/dbraw/zinc/70/53/30/570705330.db2.gz INKOLQYOLGNAOL-UHFFFAOYSA-N 0 0 390.516 4.048 50 30 GIEARN CN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1(C#N)CCC1 ZINC000058391256 570730182 /nfs/dbraw/zinc/73/01/82/570730182.db2.gz QQOQERVFQJMEQO-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/78/79/95/570787995.db2.gz XHWXRUNBTDCCPF-LCUIJRPUSA-N 0 0 381.479 4.478 50 30 GIEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000004457560 570789972 /nfs/dbraw/zinc/78/99/72/570789972.db2.gz JBCYWAPYMMMPRH-BZSISCHUSA-N 0 0 383.561 4.383 50 30 GIEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005860792 570798128 /nfs/dbraw/zinc/79/81/28/570798128.db2.gz ZOCMQGWSCJSENO-MRXNPFEDSA-N 0 0 395.528 4.471 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864609 570798955 /nfs/dbraw/zinc/79/89/55/570798955.db2.gz KCVWKADFQFXOKQ-HNNXBMFYSA-N 0 0 399.541 4.310 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2cccc(Cl)c2Cl)cc1 ZINC000006016648 570814298 /nfs/dbraw/zinc/81/42/98/570814298.db2.gz JLXIMGLICGVRFH-KRWDZBQOSA-N 0 0 379.195 4.295 50 30 GIEARN Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122138 570815286 /nfs/dbraw/zinc/81/52/86/570815286.db2.gz DKSDQRCPFPHCCK-WOJGMQOQSA-N 0 0 376.485 4.444 50 30 GIEARN N#CCCN(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccc1F ZINC000007341689 570831899 /nfs/dbraw/zinc/83/18/99/570831899.db2.gz DBTYGLBLPCGCRX-UHFFFAOYSA-N 0 0 379.479 4.027 50 30 GIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O ZINC000012539558 570838513 /nfs/dbraw/zinc/83/85/13/570838513.db2.gz YSJPSJAWFNACRO-IBGZPJMESA-N 0 0 389.499 4.234 50 30 GIEARN COc1cc(Cl)cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1O ZINC000004704712 570853758 /nfs/dbraw/zinc/85/37/58/570853758.db2.gz XRULFBOSCZKROQ-AUWJEWJLSA-N 0 0 378.812 4.085 50 30 GIEARN CSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004716110 570856535 /nfs/dbraw/zinc/85/65/35/570856535.db2.gz YBBXBXBZYCLHCK-MRXNPFEDSA-N 0 0 386.546 4.380 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccsc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000170615401 570872949 /nfs/dbraw/zinc/87/29/49/570872949.db2.gz WTQYWMPLIGCHDX-JXFKEZNVSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(C)c1 ZINC000170615231 570873855 /nfs/dbraw/zinc/87/38/55/570873855.db2.gz IBJWFGBPTCFLQP-FYYLOGMGSA-N 0 0 394.467 4.332 50 30 GIEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000170623820 570881728 /nfs/dbraw/zinc/88/17/28/570881728.db2.gz XDHKMJPWBFQQRZ-UHFFFAOYSA-N 0 0 393.251 4.494 50 30 GIEARN C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl ZINC000003667671 570882179 /nfs/dbraw/zinc/88/21/79/570882179.db2.gz SVPMKEKBGSBJCC-VBKFSLOCSA-N 0 0 376.909 4.295 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000104210188 570898057 /nfs/dbraw/zinc/89/80/57/570898057.db2.gz GGNIQIBAUGRRDL-JBCNATCCSA-N 0 0 384.435 4.325 50 30 GIEARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cc4ccccc4[nH]c3=O)n2)C1 ZINC000032907439 570907609 /nfs/dbraw/zinc/90/76/09/570907609.db2.gz RBKDCZWIOHKWML-OKILXGFUSA-N 0 0 396.516 4.099 50 30 GIEARN COc1ccc(OC)c(C(=O)C=CNc2ccc(F)cc2Br)c1 ZINC000051318572 570910648 /nfs/dbraw/zinc/91/06/48/570910648.db2.gz WZFNXNAOONHRMM-BQYQJAHWSA-N 0 0 380.213 4.414 50 30 GIEARN COc1cccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)c1 ZINC000003415913 570934731 /nfs/dbraw/zinc/93/47/31/570934731.db2.gz PSTJEAQXHBWCBZ-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN O=C[C@@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001236717 570944856 /nfs/dbraw/zinc/94/48/56/570944856.db2.gz PJVCFMWHRGYLTG-NVXWUHKLSA-N 0 0 383.494 4.068 50 30 GIEARN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccn1 ZINC000002395714 570947596 /nfs/dbraw/zinc/94/75/96/570947596.db2.gz BJCMFFJQWHFSIF-UHFFFAOYSA-N 0 0 393.516 4.128 50 30 GIEARN C#CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCc2ccccc21 ZINC000047405904 570955646 /nfs/dbraw/zinc/95/56/46/570955646.db2.gz ODVWDPPOOAIKNW-HSZRJFAPSA-N 0 0 398.510 4.050 50 30 GIEARN O=C(C=C1NCCNC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004171304 570973706 /nfs/dbraw/zinc/97/37/06/570973706.db2.gz WYNWUVXGDPAZLH-WHYMJUELSA-N 0 0 387.266 4.020 50 30 GIEARN CC(=O)[C@@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000108520074 570989222 /nfs/dbraw/zinc/98/92/22/570989222.db2.gz LKNUEHIZNUCUFJ-TYPHKJRUSA-N 0 0 375.378 4.081 50 30 GIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2cc(C#N)ccn2)c1C#N ZINC000084051689 570991664 /nfs/dbraw/zinc/99/16/64/570991664.db2.gz VFKQQHLZPGHDHO-UHFFFAOYSA-N 0 0 379.489 4.089 50 30 GIEARN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000007605291 570998002 /nfs/dbraw/zinc/99/80/02/570998002.db2.gz VZHYKZMNMOYWEG-LLVKDONJSA-N 0 0 390.534 4.193 50 30 GIEARN CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CCCC3=O)s1 ZINC000001422414 570999412 /nfs/dbraw/zinc/99/94/12/570999412.db2.gz FNKQJDSWBYFXMT-JTQLQIEISA-N 0 0 391.543 4.239 50 30 GIEARN C=CCc1cc([C@@H]2CC(=O)Nc3cc(O)c(OC)cc32)cc(OCC)c1OC ZINC000065499817 571001197 /nfs/dbraw/zinc/00/11/97/571001197.db2.gz UVRHOUMOULMDLI-HNNXBMFYSA-N 0 0 383.444 4.011 50 30 GIEARN COc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1ccncc1 ZINC000045939606 571001388 /nfs/dbraw/zinc/00/13/88/571001388.db2.gz DDSHXIBTFFNENH-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CC(=NOCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1cccs1 ZINC000252594380 571002864 /nfs/dbraw/zinc/00/28/64/571002864.db2.gz BSGHJOVXRULGGJ-UHFFFAOYSA-N 0 0 383.502 4.220 50 30 GIEARN Oc1ccc2ccccc2c1CN=Nc1ncnc2c1cnn2-c1ccccc1 ZINC000252619432 571022664 /nfs/dbraw/zinc/02/26/64/571022664.db2.gz LPEQSJOBNNJKGS-UHFFFAOYSA-N 0 0 380.411 4.120 50 30 GIEARN C[C@H]1CCc2sc(C(=O)OCC(=O)Nc3c(C#N)oc4ccccc43)cc2C1 ZINC000007737708 571028122 /nfs/dbraw/zinc/02/81/22/571028122.db2.gz JKASRTIXBOWCLK-LBPRGKRZSA-N 0 0 394.452 4.286 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012781936 571035382 /nfs/dbraw/zinc/03/53/82/571035382.db2.gz CIHPQKVNMBPCKM-FQEVSTJZSA-N 0 0 380.473 4.036 50 30 GIEARN COc1ccc(C=NN2CCOCC2)cc1CSc1nc2ccccc2s1 ZINC000252624401 571037706 /nfs/dbraw/zinc/03/77/06/571037706.db2.gz PNJDQOGHNQWNLH-UHFFFAOYSA-N 0 0 399.541 4.263 50 30 GIEARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cn1 ZINC000229786092 571043831 /nfs/dbraw/zinc/04/38/31/571043831.db2.gz 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ZINC000003318474 817435955 /nfs/dbraw/zinc/43/59/55/817435955.db2.gz FEDFCVOUPSSOHC-UHFFFAOYSA-N 0 0 395.846 4.198 50 30 GIEARN C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccncc1 ZINC000003332501 817438310 /nfs/dbraw/zinc/43/83/10/817438310.db2.gz UJBUCQIYIJZPHX-UHFFFAOYSA-N 0 0 378.501 4.426 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004150311 817506796 /nfs/dbraw/zinc/50/67/96/817506796.db2.gz BFQWNIUQIKDHKC-MRXNPFEDSA-N 0 0 397.500 4.150 50 30 GIEARN O=C(O/N=C(/c1ccccc1)c1ccncc1)c1cccc(Br)c1 ZINC000004183740 817509179 /nfs/dbraw/zinc/50/91/79/817509179.db2.gz QWQCHONHYFSTMM-PYCFMQQDSA-N 0 0 381.229 4.454 50 30 GIEARN CCOC(=O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)=O ZINC000005591968 817599164 /nfs/dbraw/zinc/59/91/64/817599164.db2.gz ZYTAPFMXIOMEPK-MOSHPQCFSA-N 0 0 378.403 4.214 50 30 GIEARN N#Cc1ccc(CSc2nc3ncccc3c(=O)n2Cc2ccccc2)cc1 ZINC000006805015 817718253 /nfs/dbraw/zinc/71/82/53/817718253.db2.gz RMUVAWHBINTSRG-UHFFFAOYSA-N 0 0 384.464 4.004 50 30 GIEARN N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 ZINC000006889113 817721820 /nfs/dbraw/zinc/72/18/20/817721820.db2.gz KBBAKUNPOSDVAD-YBFXNURJSA-N 0 0 387.370 4.050 50 30 GIEARN COCc1cc(C)nc(SCC(=O)c2c(C)n(C)c3ccccc32)c1C#N ZINC000007462424 817847507 /nfs/dbraw/zinc/84/75/07/817847507.db2.gz WINUPIYUBSFXME-UHFFFAOYSA-N 0 0 379.485 4.183 50 30 GIEARN COc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC(F)F ZINC000011334727 818073480 /nfs/dbraw/zinc/07/34/80/818073480.db2.gz GPXMHGZQLDSWPH-CMDGGOBGSA-N 0 0 389.398 4.029 50 30 GIEARN C[C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1sccc1C#N ZINC000012823348 818184846 /nfs/dbraw/zinc/18/48/46/818184846.db2.gz KOHZHGHVDYSTSU-TZOMUSMUSA-N 0 0 399.476 4.167 50 30 GIEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)CC[C@@]1(Cc2ccco2)CCC(=O)N1 ZINC000014988240 818280891 /nfs/dbraw/zinc/28/08/91/818280891.db2.gz DRFUFQNADUEITN-MZLICYQSSA-N 0 0 396.531 4.319 50 30 GIEARN COc1ccc([C@H](C/N=C\c2c(O)ccc3ccccc32)N2CCOCC2)cc1 ZINC000035741501 821066664 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N#Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000013000599 210044181 /nfs/dbraw/zinc/04/41/81/210044181.db2.gz XOKDNORTTUVRBE-UHFFFAOYSA-N 0 0 391.862 4.449 50 30 GIEARN CCCCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008426358 209782039 /nfs/dbraw/zinc/78/20/39/209782039.db2.gz IUKCMTMIVXZIKH-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1F ZINC000008381726 209777070 /nfs/dbraw/zinc/77/70/70/209777070.db2.gz FHQDEABWTJJNLZ-SFHVURJKSA-N 0 0 375.403 4.282 50 30 GIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3ccncc3)C12 ZINC000007496037 209732205 /nfs/dbraw/zinc/73/22/05/209732205.db2.gz PFATZXYKDNSTTQ-OYHNWAKOSA-N 0 0 382.423 4.440 50 30 GIEARN CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819564 209693540 /nfs/dbraw/zinc/69/35/40/209693540.db2.gz CUQAOGZOLKHPLO-QUCCMNQESA-N 0 0 375.468 4.262 50 30 GIEARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccccc2C#N)n1)CCC3 ZINC000006114222 209630201 /nfs/dbraw/zinc/63/02/01/209630201.db2.gz UKYVMRNVKALUKG-UHFFFAOYSA-N 0 0 380.498 4.091 50 30 GIEARN CC(=O)N(c1nc(COC(=O)c2ccc(C#N)cc2)cs1)c1cccc(C)c1 ZINC000005507003 209599182 /nfs/dbraw/zinc/59/91/82/209599182.db2.gz FTOCNFCQLJWOLS-UHFFFAOYSA-N 0 0 391.452 4.365 50 30 GIEARN CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1ccc(O)c(OC)c1 ZINC000005455910 209596441 /nfs/dbraw/zinc/59/64/41/209596441.db2.gz NGBAPPCGSRAYFD-DHRITJCHSA-N 0 0 399.454 4.390 50 30 GIEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 ZINC000005443078 209593312 /nfs/dbraw/zinc/59/33/12/209593312.db2.gz ZAZAASIRZAEPPA-KRWDZBQOSA-N 0 0 384.505 4.057 50 30 GIEARN CCCCCOc1ccc(-c2n[nH]c(=O)cc2NN=Cc2cccc(O)c2)cc1 ZINC000005313949 209587727 /nfs/dbraw/zinc/58/77/27/209587727.db2.gz CASWJPJAFJKYQO-HZHRSRAPSA-N 0 0 392.459 4.158 50 30 GIEARN CN(C)c1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1 ZINC000005090762 209566860 /nfs/dbraw/zinc/56/68/60/209566860.db2.gz OZBWMKUXDHFFFT-LFYBBSHMSA-N 0 0 377.225 4.253 50 30 GIEARN CCC(C)(C)C1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000004979663 209554418 /nfs/dbraw/zinc/55/44/18/209554418.db2.gz LPQVNGAZRIGSPI-UHFFFAOYSA-N 0 0 381.498 4.164 50 30 GIEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1 ZINC000004959797 209552242 /nfs/dbraw/zinc/55/22/42/209552242.db2.gz WRRFFZNRXBOENN-UHFFFAOYSA-N 0 0 378.413 4.054 50 30 GIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 ZINC000004616761 209502051 /nfs/dbraw/zinc/50/20/51/209502051.db2.gz KEVFMKLVUYCJIL-VFOOBRQFSA-N 0 0 387.892 4.320 50 30 GIEARN N#Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000004122625 209464892 /nfs/dbraw/zinc/46/48/92/209464892.db2.gz WOVYQCFTUXUPHQ-UHFFFAOYSA-N 0 0 396.472 4.259 50 30 GIEARN O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000004085552 209463327 /nfs/dbraw/zinc/46/33/27/209463327.db2.gz DVJYVUAKYRCLAW-WATITHJCSA-N 0 0 383.360 4.374 50 30 GIEARN CCCOc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC ZINC000002885172 209395627 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GIEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(F)c1 ZINC000002238451 209351080 /nfs/dbraw/zinc/35/10/80/209351080.db2.gz JOMYYGPJZAQWNQ-VGLIXDPASA-N 0 0 391.855 4.069 50 30 GIEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C ZINC000002208400 209349688 /nfs/dbraw/zinc/34/96/88/209349688.db2.gz IKCAJUYLTOBDSZ-UHFFFAOYSA-N 0 0 394.585 4.312 50 30 GIEARN Cc1c(C#N)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc1C(=O)OC(C)C ZINC000002081540 209346503 /nfs/dbraw/zinc/34/65/03/209346503.db2.gz ZNCLOVWGTHGECG-RMKNXTFCSA-N 0 0 399.428 4.054 50 30 GIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1O ZINC000001260449 209318083 /nfs/dbraw/zinc/31/80/83/209318083.db2.gz MMUSBKLJSQKWOY-UFWORHAWSA-N 0 0 395.271 4.137 50 30 GIEARN S=C1N=NC(COc2ccccc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000001240258 209318127 /nfs/dbraw/zinc/31/81/27/209318127.db2.gz QXNSOMYTOBHFNR-DJKKODMXSA-N 0 0 379.272 4.335 50 30 GIEARN S=C1N=NC(COc2ccccc2)N1N=Cc1cccc(Cl)c1Cl ZINC000001475891 209330174 /nfs/dbraw/zinc/33/01/74/209330174.db2.gz 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CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000002639800 211516091 /nfs/dbraw/zinc/51/60/91/211516091.db2.gz QQWWSYSWQUEDAB-GFCCVEGCSA-N 0 0 399.541 4.434 50 30 GIEARN Cc1ccc(S(=O)(=O)Nc2c(Cl)c(Cl)nc(C#N)c2Cl)cc1 ZINC000001225510 211503622 /nfs/dbraw/zinc/50/36/22/211503622.db2.gz BDCOOVZMYRTZKW-UHFFFAOYSA-N 0 0 376.652 4.023 50 30 GIEARN N#Cc1cccc(NC(=O)COC(=O)/C(=C\c2cccs2)c2cccs2)c1 ZINC000096481486 211342939 /nfs/dbraw/zinc/34/29/39/211342939.db2.gz XTAMMOSUKYZFRV-BOPFTXTBSA-N 0 0 394.477 4.404 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(C)cc1 ZINC000097105058 211358460 /nfs/dbraw/zinc/35/84/60/211358460.db2.gz GJKCJWOZQABLBW-REWPJTCUSA-N 0 0 394.467 4.332 50 30 GIEARN CSc1ncc(C(=O)Nc2sc3c(c2C#N)CCC3)n1-c1ccc(F)cc1 ZINC000095947830 211285170 /nfs/dbraw/zinc/28/51/70/211285170.db2.gz CKSWCJVJRNRJAS-UHFFFAOYSA-N 0 0 398.488 4.407 50 30 GIEARN C[C@H](c1ccccn1)N(CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000095456008 211242191 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30 GIEARN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O ZINC000015011152 518842881 /nfs/dbraw/zinc/84/28/81/518842881.db2.gz CXYMJMZIRDEQBY-BOPFTXTBSA-N 0 0 383.429 4.225 50 30 GIEARN C=CCN1C(=O)[C@H](Cc2ccccc2Cl)S/C1=N/N=C/c1ccccc1 ZINC000033757632 518848019 /nfs/dbraw/zinc/84/80/19/518848019.db2.gz KAMZLFBKJXAXFK-NNPDONQDSA-N 0 0 383.904 4.403 50 30 GIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000037547189 518885956 /nfs/dbraw/zinc/88/59/56/518885956.db2.gz XQPVOEKDQSKKFG-UHFFFAOYSA-N 0 0 379.435 4.347 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1 ZINC000037557269 518901085 /nfs/dbraw/zinc/90/10/85/518901085.db2.gz UVMNPBIAZZZMBN-UHFFFAOYSA-N 0 0 392.430 4.110 50 30 GIEARN C=CCc1ccc(OCCCCCn2cnc3ccccc3c2=O)c(OC)c1 ZINC000058159035 519136211 /nfs/dbraw/zinc/13/62/11/519136211.db2.gz SKJCYQOSLKFOCK-UHFFFAOYSA-N 0 0 378.472 4.383 50 30 GIEARN C=CCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c1C ZINC000096489814 519168285 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CC(=O)Nc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000065567407 519737384 /nfs/dbraw/zinc/73/73/84/519737384.db2.gz SBZYVNCPSAMUQW-QHCPKHFHSA-N 0 0 399.450 4.219 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000012553143 519807631 /nfs/dbraw/zinc/80/76/31/519807631.db2.gz YNJWXDSEBFHACD-JDNHERCYSA-N 0 0 391.682 4.247 50 30 GIEARN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000021721986 519877271 /nfs/dbraw/zinc/87/72/71/519877271.db2.gz UJJOOUBUPZWULD-JOCHJYFZSA-N 0 0 395.528 4.255 50 30 GIEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=N)S1 ZINC000033354127 519970252 /nfs/dbraw/zinc/97/02/52/519970252.db2.gz NJDOMRZXSYUCAV-CTLFBJNRSA-N 0 0 398.488 4.395 50 30 GIEARN CCCCCCCCCCCCNC(=O)CSc1ncnc2[nH]cnc21 ZINC000097971314 520009486 /nfs/dbraw/zinc/00/94/86/520009486.db2.gz NBXOFQAAQAOFGN-UHFFFAOYSA-N 0 0 377.558 4.482 50 30 GIEARN CCCCCCCCNC(=O)c1cc(C(=O)c2cc(C)ccc2O)coc1=N ZINC000003350568 520034945 /nfs/dbraw/zinc/03/49/45/520034945.db2.gz NFDZHXQXSWHUFI-UHFFFAOYSA-N 0 0 384.476 4.094 50 30 GIEARN CCCCCCCOC(=O)c1ccc(OC(=O)c2cccc(C(=O)OC)n2)cc1 ZINC000097997887 520061509 /nfs/dbraw/zinc/06/15/09/520061509.db2.gz YRYCKJQEYKGNEW-UHFFFAOYSA-N 0 0 399.443 4.215 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(F)cc2)c1=O ZINC000097474812 520278611 /nfs/dbraw/zinc/27/86/11/520278611.db2.gz YEOUGDWNMFQKDA-YHYXMXQVSA-N 0 0 376.225 4.276 50 30 GIEARN CCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(CC)cc2)S1 ZINC000006593528 520471780 /nfs/dbraw/zinc/47/17/80/520471780.db2.gz FNTQFQUHTADVHO-KMUCBOENSA-N 0 0 395.528 4.202 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(C)c2O)C1=O ZINC000036257751 520533265 /nfs/dbraw/zinc/53/32/65/520533265.db2.gz OCZBIRDVXMGXCU-LFIBNONCSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cccc(F)c2O)C1=O ZINC000036258293 520537708 /nfs/dbraw/zinc/53/77/08/520537708.db2.gz DNTCOZWVXPWKIL-LFIBNONCSA-N 0 0 399.443 4.383 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(F)c1 ZINC000103098597 520558459 /nfs/dbraw/zinc/55/84/59/520558459.db2.gz VIGSHLNAPFLZSG-LFVOPCPISA-N 0 0 383.419 4.056 50 30 GIEARN CCCCNC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000012377720 520628445 /nfs/dbraw/zinc/62/84/45/520628445.db2.gz LZWJUSCKNNMNAA-NKWDDMGQSA-N 0 0 381.501 4.129 50 30 GIEARN CCOc1cc(/C=C2\C(C)=NN(c3ccccc3Cl)C2=O)ccc1OCC#N ZINC000033437327 520628843 /nfs/dbraw/zinc/62/88/43/520628843.db2.gz OFZCETYSZNRHSO-FOWTUZBSSA-N 0 0 395.846 4.447 50 30 GIEARN CCOc1ccc(-c2nc(N=NCc3ccc(OC)c(OC)c3)sc2C)cc1 ZINC000005475660 520803031 /nfs/dbraw/zinc/80/30/31/520803031.db2.gz FJNFUSHGYVVVLZ-LPYMAVHISA-N 0 0 397.500 4.402 50 30 GIEARN CCN(CC)c1ccc(NN=C(C(C)=O)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100288073 520912949 /nfs/dbraw/zinc/91/29/49/520912949.db2.gz DOTKOSYLZCNVGG-LYBHJNIJSA-N 0 0 386.883 4.182 50 30 GIEARN CCN(CC)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c(C)c1 ZINC000064838127 520913785 /nfs/dbraw/zinc/91/37/85/520913785.db2.gz CQSDMFGTMLJIGQ-UHFFFAOYSA-N 0 0 392.528 4.168 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC ZINC000004626479 521026206 /nfs/dbraw/zinc/02/62/06/521026206.db2.gz ZEVVRBSGIYFUAB-QRWLVFNGSA-N 0 0 389.492 4.205 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cc(OC)ccc1OC ZINC000004626480 521168058 /nfs/dbraw/zinc/16/80/58/521168058.db2.gz ZEVVRBSGIYFUAB-YWZLYKJASA-N 0 0 389.492 4.205 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@@H]1c1cccc(OC)c1 ZINC000001440878 521276644 /nfs/dbraw/zinc/27/66/44/521276644.db2.gz PQSYMEZHCDDXSL-DYESRHJHSA-N 0 0 383.419 4.066 50 30 GIEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(OC)c2OC(F)F)c1C ZINC000008321417 521375625 /nfs/dbraw/zinc/37/56/25/521375625.db2.gz WVKJUSDRDHGYQU-MDZDMXLPSA-N 0 0 393.386 4.314 50 30 GIEARN CCOC(=O)c1ccc(N=CC2=CC(=[NH+][N-]c3nonc3C)C=CC2=O)cc1 ZINC000004401882 521461857 /nfs/dbraw/zinc/46/18/57/521461857.db2.gz IAWNIUABKXKGNY-WZPZYHAESA-N 0 0 379.376 4.426 50 30 GIEARN CCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1ccc(OC)cc1 ZINC000097466965 521698545 /nfs/dbraw/zinc/69/85/45/521698545.db2.gz GYXVNZKQAMKVOK-GWSFVKJMSA-N 0 0 398.484 4.423 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 ZINC000002776298 521709593 /nfs/dbraw/zinc/70/95/93/521709593.db2.gz MIYNKWDKXBXMJY-IBGZPJMESA-N 0 0 389.492 4.090 50 30 GIEARN CCc1cccc2c1NC(=O)/C2=C1/S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000017154695 521797697 /nfs/dbraw/zinc/79/76/97/521797697.db2.gz BCJSMWNWALBGEB-JQIJEIRASA-N 0 0 383.860 4.116 50 30 GIEARN COC(=O)c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccc(C)cc3)o2)cc1 ZINC000004675849 521923925 /nfs/dbraw/zinc/92/39/25/521923925.db2.gz CZCHZUGMZITTJI-LPYMAVHISA-N 0 0 393.468 4.362 50 30 GIEARN COc1cc(/C=C/C(=O)N(Cc2ccco2)Cc2ccco2)ccc1OCC#N ZINC000030471873 521924759 /nfs/dbraw/zinc/92/47/59/521924759.db2.gz BZZSHWAQGRXKII-VQHVLOKHSA-N 0 0 392.411 4.026 50 30 GIEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 ZINC000101351671 523057256 /nfs/dbraw/zinc/05/72/56/523057256.db2.gz BXNFOBNRWXOKDB-BUUZQLDUSA-N 0 0 378.428 4.177 50 30 GIEARN COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000005073759 523365225 /nfs/dbraw/zinc/36/52/25/523365225.db2.gz OBPQWZNUPPSULP-WYMPLXKRSA-N 0 0 396.365 4.102 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)c(OC)c1 ZINC000020624389 523422485 /nfs/dbraw/zinc/42/24/85/523422485.db2.gz KHDVPNBTGXEIIJ-MTJSOVHGSA-N 0 0 395.455 4.012 50 30 GIEARN COc1ccc(Br)cc1/C=C\C(=O)c1ccc2c(c1)OCCO2 ZINC000033398646 523492722 /nfs/dbraw/zinc/49/27/22/523492722.db2.gz FDBHBPHYUPBXAL-DJWKRKHSSA-N 0 0 375.218 4.125 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000020606225 523550857 /nfs/dbraw/zinc/55/08/57/523550857.db2.gz MISIIQDPFZXAMH-HXUWFJFHSA-N 0 0 395.430 4.355 50 30 GIEARN CN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N/c1cccc(F)c1 ZINC000101601160 523724469 /nfs/dbraw/zinc/72/44/69/523724469.db2.gz BGUIYNYNPMXXBE-JOJWKMGHSA-N 0 0 391.855 4.069 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)COC(=O)CCC(=O)c1cccs1 ZINC000018103073 524033887 /nfs/dbraw/zinc/03/38/87/524033887.db2.gz SYYURDQLCVGQJD-MOSHPQCFSA-N 0 0 397.496 4.135 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nncn1-c1ccccc1 ZINC000004835159 524034283 /nfs/dbraw/zinc/03/42/83/524034283.db2.gz VNUILYDOIIWDCN-MOSHPQCFSA-N 0 0 390.512 4.240 50 30 GIEARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000019535738 524170224 /nfs/dbraw/zinc/17/02/24/524170224.db2.gz LZPFGFSGHZBJCD-FQEVSTJZSA-N 0 0 383.488 4.251 50 30 GIEARN Cc1ccc(CC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1C ZINC000035567989 524277585 /nfs/dbraw/zinc/27/75/85/524277585.db2.gz FNIXKRIBBWNSLW-HYARGMPZSA-N 0 0 377.484 4.270 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)o2)c1 ZINC000002625349 524409588 /nfs/dbraw/zinc/40/95/88/524409588.db2.gz URVUYQKGESYANA-UHFFFAOYSA-N 0 0 398.513 4.454 50 30 GIEARN COc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CCC2 ZINC000019536644 524743996 /nfs/dbraw/zinc/74/39/96/524743996.db2.gz SZRWSYWVOPRLOT-OAQYLSRUSA-N 0 0 381.472 4.149 50 30 GIEARN COc1ccc(OC)c(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000057525271 524841210 /nfs/dbraw/zinc/84/12/10/524841210.db2.gz PIMGNAUQYQQLGO-CYBMUJFWSA-N 0 0 378.350 4.044 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 ZINC000009329961 525229301 /nfs/dbraw/zinc/22/93/01/525229301.db2.gz QLPLQVODHUDVEW-KSFYIVLOSA-N 0 0 386.455 4.011 50 30 GIEARN COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c1OC ZINC000013777433 525768023 /nfs/dbraw/zinc/76/80/23/525768023.db2.gz SNDZSDARMREWTQ-WQRHYEAKSA-N 0 0 382.412 4.272 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102798474 525946000 /nfs/dbraw/zinc/94/60/00/525946000.db2.gz WCOJINXZTNTBJT-YDJIHCHBSA-N 0 0 391.398 4.349 50 30 GIEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000012520523 526002603 /nfs/dbraw/zinc/00/26/03/526002603.db2.gz YXZZKHVZTVGKDP-HUUCEWRRSA-N 0 0 396.491 4.447 50 30 GIEARN Cc1ccc2c(c1)C(=NNc1nc3ccccc3nc1-c1ccccc1)C(=O)N2 ZINC000058133905 526136553 /nfs/dbraw/zinc/13/65/53/526136553.db2.gz SOUWYPVOCQJJDJ-UHFFFAOYSA-N 0 0 379.423 4.374 50 30 GIEARN CC1N=NC(=S)N1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000036611096 526376472 /nfs/dbraw/zinc/37/64/72/526376472.db2.gz SWLCWHCBPBSHGJ-CNHKJKLMSA-N 0 0 383.260 4.236 50 30 GIEARN C=CCN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O ZINC000013002775 526407733 /nfs/dbraw/zinc/40/77/33/526407733.db2.gz NCOUOLBCPNYWFF-GDNBJRDFSA-N 0 0 383.385 4.004 50 30 GIEARN N#CCc1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000032748087 526481695 /nfs/dbraw/zinc/48/16/95/526481695.db2.gz ATPAYAXOVFKOCQ-UHFFFAOYSA-N 0 0 388.393 4.022 50 30 GIEARN Cc1nc(-c2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)n[nH]1 ZINC000095431264 526593461 /nfs/dbraw/zinc/59/34/61/526593461.db2.gz MYOYUAMGISMRRV-UHFFFAOYSA-N 0 0 383.459 4.169 50 30 GIEARN Cc1nc(C#N)c(N=NCc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)o1 ZINC000032697546 526632745 /nfs/dbraw/zinc/63/27/45/526632745.db2.gz VIZGBCHDAJVMHI-CFRMEGHHSA-N 0 0 382.427 4.462 50 30 GIEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2 ZINC000033321076 526676279 /nfs/dbraw/zinc/67/62/79/526676279.db2.gz MSSJPODBZQWZQP-BTYIYWSLSA-N 0 0 388.423 4.352 50 30 GIEARN N=C(NOC(=O)c1cccs1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000004344794 526811234 /nfs/dbraw/zinc/81/12/34/526811234.db2.gz FLNUGNHASGFTDK-UHFFFAOYSA-N 0 0 386.860 4.458 50 30 GIEARN C=CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000012343911 526833573 /nfs/dbraw/zinc/83/35/73/526833573.db2.gz UAMGWWBLURYAGN-FOWTUZBSSA-N 0 0 399.244 4.111 50 30 GIEARN O=C1C=Cc2ccccc2/C1=N\Oc1ccc2noc3c2c1C(=O)c1ccccc1-3 ZINC000100745079 526960493 /nfs/dbraw/zinc/96/04/93/526960493.db2.gz ZFJLQEXYZCAOLT-XTCLZLMSSA-N 0 0 392.370 4.418 50 30 GIEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1 ZINC000017081181 527023150 /nfs/dbraw/zinc/02/31/50/527023150.db2.gz KHHUOSGSCCMGJA-CJNGLKHVSA-N 0 0 396.830 4.253 50 30 GIEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000017081178 527032766 /nfs/dbraw/zinc/03/27/66/527032766.db2.gz KHHUOSGSCCMGJA-XJKSGUPXSA-N 0 0 396.830 4.253 50 30 GIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)c(Cl)c1 ZINC000013571662 527137360 /nfs/dbraw/zinc/13/73/60/527137360.db2.gz PMVULKVDDVUZJA-UHFFFAOYSA-N 0 0 385.851 4.319 50 30 GIEARN NC1=C(c2nc(-c3ccccc3Cl)cs2)C(=O)CN1CCc1ccccc1 ZINC000034769972 527138570 /nfs/dbraw/zinc/13/85/70/527138570.db2.gz CYNUJKVWUPVPTJ-UHFFFAOYSA-N 0 0 395.915 4.218 50 30 GIEARN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000095671145 527260487 /nfs/dbraw/zinc/26/04/87/527260487.db2.gz UPUKINIZGPNNNQ-UHFFFAOYSA-N 0 0 392.223 4.169 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccc2)c1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000024830556 527326396 /nfs/dbraw/zinc/32/63/96/527326396.db2.gz QYMQRWBXQGPKDW-NRFANRHFSA-N 0 0 398.462 4.170 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(F)cc1 ZINC000002432441 527337020 /nfs/dbraw/zinc/33/70/20/527337020.db2.gz ZBRIOXNTLZOXTL-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1C1CCCCC1 ZINC000009457285 527343987 /nfs/dbraw/zinc/34/39/87/527343987.db2.gz MHKYTADQCZPLLP-HNNXBMFYSA-N 0 0 376.570 4.441 50 30 GIEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccc(F)cc3)o2)c1 ZINC000001041827 527381207 /nfs/dbraw/zinc/38/12/07/527381207.db2.gz GYCGSWKPRFUJGN-RGVLZGJSSA-N 0 0 384.392 4.314 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC000033467029 527537050 /nfs/dbraw/zinc/53/70/50/527537050.db2.gz DPLAKDYXNCVBQM-SEYXRHQNSA-N 0 0 387.483 4.222 50 30 GIEARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)c1ccc(N2CCOCC2)cc1 ZINC000096133892 527653290 /nfs/dbraw/zinc/65/32/90/527653290.db2.gz XHJMRYTWYKFWLJ-XFSBKJJWSA-N 0 0 381.859 4.392 50 30 GIEARN CCOC(=O)COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1OC ZINC000036623619 528841257 /nfs/dbraw/zinc/84/12/57/528841257.db2.gz ZUSCAWAXTIEFON-KSEXSDGBSA-N 0 0 396.365 4.102 50 30 GIEARN COc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccccn2)cc1 ZINC000046125988 570209978 /nfs/dbraw/zinc/20/99/78/570209978.db2.gz LZPDRQYATHQLKT-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1)NCc1ccccn1 ZINC000046125648 570210034 /nfs/dbraw/zinc/21/00/34/570210034.db2.gz LQEBWKFTAKCXJR-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN COc1ccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc1Cl ZINC000046128000 570210507 /nfs/dbraw/zinc/21/05/07/570210507.db2.gz ZPIFRAWCKRFBSD-UHFFFAOYSA-N 0 0 394.862 4.142 50 30 GIEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(F)cc2)cc1C ZINC000046128252 570210547 /nfs/dbraw/zinc/21/05/47/570210547.db2.gz XNEDWURRFZGTSB-UHFFFAOYSA-N 0 0 376.435 4.236 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(CC)cc1)NC[C@@H]1CCCO1 ZINC000046129129 570211089 /nfs/dbraw/zinc/21/10/89/570211089.db2.gz NHCVFCOHLHYWCR-IBGZPJMESA-N 0 0 395.503 4.025 50 30 GIEARN Cc1ccc(C)c(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@H]2CCCO2)c1 ZINC000046130136 570211320 /nfs/dbraw/zinc/21/13/20/570211320.db2.gz FEBBNPPFNRLEFM-HXUWFJFHSA-N 0 0 379.504 4.297 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)c(Cl)c2)c1 ZINC000046131726 570211902 /nfs/dbraw/zinc/21/19/02/570211902.db2.gz RRENGQPQZGAFQL-MRXNPFEDSA-N 0 0 389.858 4.164 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C(C)C)c2)c1 ZINC000046133211 570213361 /nfs/dbraw/zinc/21/33/61/570213361.db2.gz WMUIZMQWDQBCBY-OAQYLSRUSA-N 0 0 379.504 4.495 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(Cl)cc2C)cc1 ZINC000046132886 570213453 /nfs/dbraw/zinc/21/34/53/570213453.db2.gz ZZCUIFZFICEXDP-SFHVURJKSA-N 0 0 385.895 4.334 50 30 GIEARN N#Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@H]3CC=NN23)cc1Cl ZINC000006083477 570239080 /nfs/dbraw/zinc/23/90/80/570239080.db2.gz MWDDLDDBPQTLTO-QGZVFWFLSA-N 0 0 395.875 4.317 50 30 GIEARN C=CCN1c2ccccc2[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2C)C1=O ZINC000016362886 570249387 /nfs/dbraw/zinc/24/93/87/570249387.db2.gz BEXWVHBZQAZDEU-VWLOTQADSA-N 0 0 395.462 4.453 50 30 GIEARN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1nccs1 ZINC000012250962 570278323 /nfs/dbraw/zinc/27/83/23/570278323.db2.gz LYWPLIQVFDYBHF-UHFFFAOYSA-N 0 0 386.889 4.461 50 30 GIEARN CC(C)(C)C(=O)[C@@H]1[C@H](c2cccnc2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 ZINC000016037294 570313173 /nfs/dbraw/zinc/31/31/73/570313173.db2.gz MBVBYUABXBKUHZ-ACRUOGEOSA-N 0 0 382.467 4.098 50 30 GIEARN N#Cc1cccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000010844185 570318661 /nfs/dbraw/zinc/31/86/61/570318661.db2.gz JEYHJWLRMSWAAS-UHFFFAOYSA-N 0 0 388.393 4.228 50 30 GIEARN COc1cc(C(=O)N(CCC#N)[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1OC ZINC000003179736 570331686 /nfs/dbraw/zinc/33/16/86/570331686.db2.gz PRDSDQOJTCTJST-NVXWUHKLSA-N 0 0 388.508 4.283 50 30 GIEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(Cl)c(Cl)c3)C2)c1 ZINC000575613130 570338033 /nfs/dbraw/zinc/33/80/33/570338033.db2.gz PFABEICLMOBEEY-AWEZNQCLSA-N 0 0 391.258 4.335 50 30 GIEARN COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(N(C(C)=O)C(C)=O)c21 ZINC000035326875 570341441 /nfs/dbraw/zinc/34/14/41/570341441.db2.gz MPEDUTSMJOXBBA-UHFFFAOYSA-N 0 0 393.468 4.189 50 30 GIEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cc3ccccc3o2)cc1 ZINC000003372252 570343383 /nfs/dbraw/zinc/34/33/83/570343383.db2.gz NGCWNEMAMBVVRY-UHFFFAOYSA-N 0 0 386.411 4.471 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Cl)c1 ZINC000023114545 570344590 /nfs/dbraw/zinc/34/45/90/570344590.db2.gz YMEOPDBXWUQALJ-GOSISDBHSA-N 0 0 379.843 4.472 50 30 GIEARN N#Cc1ccccc1S(=O)(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024924084 570346622 /nfs/dbraw/zinc/34/66/22/570346622.db2.gz FGUPZWGUNNGKSH-INIZCTEOSA-N 0 0 383.498 4.084 50 30 GIEARN CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(CC)NC2=C1C(=O)CCC2 ZINC000004060209 570356000 /nfs/dbraw/zinc/35/60/00/570356000.db2.gz HKOAAZAGUSECAR-HXUWFJFHSA-N 0 0 383.488 4.397 50 30 GIEARN C(=[NH+][N-]c1ccccc1Oc1ccccc1)c1cnc(N2CCOCC2)s1 ZINC000004084975 570356879 /nfs/dbraw/zinc/35/68/79/570356879.db2.gz XTIMUKJTFHEPMN-PXLXIMEGSA-N 0 0 380.473 4.218 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918623 570365790 /nfs/dbraw/zinc/36/57/90/570365790.db2.gz RPXJXVSRNFJRSB-WIYYLYMNSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(C)cc1 ZINC000004919711 570366038 /nfs/dbraw/zinc/36/60/38/570366038.db2.gz VLLQKPYFNZJKMZ-CVDCTZTESA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cccc(OC)c1OC ZINC000004918911 570366043 /nfs/dbraw/zinc/36/60/43/570366043.db2.gz HDZYEWCYSPHZKN-KXBFYZLASA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(OC)cc1 ZINC000004919137 570366102 /nfs/dbraw/zinc/36/61/02/570366102.db2.gz OZYVBXCNNLPACD-IRLDBZIGSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004918731 570366151 /nfs/dbraw/zinc/36/61/51/570366151.db2.gz DKBGDSOWCINPGB-FOIQADDNSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004920151 570366290 /nfs/dbraw/zinc/36/62/90/570366290.db2.gz ZJAXURBEKXUMHH-OFNKIYASSA-N 0 0 394.467 4.332 50 30 GIEARN CCOc1ccc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)cc1 ZINC000008321623 570374470 /nfs/dbraw/zinc/37/44/70/570374470.db2.gz WBXMBCHVBAMOFU-RUDMXATFSA-N 0 0 377.234 4.458 50 30 GIEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 ZINC000004534883 570382292 /nfs/dbraw/zinc/38/22/92/570382292.db2.gz VHYKSHVXILDWEP-XCVCLJGOSA-N 0 0 379.153 4.096 50 30 GIEARN C[C@@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NC(=O)NC1CCCCC1 ZINC000006409171 570406169 /nfs/dbraw/zinc/40/61/69/570406169.db2.gz DPSSRSOWZWQRMY-MRXNPFEDSA-N 0 0 391.471 4.151 50 30 GIEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000004814165 570407655 /nfs/dbraw/zinc/40/76/55/570407655.db2.gz LZPHHTUPSJGXLM-RBZFPXEDSA-N 0 0 394.837 4.486 50 30 GIEARN CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000040139556 570409879 /nfs/dbraw/zinc/40/98/79/570409879.db2.gz XYNOCOFCUQGNRO-XVNBXDOJSA-N 0 0 394.254 4.023 50 30 GIEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000035681066 570412699 /nfs/dbraw/zinc/41/26/99/570412699.db2.gz UHDVCAHKSGNPRG-GDNBJRDFSA-N 0 0 396.512 4.010 50 30 GIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C)cc2)c1 ZINC000004916343 570418115 /nfs/dbraw/zinc/41/81/15/570418115.db2.gz FDUMTOBNHJXEAS-APWZRJJASA-N 0 0 391.467 4.017 50 30 GIEARN Cc1cc(Br)cc2c1N(C)C(=O)C2=NNc1cccc2cccnc21 ZINC000004963289 570420093 /nfs/dbraw/zinc/42/00/93/570420093.db2.gz XRNPNZFXPQWYEX-QJOMJCCJSA-N 0 0 395.260 4.098 50 30 GIEARN CC(=O)N(c1ccc(C)cc1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000004989864 570422181 /nfs/dbraw/zinc/42/21/81/570422181.db2.gz OOKJBDOEKQXJAG-UHFFFAOYSA-N 0 0 388.467 4.125 50 30 GIEARN Clc1ccc(N2CCN(/N=C\c3ccc(Br)cc3)CC2)cc1 ZINC000005009052 570423872 /nfs/dbraw/zinc/42/38/72/570423872.db2.gz KIGBNWZCSQCRCT-MOSHPQCFSA-N 0 0 378.701 4.259 50 30 GIEARN COc1ccc(Br)cc1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000244734546 570433235 /nfs/dbraw/zinc/43/32/35/570433235.db2.gz NHSPBIKJFCKUIC-UHFFFAOYSA-N 0 0 395.326 4.268 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000005562345 570446263 /nfs/dbraw/zinc/44/62/63/570446263.db2.gz KNNOOSLGQLFSIL-KRWDZBQOSA-N 0 0 398.256 4.213 50 30 GIEARN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O[C@H](CC)C1=O ZINC000035908963 570476890 /nfs/dbraw/zinc/47/68/90/570476890.db2.gz YBLGSXIBIRVUKQ-FOIQADDNSA-N 0 0 391.471 4.109 50 30 GIEARN CC(=O)c1cccc(N=Cc2ccc(Sc3nnnn3-c3ccccc3)o2)c1 ZINC000252619913 570478466 /nfs/dbraw/zinc/47/84/66/570478466.db2.gz LUFRBIQJCJGNKP-UHFFFAOYSA-N 0 0 389.440 4.360 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1SCC(=O)OCc1ccc(C#N)cc1 ZINC000006590184 570487005 /nfs/dbraw/zinc/48/70/05/570487005.db2.gz JJFXVGYTQWTXND-UHFFFAOYSA-N 0 0 377.469 4.196 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000006720294 570489815 /nfs/dbraw/zinc/48/98/15/570489815.db2.gz AVAUGCLUXADDLQ-FQEVSTJZSA-N 0 0 393.874 4.342 50 30 GIEARN O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Br ZINC000005174135 570492937 /nfs/dbraw/zinc/49/29/37/570492937.db2.gz CWDNGDYQAYQJGL-LZYBPNLTSA-N 0 0 377.223 4.413 50 30 GIEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 ZINC000006819481 570495488 /nfs/dbraw/zinc/49/54/88/570495488.db2.gz XKSUDNDLYJLNQU-WMLDXEAASA-N 0 0 381.859 4.353 50 30 GIEARN COCCOC(=O)/C(=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C)=O ZINC000003106622 570503640 /nfs/dbraw/zinc/50/36/40/570503640.db2.gz KUIZCHHFCHUXFV-WJDWOHSUSA-N 0 0 376.493 4.149 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000006621486 570506089 /nfs/dbraw/zinc/50/60/89/570506089.db2.gz AXKJOYICQPZSAJ-IBGZPJMESA-N 0 0 396.874 4.170 50 30 GIEARN N#Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3CSCCS3)cc2)cc1 ZINC000079059504 570510602 /nfs/dbraw/zinc/51/06/02/570510602.db2.gz UVCKWHRRRRQWRQ-GOSISDBHSA-N 0 0 385.514 4.321 50 30 GIEARN Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)o2)cc1 ZINC000005210616 570511782 /nfs/dbraw/zinc/51/17/82/570511782.db2.gz FCRGKMSEFNJSPA-UHFFFAOYSA-N 0 0 378.457 4.084 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(F)c1 ZINC000009013384 570546346 /nfs/dbraw/zinc/54/63/46/570546346.db2.gz YLSIJWSBEYKASE-IBGZPJMESA-N 0 0 383.419 4.213 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(C)c3)C2)cc1 ZINC000005324072 570553607 /nfs/dbraw/zinc/55/36/07/570553607.db2.gz PDNHZLVOIXRKLL-HTAPYJJXSA-N 0 0 386.455 4.011 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4ccccc4C)nn32)cc1 ZINC000006732458 570557364 /nfs/dbraw/zinc/55/73/64/570557364.db2.gz MQAHDYZQDLRFOP-OAQYLSRUSA-N 0 0 386.455 4.284 50 30 GIEARN CC(C)C(=O)N1c2ncccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccnc1 ZINC000009482796 570559002 /nfs/dbraw/zinc/55/90/02/570559002.db2.gz LNDLRKUKCKCTRB-HXUWFJFHSA-N 0 0 390.487 4.276 50 30 GIEARN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c3nc(-c4ccccc4)nn3cnc1O2 ZINC000005349934 570563015 /nfs/dbraw/zinc/56/30/15/570563015.db2.gz WZIMQTVFTLWXOY-LJQANCHMSA-N 0 0 394.434 4.323 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1cccs1 ZINC000005408212 570585749 /nfs/dbraw/zinc/58/57/49/570585749.db2.gz FSUTWRVEACIHOV-SFHVURJKSA-N 0 0 391.496 4.428 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC ZINC000006783123 570590070 /nfs/dbraw/zinc/59/00/70/570590070.db2.gz IXQJZPPVVZMKSR-HXUWFJFHSA-N 0 0 395.455 4.082 50 30 GIEARN O=C(Nc1nnc(/N=C/c2ccc(Br)s2)s1)c1ccccc1 ZINC000001509831 570595985 /nfs/dbraw/zinc/59/59/85/570595985.db2.gz BRFJKURPNLPFLT-LZYBPNLTSA-N 0 0 393.291 4.365 50 30 GIEARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)ccc1C#N ZINC000033011252 570624001 /nfs/dbraw/zinc/62/40/01/570624001.db2.gz AXCHGXVZHYVCLT-UHFFFAOYSA-N 0 0 375.453 4.360 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccco2)sc1C ZINC000005544662 570630286 /nfs/dbraw/zinc/63/02/86/570630286.db2.gz IRTIIKODPOOIEY-MRXNPFEDSA-N 0 0 380.425 4.136 50 30 GIEARN CCOc1ccc(C=CC(=O)C2=CN(CC)C(=O)N[C@@H]2c2ccccc2)cc1 ZINC000012389355 570639147 /nfs/dbraw/zinc/63/91/47/570639147.db2.gz NQDMXKOFTSLCEK-OWSFEGEDSA-N 0 0 376.456 4.338 50 30 GIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 ZINC000012406414 570653581 /nfs/dbraw/zinc/65/35/81/570653581.db2.gz BXNFOBNRWXOKDB-RMGGNSTNSA-N 0 0 378.428 4.177 50 30 GIEARN CCOC(=O)CSc1sc(C(=O)OCC)c(-c2cccs2)c1C#N ZINC000004349755 570676232 /nfs/dbraw/zinc/67/62/32/570676232.db2.gz VDDNCXIJGOKYOZ-UHFFFAOYSA-N 0 0 381.500 4.180 50 30 GIEARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)s2)cc1 ZINC000065085349 570689167 /nfs/dbraw/zinc/68/91/67/570689167.db2.gz UMHDRBUTXDDCOC-UHFFFAOYSA-N 0 0 382.466 4.013 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccoc1C ZINC000006912261 570699639 /nfs/dbraw/zinc/69/96/39/570699639.db2.gz IHXYOUDNUSPNOH-UHFFFAOYSA-N 0 0 382.489 4.326 50 30 GIEARN O=C1Nc2ccccc2/C1=C1/S/C(=N\c2cc(Cl)cc(Cl)c2)NC1=O ZINC000006927933 570708510 /nfs/dbraw/zinc/70/85/10/570708510.db2.gz SMJGVSLRILPJMI-YPKPFQOOSA-N 0 0 390.251 4.207 50 30 GIEARN 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CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cccs2)C1=O ZINC000004688349 570834401 /nfs/dbraw/zinc/83/44/01/570834401.db2.gz YDKQHNOKQLJOLW-RVDMUPIBSA-N 0 0 387.482 4.300 50 30 GIEARN COc1cccc(NC(=O)CSc2nc(-c3cccs3)ccc2C#N)c1 ZINC000004550863 570866314 /nfs/dbraw/zinc/86/63/14/570866314.db2.gz FMPHJGWYPWHNHZ-UHFFFAOYSA-N 0 0 381.482 4.421 50 30 GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc(-c2ccccc2)ns1 ZINC000042090604 570885529 /nfs/dbraw/zinc/88/55/29/570885529.db2.gz MAPYATUMZWHMIG-UHFFFAOYSA-N 0 0 375.413 4.021 50 30 GIEARN Cc1cccc(Cc2c(C)nc(SCc3ccc(C#N)cc3)n(C)c2=O)c1 ZINC000004572198 570899600 /nfs/dbraw/zinc/89/96/00/570899600.db2.gz QUTPAHHVCYAAKK-UHFFFAOYSA-N 0 0 375.497 4.152 50 30 GIEARN Cc1csc2nc(CNc3cccc(C#Cc4cccs4)c3)cc(=O)n12 ZINC000040061457 570907961 /nfs/dbraw/zinc/90/79/61/570907961.db2.gz GQWNWIYLPFKBLI-UHFFFAOYSA-N 0 0 377.494 4.138 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1 ZINC000016737275 570932315 /nfs/dbraw/zinc/93/23/15/570932315.db2.gz 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C=CCc1ccc(Oc2ccc3nnc(-c4ccccc4OC)n3n2)c(OC)c1 ZINC000012390688 818156659 /nfs/dbraw/zinc/15/66/59/818156659.db2.gz AASDKCCWEMQTOQ-UHFFFAOYSA-N 0 0 388.427 4.329 50 30 GIEARN N#Cc1c(NC(=O)c2cccs2)sc2c1CCN(Cc1ccccc1)C2 ZINC000019942271 818608437 /nfs/dbraw/zinc/60/84/37/818608437.db2.gz CMFJOMYSSVWDEP-UHFFFAOYSA-N 0 0 379.510 4.492 50 30 GIEARN C#CCCC(=O)N1CCC(n2c3cc(F)ccc3nc2-c2ccccc2)CC1 ZINC000023311076 818922674 /nfs/dbraw/zinc/92/26/74/818922674.db2.gz PPGOXYLFQKIAJJ-UHFFFAOYSA-N 0 0 375.447 4.419 50 30 GIEARN Cc1ccc([C@@H](CNc2oc(-c3ccccc3)nc2C#N)N2CCOCC2)cc1 ZINC000027793516 820286635 /nfs/dbraw/zinc/28/66/35/820286635.db2.gz DNTVFTBZUAFFNU-OAQYLSRUSA-N 0 0 388.471 4.007 50 30 GIEARN O=C1OC(c2ccccc2)=C(c2nc3ccccc3nc2-c2ccccc2)C1=O ZINC000032285627 820907766 /nfs/dbraw/zinc/90/77/66/820907766.db2.gz RPUUHJNMJWXIBO-UHFFFAOYSA-N 0 0 378.387 4.291 50 30 GIEARN C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000040087709 821134130 /nfs/dbraw/zinc/13/41/30/821134130.db2.gz HCZAWBLDXRQABS-UHFFFAOYSA-N 0 0 381.819 4.163 50 30 GIEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 ZINC000040110661 821139495 /nfs/dbraw/zinc/13/94/95/821139495.db2.gz PSMQDHADIIWXCU-UHFFFAOYSA-N 0 0 398.422 4.368 50 30 GIEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000055728610 823033482 /nfs/dbraw/zinc/03/34/82/823033482.db2.gz QDRURQWBJHICIA-QGZVFWFLSA-N 0 0 399.450 4.241 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000012749653 230880890 /nfs/dbraw/zinc/88/08/90/230880890.db2.gz YTHRZLLSYFNCAK-UHFFFAOYSA-N 0 0 394.450 4.062 50 30 GIEARN CCc1cc(C)cc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)c1 ZINC000004508494 529526314 /nfs/dbraw/zinc/52/63/14/529526314.db2.gz NOTNFEJLZRNPAD-WYMPLXKRSA-N 0 0 384.867 4.142 50 30 GIEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@@H](c3ccc(O)cc3)C12 ZINC000018219443 210218876 /nfs/dbraw/zinc/21/88/76/210218876.db2.gz BJXAUTYNWKEAGR-VLIAUNLRSA-N 0 0 392.846 4.053 50 30 GIEARN CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000018254819 210217865 /nfs/dbraw/zinc/21/78/65/210217865.db2.gz CNNLXBQQCYJTJD-AUWJEWJLSA-N 0 0 381.240 4.360 50 30 GIEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000018196224 210217166 /nfs/dbraw/zinc/21/71/66/210217166.db2.gz UEWAUZKCVZNTKH-KZULUSFZSA-N 0 0 382.876 4.409 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(OC(F)(F)F)cc1 ZINC000018200265 210215906 /nfs/dbraw/zinc/21/59/06/210215906.db2.gz MWHRHSFNMAGJLV-CYBMUJFWSA-N 0 0 393.365 4.215 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000018154969 210215454 /nfs/dbraw/zinc/21/54/54/210215454.db2.gz KGGUPAWLZYQVTH-FQEVSTJZSA-N 0 0 389.382 4.314 50 30 GIEARN CCn1c(C)cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c1C ZINC000017887250 210212165 /nfs/dbraw/zinc/21/21/65/210212165.db2.gz GTMMIAHBKSZBQU-UHFFFAOYSA-N 0 0 399.516 4.122 50 30 GIEARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000016311733 210188264 /nfs/dbraw/zinc/18/82/64/210188264.db2.gz FOMRPGDIFWLCAL-UHFFFAOYSA-N 0 0 385.402 4.300 50 30 GIEARN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(C)n[nH]c1C ZINC000015986033 210181283 /nfs/dbraw/zinc/18/12/83/210181283.db2.gz ZMQKOKXHQLSXKB-FRKBGCJLSA-N 0 0 397.529 4.187 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015987918 210180732 /nfs/dbraw/zinc/18/07/32/210180732.db2.gz FXYVQEBSLLXIRR-JLPGSUDCSA-N 0 0 393.922 4.299 50 30 GIEARN N#Cc1c(COC(=O)c2ccc(COc3ccc(F)cc3)o2)cn2ccccc12 ZINC000014852416 210129647 /nfs/dbraw/zinc/12/96/47/210129647.db2.gz GJRUPGFVEYSHLE-UHFFFAOYSA-N 0 0 390.370 4.479 50 30 GIEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Cl)/C(=N/O)CCC2 ZINC000013941942 210095635 /nfs/dbraw/zinc/09/56/35/210095635.db2.gz UAMVBTRCGVPUDI-FYJGNVAPSA-N 0 0 392.864 4.345 50 30 GIEARN N#Cc1c(NC(=O)CNc2ccc(Cl)c(C#N)c2)sc2c1CCCCC2 ZINC000012947740 210036603 /nfs/dbraw/zinc/03/66/03/210036603.db2.gz SOHVATHFGPTUPB-UHFFFAOYSA-N 0 0 384.892 4.464 50 30 GIEARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1C ZINC000012850882 210018765 /nfs/dbraw/zinc/01/87/65/210018765.db2.gz FCFWUYYLNZABNB-UHFFFAOYSA-N 0 0 391.500 4.035 50 30 GIEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(C3CC3)o2)c1C#N ZINC000012812340 210012400 /nfs/dbraw/zinc/01/24/00/210012400.db2.gz FFCIGBWKHJVXCI-UHFFFAOYSA-N 0 0 399.520 4.473 50 30 GIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(O)c(OC)c3)c12 ZINC000009672436 209841737 /nfs/dbraw/zinc/84/17/37/209841737.db2.gz WNXHDVYJKZVROH-ZRDIBKRKSA-N 0 0 387.439 4.394 50 30 GIEARN O=C1C[C@H](c2ccc3c(c2)OCO3)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1 ZINC000004986915 209554184 /nfs/dbraw/zinc/55/41/84/209554184.db2.gz CJTBJENOFPITGG-DZGCQCFKSA-N 0 0 395.842 4.073 50 30 GIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000004915450 209543943 /nfs/dbraw/zinc/54/39/43/209543943.db2.gz IOHJMDAHANSTHT-APWZRJJASA-N 0 0 379.431 4.229 50 30 GIEARN COC(=O)c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(C)C2=O)cc1 ZINC000004673512 209508928 /nfs/dbraw/zinc/50/89/28/209508928.db2.gz NXVIAMVIUDIDRE-RTPPHFGYSA-N 0 0 380.469 4.324 50 30 GIEARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C#N)cc1 ZINC000003411164 209433342 /nfs/dbraw/zinc/43/33/42/209433342.db2.gz GBICFYDGHBYSSP-UHFFFAOYSA-N 0 0 380.835 4.314 50 30 GIEARN Clc1ccccc1COc1ccc(Br)cc1/C=N/n1cnnc1 ZINC000002970336 209403563 /nfs/dbraw/zinc/40/35/63/209403563.db2.gz FHIKDTMFQUJLKT-ODCIPOBUSA-N 0 0 391.656 4.155 50 30 GIEARN Cc1cc(C)c(C#N)c(SCCC(=O)Nc2nc(-c3ccccc3)ns2)n1 ZINC000002890673 209395815 /nfs/dbraw/zinc/39/58/15/209395815.db2.gz HYXOGSZDDCAHHJ-UHFFFAOYSA-N 0 0 395.513 4.210 50 30 GIEARN CCNC(=S)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc21 ZINC000002531323 209368671 /nfs/dbraw/zinc/36/86/71/209368671.db2.gz BZTYGHWVDDHIHC-ZVHZXABRSA-N 0 0 391.496 4.185 50 30 GIEARN CC(C)(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCC#N)C2=O)cc1 ZINC000002478953 209366476 /nfs/dbraw/zinc/36/64/76/209366476.db2.gz XSKJYWPKWQXGJV-DEOSSOPVSA-N 0 0 390.483 4.095 50 30 GIEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000002631716 209373185 /nfs/dbraw/zinc/37/31/85/209373185.db2.gz ZHSZMNPWEWYPBE-UHFFFAOYSA-N 0 0 375.409 4.445 50 30 GIEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c1 ZINC000002631153 209372931 /nfs/dbraw/zinc/37/29/31/209372931.db2.gz KTOCYMQXHYTQJZ-UHFFFAOYSA-N 0 0 397.390 4.162 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2C)C1=O ZINC000002372839 209360275 /nfs/dbraw/zinc/36/02/75/209360275.db2.gz BLRRPGWQQPUFRP-MJHJUBQXSA-N 0 0 394.544 4.305 50 30 GIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000002355966 209358958 /nfs/dbraw/zinc/35/89/58/209358958.db2.gz QSGCVHRZRGYWON-DJKKODMXSA-N 0 0 379.272 4.431 50 30 GIEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000002341836 209357068 /nfs/dbraw/zinc/35/70/68/209357068.db2.gz HMJRARSIBSVSPK-GRKKMJAJSA-N 0 0 385.836 4.343 50 30 GIEARN N#C[C@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002307828 209356015 /nfs/dbraw/zinc/35/60/15/209356015.db2.gz CHOPZNKRDJRKMB-SFHVURJKSA-N 0 0 391.519 4.066 50 30 GIEARN CCOc1ccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1 ZINC000002268701 209354030 /nfs/dbraw/zinc/35/40/30/209354030.db2.gz IVCPKGJEDMRSKA-UHFFFAOYSA-N 0 0 389.459 4.022 50 30 GIEARN CCCOc1ccc(Br)cc1/C=N/N=C1/C(=O)Nc2ccccc21 ZINC000002080835 209346555 /nfs/dbraw/zinc/34/65/55/209346555.db2.gz LEAHGVGTTLLDPH-RGVLZGJSSA-N 0 0 386.249 4.013 50 30 GIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000002069332 209344563 /nfs/dbraw/zinc/34/45/63/209344563.db2.gz OJYNYUADRROHAL-GOSISDBHSA-N 0 0 391.389 4.403 50 30 GIEARN S=C1N=NC(c2cccnc2)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000001475323 209330671 /nfs/dbraw/zinc/33/06/71/209330671.db2.gz UQFLMXHMWRDGEO-YDZHTSKRSA-N 0 0 387.468 4.090 50 30 GIEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000001167255 209309954 /nfs/dbraw/zinc/30/99/54/209309954.db2.gz PPEALPPPINMQNJ-RPPGKUMJSA-N 0 0 389.434 4.286 50 30 GIEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000001155856 209307918 /nfs/dbraw/zinc/30/79/18/209307918.db2.gz ASNATXTYGJKODD-HYARGMPZSA-N 0 0 382.485 4.155 50 30 GIEARN O=c1c2c3c(sc2ncn1/N=C\c1ccc(-c2ccccc2)o1)CCCC3 ZINC000001155235 209307699 /nfs/dbraw/zinc/30/76/99/209307699.db2.gz XCXCDCSEXGQYFN-FMCGGJTJSA-N 0 0 375.453 4.479 50 30 GIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4c(=O)o3)sc2C1 ZINC000001095826 209299187 /nfs/dbraw/zinc/29/91/87/209299187.db2.gz YLJCVGDEEVRVMM-LBPRGKRZSA-N 0 0 378.453 4.493 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccn1 ZINC000001082069 209298559 /nfs/dbraw/zinc/29/85/59/209298559.db2.gz GYISVRBJGCQSTL-UZUQRXQVSA-N 0 0 388.467 4.006 50 30 GIEARN CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3O)o2)cc1 ZINC000001012035 209289389 /nfs/dbraw/zinc/28/93/89/209289389.db2.gz JNRJHSSQKROMAM-IBGZPJMESA-N 0 0 378.384 4.079 50 30 aggregator GIEARN N#Cc1cccc(Oc2ccc(C(=O)OCC(=O)c3ccccc3)cc2)c1C#N ZINC000000991248 209286623 /nfs/dbraw/zinc/28/66/23/209286623.db2.gz FRWSPERRESJTFM-UHFFFAOYSA-N 0 0 382.375 4.262 50 30 GIEARN C[C@@H]1C[C@@H](C)CN(c2oc(COc3ccc(Br)cc3)nc2C#N)C1 ZINC000000934566 209280447 /nfs/dbraw/zinc/28/04/47/209280447.db2.gz LFIHLRMKDMQVNZ-CHWSQXEVSA-N 0 0 390.281 4.370 50 30 GIEARN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(Br)c1 ZINC000000715153 209261525 /nfs/dbraw/zinc/26/15/25/209261525.db2.gz IVVRGGAPGVLNBU-UHFFFAOYSA-N 0 0 388.228 4.243 50 30 GIEARN COc1cc(-c2nc3ccccn3c2/N=C/c2cccc([N+](=O)[O-])c2)ccc1O ZINC000000675972 209258302 /nfs/dbraw/zinc/25/83/02/209258302.db2.gz WJQPWZWXZBBHGW-LPYMAVHISA-N 0 0 388.383 4.374 50 30 GIEARN CSc1nc(Oc2cc(C)cc(C(C)C)c2)cc(-n2nc(C)c(C#N)c2N)n1 ZINC000000632488 209253125 /nfs/dbraw/zinc/25/31/25/209253125.db2.gz SHUFCRHLMCZSNL-UHFFFAOYSA-N 0 0 394.504 4.371 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(C)c1 ZINC000000623412 209251288 /nfs/dbraw/zinc/25/12/88/209251288.db2.gz PCOMWVMTKLTCSJ-FQEVSTJZSA-N 0 0 383.488 4.171 50 30 GIEARN C[C@@H]1CCc2[nH]c3ccc(C(=O)OCC(=O)Nc4sccc4C#N)cc3c2C1 ZINC000009114226 209247751 /nfs/dbraw/zinc/24/77/51/209247751.db2.gz UPFBJIHZEQPHIX-GFCCVEGCSA-N 0 0 393.468 4.021 50 30 GIEARN C=CCOc1ccc([C@H]2CC(=O)N(c3ccc(CC)cc3)C3=C2C(=O)OC3)cc1 ZINC000035143170 209182992 /nfs/dbraw/zinc/18/29/92/209182992.db2.gz PJHJONSDHJGZRD-HXUWFJFHSA-N 0 0 389.451 4.145 50 30 GIEARN COc1ccc(C2CC(=O)C(=CNc3cccc(Cl)c3)C(=O)C2)cc1OC ZINC000001410296 212060571 /nfs/dbraw/zinc/06/05/71/212060571.db2.gz YJUPDPZXZWVIDU-UHFFFAOYSA-N 0 0 385.847 4.369 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(Cl)cc1 ZINC000002487242 209171425 /nfs/dbraw/zinc/17/14/25/209171425.db2.gz DYGWHQFLEPNVJX-HOCLYGCPSA-N 0 0 390.892 4.108 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O ZINC000001157840 209169691 /nfs/dbraw/zinc/16/96/91/209169691.db2.gz ODDPNWONEMZFCX-HGLKBHAMSA-N 0 0 394.290 4.296 50 30 GIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2sc(C)c(C)c2c1=O ZINC000001077453 209168810 /nfs/dbraw/zinc/16/88/10/209168810.db2.gz YJTQLWNWLZXEHS-UHFFFAOYSA-N 0 0 387.486 4.461 50 30 GIEARN C=C(C)COc1ccc(-c2nc(N)nc(C)c2-c2ccc(OC)cc2)c(O)c1 ZINC000013125500 209165027 /nfs/dbraw/zinc/16/50/27/209165027.db2.gz CQMISAYYTJGGAA-UHFFFAOYSA-N 0 0 377.444 4.370 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012793448 209164387 /nfs/dbraw/zinc/16/43/87/209164387.db2.gz HXFADCOFNZUUOI-SQEWALACSA-N 0 0 391.467 4.400 50 30 GIEARN C=CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(Cc1ccccc1)CC2 ZINC000013116322 209164195 /nfs/dbraw/zinc/16/41/95/209164195.db2.gz FEPLCODWFOEWGR-UHFFFAOYSA-N 0 0 387.531 4.100 50 30 GIEARN C=CCn1c(SCc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 ZINC000005482245 209140978 /nfs/dbraw/zinc/14/09/78/209140978.db2.gz STLQRPGRPQWXMT-UHFFFAOYSA-N 0 0 393.512 4.121 50 30 GIEARN C=CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(C)(=O)=O ZINC000004811268 209140762 /nfs/dbraw/zinc/14/07/62/209140762.db2.gz ZZCXMAGIMWOCLT-UHFFFAOYSA-N 0 0 386.517 4.323 50 30 GIEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004852039 209139976 /nfs/dbraw/zinc/13/99/76/209139976.db2.gz QZJJOVCSLYBJGI-UHFFFAOYSA-N 0 0 392.480 4.070 50 30 GIEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O ZINC000004820239 209139686 /nfs/dbraw/zinc/13/96/86/209139686.db2.gz ZHJYQFNGAIQSEO-UHFFFAOYSA-N 0 0 395.466 4.395 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 ZINC000005102390 209139714 /nfs/dbraw/zinc/13/97/14/209139714.db2.gz HVKYUSPFYWNQNO-SFHVURJKSA-N 0 0 394.456 4.034 50 30 GIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2C)CC1=O ZINC000004385954 209138106 /nfs/dbraw/zinc/13/81/06/209138106.db2.gz GDFAIHHFBCMZHL-LJQANCHMSA-N 0 0 389.499 4.234 50 30 GIEARN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21 ZINC000003873878 209138197 /nfs/dbraw/zinc/13/81/97/209138197.db2.gz NSBRKSWSLRQPJW-WWLNLUSPSA-N 0 0 396.487 4.354 50 30 in-man GIEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000004033348 209137545 /nfs/dbraw/zinc/13/75/45/209137545.db2.gz XNMKUJYJOPITKW-CQSZACIVSA-N 0 0 383.373 4.209 50 30 GIEARN C=CCOc1ccccc1/C=C1\N=C(c2ccc(Br)cc2)OC1=O ZINC000002844354 211791362 /nfs/dbraw/zinc/79/13/62/211791362.db2.gz JCFRNQZFAVDBOU-VBKFSLOCSA-N 0 0 384.229 4.358 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000002874321 211788248 /nfs/dbraw/zinc/78/82/48/211788248.db2.gz ASFKICALRXQIPI-GOSISDBHSA-N 0 0 378.457 4.328 50 30 GIEARN COc1cc(CSc2nc(C)c(C(C)=O)cc2C#N)ccc1OC(F)F ZINC000012796304 211689929 /nfs/dbraw/zinc/68/99/29/211689929.db2.gz YZAYYPRKEXYCSO-UHFFFAOYSA-N 0 0 378.400 4.367 50 30 GIEARN C=CCN1c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000008958726 211601825 /nfs/dbraw/zinc/60/18/25/211601825.db2.gz PANBOSIFEULESF-UHFFFAOYSA-N 0 0 398.890 4.459 50 30 GIEARN N#Cc1cccc(COC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000007430812 211586858 /nfs/dbraw/zinc/58/68/58/211586858.db2.gz QABIHZFQNGEHEF-UHFFFAOYSA-N 0 0 380.625 4.096 50 30 GIEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)cc1 ZINC000004193768 211535630 /nfs/dbraw/zinc/53/56/30/211535630.db2.gz ZJEQYWGJESTIPV-PDGQHHTCSA-N 0 0 398.484 4.166 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1C ZINC000097105033 211358093 /nfs/dbraw/zinc/35/80/93/211358093.db2.gz NPLNXDJTEIHPCD-NFBKMPQASA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 ZINC000097104870 211356977 /nfs/dbraw/zinc/35/69/77/211356977.db2.gz AWOQOWCGIVPNST-SIKLNZKXSA-N 0 0 398.430 4.162 50 30 GIEARN N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000096346448 211335978 /nfs/dbraw/zinc/33/59/78/211335978.db2.gz UZYYCMIAZOEUJL-RTWAWAEBSA-N 0 0 384.483 4.140 50 30 GIEARN CCn1nnc2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)ccc21 ZINC000095364863 211226414 /nfs/dbraw/zinc/22/64/14/211226414.db2.gz JBERGKGAERHSDB-UHFFFAOYSA-N 0 0 379.489 4.296 50 30 GIEARN N#Cc1ccc(N2C(=O)/C(=C\C(=O)c3c[nH]c4ccccc43)SC2=S)cc1 ZINC000077024421 211127805 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Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3ccccc3)CC2)c1 ZINC000032946358 524530260 /nfs/dbraw/zinc/53/02/60/524530260.db2.gz PVVQKSBLBPXGIA-UHFFFAOYSA-N 0 0 398.510 4.426 50 30 GIEARN Cc1ccc(NC(=O)C(=O)C2=C(O)C3=C(CC2)Nc2ccccc2S3)cc1C ZINC000100721879 525014599 /nfs/dbraw/zinc/01/45/99/525014599.db2.gz HHXQJMJTJRSUMP-HNNXBMFYSA-N 0 0 392.480 4.220 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)cc1 ZINC000013127069 525233492 /nfs/dbraw/zinc/23/34/92/525233492.db2.gz UQYVXKHOXAEXQJ-AOMKIAJQSA-N 0 0 386.455 4.011 50 30 GIEARN COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@@H]32)cc1OC ZINC000100414682 525394068 /nfs/dbraw/zinc/39/40/68/525394068.db2.gz YKTRXNDOVJDMTN-RBBKRZOGSA-N 0 0 387.435 4.110 50 30 GIEARN Cc1[nH]c2ccccc2c1CCNC=C1C(=O)CC(c2ccc(F)cc2)CC1=O ZINC000100130583 525445200 /nfs/dbraw/zinc/44/52/00/525445200.db2.gz YLMIDGSHFPIZFH-UHFFFAOYSA-N 0 0 390.458 4.347 50 30 GIEARN COc1ccc2oc(=O)c(-c3cnc(N=NCc4ccccc4O)s3)cc2c1 ZINC000006647252 525684150 /nfs/dbraw/zinc/68/41/50/525684150.db2.gz XFGWNFVKCDHDGA-LSHDLFTRSA-N 0 0 393.424 4.077 50 30 GIEARN C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000006351646 525896874 /nfs/dbraw/zinc/89/68/74/525896874.db2.gz RIQZJLQIBAOVLI-QGZVFWFLSA-N 0 0 392.455 4.367 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000005446334 525984057 /nfs/dbraw/zinc/98/40/57/525984057.db2.gz DCGRXFWBXNQDAP-NRFANRHFSA-N 0 0 384.435 4.169 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000004632293 525985450 /nfs/dbraw/zinc/98/54/50/525985450.db2.gz LWKRGUJUXVKIOE-IBGZPJMESA-N 0 0 399.512 4.450 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccs2)cc1 ZINC000013570931 526031558 /nfs/dbraw/zinc/03/15/58/526031558.db2.gz HYHQMNHNWLJZOT-OAHLLOKOSA-N 0 0 382.466 4.296 50 30 GIEARN C=CCN(Cc1cccc2ccccc21)S(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000007973333 526350935 /nfs/dbraw/zinc/35/09/35/526350935.db2.gz RYPZBUIICCCINB-UHFFFAOYSA-N 0 0 379.481 4.419 50 30 GIEARN Oc1ccc2ccccc2c1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019773236 526355315 /nfs/dbraw/zinc/35/53/15/526355315.db2.gz WVHGHMAUSGTMRP-BUVRLJJBSA-N 0 0 379.891 4.351 50 30 GIEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1ccccc1F ZINC000004282292 526438306 /nfs/dbraw/zinc/43/83/06/526438306.db2.gz WIFXCAFVGQXFLF-OEAKJJBVSA-N 0 0 399.491 4.176 50 30 GIEARN N#Cc1ccccc1Cn1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000004048009 526738057 /nfs/dbraw/zinc/73/80/57/526738057.db2.gz MWCKNBCIKNGDDP-BRJLIKDPSA-N 0 0 396.410 4.310 50 30 GIEARN O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000102802238 526957405 /nfs/dbraw/zinc/95/74/05/526957405.db2.gz RKKOJCXYDREYOJ-CQVACKJZSA-N 0 0 382.419 4.264 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccco2)sc1C ZINC000102799369 526961959 /nfs/dbraw/zinc/96/19/59/526961959.db2.gz XBSVECSASFKMID-HVESIFNPSA-N 0 0 394.452 4.288 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000009331923 527031534 /nfs/dbraw/zinc/03/15/34/527031534.db2.gz ZRIJEZJWHILNFX-VLIAUNLRSA-N 0 0 394.837 4.486 50 30 GIEARN O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000015016126 527088615 /nfs/dbraw/zinc/08/86/15/527088615.db2.gz ZFABGPZCGZZWJA-YPKPFQOOSA-N 0 0 390.251 4.207 50 30 GIEARN Cc1nc2ccccc2c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000004240292 527159663 /nfs/dbraw/zinc/15/96/63/527159663.db2.gz ITTAOJKWPDERKE-HNNXBMFYSA-N 0 0 376.485 4.366 50 30 GIEARN C=CCn1c(S[C@H](CC)C(=O)Nc2ccccc2F)nnc1-c1ccncc1 ZINC000020173340 527346479 /nfs/dbraw/zinc/34/64/79/527346479.db2.gz JGJMPPLGAKXABW-QGZVFWFLSA-N 0 0 397.479 4.175 50 30 GIEARN O=[N+]([O-])c1ccccc1/C=N/[C@@H]1CCCC[C@@H]1/N=C/c1ccccc1[N+](=O)[O-] ZINC000100052795 527398210 /nfs/dbraw/zinc/39/82/10/527398210.db2.gz QKHJFYNPGVPCLF-UKSRJRLHSA-N 0 0 380.404 4.352 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccccc1 ZINC000032972387 527628009 /nfs/dbraw/zinc/62/80/09/527628009.db2.gz LYIVPGOXZKIGJH-UHFFFAOYSA-N 0 0 389.503 4.052 50 30 GIEARN O=C(/C=C\c1c(C2CC2)nc2sccn12)c1ccc(N2CCCC2=O)cc1 ZINC000098052992 527653612 /nfs/dbraw/zinc/65/36/12/527653612.db2.gz ALFUPPNMQPWFSH-KTKRTIGZSA-N 0 0 377.469 4.296 50 30 GIEARN O=C(/C=C\c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)c1cccnc1 ZINC000096766361 527659696 /nfs/dbraw/zinc/65/96/96/527659696.db2.gz SLPHWVDAYJLZNT-YPKPFQOOSA-N 0 0 379.419 4.394 50 30 GIEARN CCOC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC ZINC000000727028 528841533 /nfs/dbraw/zinc/84/15/33/528841533.db2.gz PITIDJZLCLSERK-FSJBWODESA-N 0 0 398.484 4.200 50 30 GIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(F)c2)cc1 ZINC000046126397 570210234 /nfs/dbraw/zinc/21/02/34/570210234.db2.gz RHMQURKPYIEIDY-UHFFFAOYSA-N 0 0 376.435 4.181 50 30 GIEARN CCOc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCc2cccnc2)cc1 ZINC000046127114 570210240 /nfs/dbraw/zinc/21/02/40/570210240.db2.gz XBJCPCOKEPBIOZ-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(F)cc2)cc1 ZINC000046128297 570210578 /nfs/dbraw/zinc/21/05/78/570210578.db2.gz SYEAEUNJGLDOII-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN Cc1ccc(C)c(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@@H]2CCCO2)c1 ZINC000046130132 570211363 /nfs/dbraw/zinc/21/13/63/570211363.db2.gz FEBBNPPFNRLEFM-FQEVSTJZSA-N 0 0 379.504 4.297 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)cc1 ZINC000046130659 570211663 /nfs/dbraw/zinc/21/16/63/570211663.db2.gz DUTUQGHWCDPUAD-NRFANRHFSA-N 0 0 379.504 4.495 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)cc(C)c2)cc1 ZINC000046131574 570211977 /nfs/dbraw/zinc/21/19/77/570211977.db2.gz BFGXHWMIWFZBAY-NRFANRHFSA-N 0 0 395.503 4.079 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(Cl)cc2C)cc1 ZINC000046132891 570213395 /nfs/dbraw/zinc/21/33/95/570213395.db2.gz ZZCUIFZFICEXDP-GOSISDBHSA-N 0 0 385.895 4.334 50 30 GIEARN O=C(N=C(NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000046133085 570213439 /nfs/dbraw/zinc/21/34/39/570213439.db2.gz WJEJQMJBIJQCSX-QGZVFWFLSA-N 0 0 391.393 4.082 50 30 GIEARN O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1c(O)ccc2ccccc21 ZINC000000726821 570221200 /nfs/dbraw/zinc/22/12/00/570221200.db2.gz JJZROHYNNNNKRM-ZVHZXABRSA-N 0 0 381.391 4.398 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C)o1 ZINC000000781144 570222700 /nfs/dbraw/zinc/22/27/00/570222700.db2.gz BXHYNXULWASURE-RNODOKPDSA-N 0 0 383.469 4.184 50 30 GIEARN CCOC(=O)C1(CCc2ccccc2)CCN(CC#Cc2ccccc2)CC1 ZINC000012594174 570237475 /nfs/dbraw/zinc/23/74/75/570237475.db2.gz QNZASXBBNXPNDP-UHFFFAOYSA-N 0 0 375.512 4.316 50 30 GIEARN C=CCn1c(SCCOc2ccccc2C(C)=O)nc2ccsc2c1=O ZINC000012636694 570238175 /nfs/dbraw/zinc/23/81/75/570238175.db2.gz HEIHSGHWOQXBGH-UHFFFAOYSA-N 0 0 386.498 4.018 50 30 GIEARN C#CC(CC)(CC)NC(=O)CSc1nc(-c2ccco2)nc2ccccc21 ZINC000012857936 570239213 /nfs/dbraw/zinc/23/92/13/570239213.db2.gz UIVKUXZZMRDLTD-UHFFFAOYSA-N 0 0 379.485 4.290 50 30 GIEARN N#Cc1ccc(NC(=O)CSC2=Nc3ccccc3[C@@H]3CC=NN23)cc1Cl ZINC000006083475 570239246 /nfs/dbraw/zinc/23/92/46/570239246.db2.gz MWDDLDDBPQTLTO-KRWDZBQOSA-N 0 0 395.875 4.317 50 30 GIEARN Cc1cnc([C@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)s1 ZINC000006084147 570239286 /nfs/dbraw/zinc/23/92/86/570239286.db2.gz DYZRPSUKMHCSGX-KNQAVFIVSA-N 0 0 389.528 4.322 50 30 GIEARN CN(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1cc(Cl)ccc1C#N ZINC000151695506 570240639 /nfs/dbraw/zinc/24/06/39/570240639.db2.gz VCDLQSFWYSDAGK-UHFFFAOYSA-N 0 0 389.842 4.485 50 30 GIEARN CCOc1ccc([C@@H]2[C@H](C(C)=O)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 ZINC000035190054 570248739 /nfs/dbraw/zinc/24/87/39/570248739.db2.gz XEOYUMVCLDBUCV-XPWALMASSA-N 0 0 383.451 4.201 50 30 GIEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000020568849 570268612 /nfs/dbraw/zinc/26/86/12/570268612.db2.gz OLKSSWLBAFUKAA-JOCHJYFZSA-N 0 0 389.451 4.104 50 30 GIEARN COc1ccc(OC)c(-c2csc(NC(=O)CN3CCCCCC3)n2)c1 ZINC000049578555 570270086 /nfs/dbraw/zinc/27/00/86/570270086.db2.gz BXVRAICOSVFOKR-UHFFFAOYSA-N 0 0 375.494 4.291 50 30 GIEARN N#Cc1ccc(CSCC(=O)Nc2ccnn2Cc2cccc(Cl)c2)cc1 ZINC000049604553 570270829 /nfs/dbraw/zinc/27/08/29/570270829.db2.gz IQGMNTVEMVLXJW-UHFFFAOYSA-N 0 0 396.903 4.328 50 30 GIEARN COc1cc(Br)cc(/C=N/c2ccc3nc(C)c(C)nc3c2)c1O ZINC000100318998 570270949 /nfs/dbraw/zinc/27/09/49/570270949.db2.gz NATZKSGVHZWXHN-AWQFTUOYSA-N 0 0 386.249 4.474 50 30 GIEARN C=CCn1c(S[C@@H](CC)C(=O)Nc2ccccc2F)nnc1-c1ccncc1 ZINC000020173342 570283233 /nfs/dbraw/zinc/28/32/33/570283233.db2.gz JGJMPPLGAKXABW-KRWDZBQOSA-N 0 0 397.479 4.175 50 30 GIEARN CCNC(=S)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000002391537 570285640 /nfs/dbraw/zinc/28/56/40/570285640.db2.gz UPCUPRJNVMHUHR-UFFVCSGVSA-N 0 0 396.299 4.031 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1Cn1cccn1 ZINC000006847128 570290171 /nfs/dbraw/zinc/29/01/71/570290171.db2.gz SRIFJJSNEVBDOL-YCRREMRBSA-N 0 0 384.382 4.438 50 30 GIEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C#N)s2)cc1 ZINC000004835659 570310382 /nfs/dbraw/zinc/31/03/82/570310382.db2.gz KQYCXRKQCOXDTH-UHFFFAOYSA-N 0 0 381.486 4.193 50 30 GIEARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)cc1 ZINC000012323434 570314303 /nfs/dbraw/zinc/31/43/03/570314303.db2.gz QJBGDNJKUXOVFT-KZULUSFZSA-N 0 0 394.456 4.119 50 30 GIEARN CC(=O)Oc1ccc([C@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)C2(C#N)C#N)cc1 ZINC000006186448 570317284 /nfs/dbraw/zinc/31/72/84/570317284.db2.gz QEBXNHPUZZCFPR-XTYQPILXSA-N 0 0 388.467 4.144 50 30 GIEARN COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cccc(C#N)c3)c2C)cc1 ZINC000023510780 570325413 /nfs/dbraw/zinc/32/54/13/570325413.db2.gz INQNIHYHNBDLAV-UHFFFAOYSA-N 0 0 388.423 4.014 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2sc3c(c2c1=O)CCC3 ZINC000000784796 570328863 /nfs/dbraw/zinc/32/88/63/570328863.db2.gz FVMMRBARTJZUHY-UHFFFAOYSA-N 0 0 396.537 4.416 50 30 GIEARN CC1(C)CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000023001894 570339982 /nfs/dbraw/zinc/33/99/82/570339982.db2.gz OHXVILJHXXXTKH-UHFFFAOYSA-N 0 0 387.833 4.149 50 30 GIEARN CC(=O)[C@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366108 570344406 /nfs/dbraw/zinc/34/44/06/570344406.db2.gz LKNUEHIZNUCUFJ-JBACZVJFSA-N 0 0 375.378 4.081 50 30 GIEARN N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(-c2ccccc2)n1 ZINC000007886328 570345541 /nfs/dbraw/zinc/34/55/41/570345541.db2.gz MFODRBWZOHPSJN-JOCHJYFZSA-N 0 0 383.455 4.193 50 30 GIEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2Cl)cc1 ZINC000003410572 570345999 /nfs/dbraw/zinc/34/59/99/570345999.db2.gz YHKRNCDEYHFWRG-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN CCc1cc(NCc2ccc(-n3ccnc3)nc2)n2c3ccccc3nc2c1C#N ZINC000024927784 570347020 /nfs/dbraw/zinc/34/70/20/570347020.db2.gz FXFYAJIENHOUPX-UHFFFAOYSA-N 0 0 393.454 4.114 50 30 GIEARN COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)no2)c1 ZINC000004880811 570354468 /nfs/dbraw/zinc/35/44/68/570354468.db2.gz SGBTUQGUXSHNJF-UHFFFAOYSA-N 0 0 379.441 4.414 50 30 GIEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC ZINC000004066494 570356338 /nfs/dbraw/zinc/35/63/38/570356338.db2.gz JMEOGJMLTKWQAU-NRFANRHFSA-N 0 0 381.472 4.173 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000004918640 570365748 /nfs/dbraw/zinc/36/57/48/570365748.db2.gz GFRHDHSAMZTCMY-UGKGYDQZSA-N 0 0 398.430 4.162 50 30 GIEARN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000004286289 570365776 /nfs/dbraw/zinc/36/57/76/570365776.db2.gz RDLOTUUWGMTSFJ-APSNUPSMSA-N 0 0 389.198 4.374 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000004920141 570366475 /nfs/dbraw/zinc/36/64/75/570366475.db2.gz ZJAXURBEKXUMHH-NZQKXSOJSA-N 0 0 394.467 4.332 50 30 GIEARN O=c1[nH][nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(N2)c2ccccc2C1=O ZINC000012349285 570369894 /nfs/dbraw/zinc/36/98/94/570369894.db2.gz ALRYIRZJOOGBGD-ZDUSSCGKSA-N 0 0 383.329 4.299 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(N(C)C)cc2)C1=O ZINC000004459985 570375903 /nfs/dbraw/zinc/37/59/03/570375903.db2.gz IUWCDJHSYKBNGI-JXAWBTAJSA-N 0 0 394.496 4.296 50 30 GIEARN CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(-n3nncc3C(C)(C)C)cc2)cc1 ZINC000004948774 570379455 /nfs/dbraw/zinc/37/94/55/570379455.db2.gz HKVHKUCOUKYWEO-VGOFMYFVSA-N 0 0 388.471 4.419 50 30 GIEARN CCC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004952063 570380779 /nfs/dbraw/zinc/38/07/79/570380779.db2.gz IJPWHHSNVWXTKV-YGHXBTADSA-N 0 0 381.501 4.329 50 30 GIEARN Cc1cc(C)c(CSc2nc(N=NCc3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000008548854 570380982 /nfs/dbraw/zinc/38/09/82/570380982.db2.gz YYDGPJHHDWEGNU-KEBDBYFISA-N 0 0 396.476 4.376 50 30 GIEARN CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)Cc1c(F)cccc1Cl ZINC000024679244 570389532 /nfs/dbraw/zinc/38/95/32/570389532.db2.gz BHOURDJFAGYFKS-CQSZACIVSA-N 0 0 394.837 4.148 50 30 GIEARN CCOc1c(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000004655949 570389797 /nfs/dbraw/zinc/38/97/97/570389797.db2.gz IBNYLIPZLVTXQU-VCHYOVAHSA-N 0 0 394.225 4.211 50 30 GIEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2c(CC)cccc2CC)C1=O ZINC000006350001 570396043 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30 GIEARN CCOc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005245221 570526413 /nfs/dbraw/zinc/52/64/13/570526413.db2.gz YNXISBGXFBSCMX-ZHRRBRCNSA-N 0 0 386.455 4.093 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000009087741 570548595 /nfs/dbraw/zinc/54/85/95/570548595.db2.gz SYLSFEGJOFDZEQ-IBGZPJMESA-N 0 0 383.419 4.213 50 30 GIEARN COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732464 570557360 /nfs/dbraw/zinc/55/73/60/570557360.db2.gz IXAZQWVXRNWFJK-FQEVSTJZSA-N 0 0 390.418 4.115 50 30 GIEARN CSc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)cc1 ZINC000009484253 570558823 /nfs/dbraw/zinc/55/88/23/570558823.db2.gz FJCSFSXIQJCVHR-YJYMSZOUSA-N 0 0 378.457 4.009 50 30 GIEARN C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NC1CCCCC1 ZINC000009483207 570558919 /nfs/dbraw/zinc/55/89/19/570558919.db2.gz LUCXIBWBQGMSQW-INIZCTEOSA-N 0 0 395.547 4.399 50 30 GIEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc(C(F)(F)F)cc1 ZINC000005353148 570559873 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N#Cc1c2c(sc1NC(=O)CSc1ccc3c(c1)OCCO3)CCCC2 ZINC000006889292 570683363 /nfs/dbraw/zinc/68/33/63/570683363.db2.gz HDPZDTUPMFASBR-UHFFFAOYSA-N 0 0 386.498 4.001 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccnc1 ZINC000002263873 570719473 /nfs/dbraw/zinc/71/94/73/570719473.db2.gz ICOZVPBCUGRYPS-UHFFFAOYSA-N 0 0 393.516 4.380 50 30 GIEARN N#Cc1ccc(S(=O)(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)cc1 ZINC000207001648 570770307 /nfs/dbraw/zinc/77/03/07/570770307.db2.gz KWPYJQIKEBJASS-GOSISDBHSA-N 0 0 392.933 4.081 50 30 GIEARN CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000257355417 570785472 /nfs/dbraw/zinc/78/54/72/570785472.db2.gz APAJGQRLHCDZTD-RCRWJJQLSA-N 0 0 384.516 4.001 50 30 GIEARN COc1cc([C@@H](C)NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccncc1 ZINC000046672040 570796583 /nfs/dbraw/zinc/79/65/83/570796583.db2.gz SLFNQUBTCFGVAP-MRXNPFEDSA-N 0 0 387.439 4.032 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864495 570798749 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N#Cc1c2c(sc1NC(=O)c1ccc(N3CCCCC3)c([N+](=O)[O-])c1)CCC2 ZINC000004687304 570828240 /nfs/dbraw/zinc/82/82/40/570828240.db2.gz SLNXFCLDGBGPEE-UHFFFAOYSA-N 0 0 396.472 4.259 50 30 GIEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000004680522 570829157 /nfs/dbraw/zinc/82/91/57/570829157.db2.gz HMJRARSIBSVSPK-DBEKTMTRSA-N 0 0 385.836 4.343 50 30 GIEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000102104153 570841087 /nfs/dbraw/zinc/84/10/87/570841087.db2.gz CJMRDYZEFMRMCY-LBPRGKRZSA-N 0 0 377.450 4.472 50 30 GIEARN COCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N\c1ccccc1 ZINC000004696368 570841301 /nfs/dbraw/zinc/84/13/01/570841301.db2.gz FDTBXEWJEYBGOT-WJCPARMISA-N 0 0 388.876 4.296 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C#N)cnn32)c(OC)c1 ZINC000102840079 570866693 /nfs/dbraw/zinc/86/66/93/570866693.db2.gz QNVQSMNFJKXXLF-LJQANCHMSA-N 0 0 378.432 4.080 50 30 GIEARN N#Cc1c(F)cccc1NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170624909 570879318 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O=C(C(=CNc1ccc(Br)cc1)C(=O)C(F)(F)F)c1ccco1 ZINC000104955072 570909731 /nfs/dbraw/zinc/90/97/31/570909731.db2.gz VKBLDFOAOXETBU-DHZHZOJOSA-N 0 0 388.139 4.352 50 30 GIEARN C=CCn1c2ccccc2nc1SCC(=O)NC(=O)NCCC1=CCCCC1 ZINC000012648388 570935287 /nfs/dbraw/zinc/93/52/87/570935287.db2.gz XUHKVJNDBRXCAZ-UHFFFAOYSA-N 0 0 398.532 4.031 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccn1 ZINC000002388579 570947665 /nfs/dbraw/zinc/94/76/65/570947665.db2.gz PFTUTHJHCLXXKA-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cn1 ZINC000107346763 570972916 /nfs/dbraw/zinc/97/29/16/570972916.db2.gz ZBXWRWJLOBAJTQ-CWRNSKLLSA-N 0 0 382.533 4.246 50 30 GIEARN CCN(CC)S(=O)(=O)c1ccc(NC=CC(=O)c2cc(C)ccc2C)cc1 ZINC000044844633 570980229 /nfs/dbraw/zinc/98/02/29/570980229.db2.gz RSNTUSRUEMGOCH-BUHFOSPRSA-N 0 0 386.517 4.142 50 30 GIEARN COc1cc(/C=C\C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC ZINC000033335923 570989497 /nfs/dbraw/zinc/98/94/97/570989497.db2.gz 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COc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1 ZINC000045940518 571001748 /nfs/dbraw/zinc/00/17/48/571001748.db2.gz XRUBDULNTQZQIW-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccncc2)cc1C ZINC000045940502 571001807 /nfs/dbraw/zinc/00/18/07/571001807.db2.gz KEZPPLOBHIZGCH-UHFFFAOYSA-N 0 0 376.435 4.236 50 30 GIEARN COC(=O)c1ccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2C)cc1 ZINC000252594517 571003327 /nfs/dbraw/zinc/00/33/27/571003327.db2.gz BSXZCSDSVDAYGW-PEHVDOEWSA-N 0 0 378.453 4.263 50 30 GIEARN CN1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=Nc1ccc(Cl)cc1 ZINC000252602098 571005738 /nfs/dbraw/zinc/00/57/38/571005738.db2.gz FFJMXMKUFWLDOL-IUKYACNJSA-N 0 0 387.823 4.035 50 30 GIEARN N#Cc1c2c(sc1NC(=O)[C@@H]1CC(c3cccc(F)c3)=NO1)CCCCC2 ZINC000084372113 571015130 /nfs/dbraw/zinc/01/51/30/571015130.db2.gz AQHRFBBTXCCIGC-KRWDZBQOSA-N 0 0 383.448 4.159 50 30 GIEARN c1ccc(CN=Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000252612911 571015785 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O=C(/C=C/c1ccc(-n2ccnc2)c(F)c1)c1cccc(N2CCCC2=O)c1 ZINC000025061157 819918496 /nfs/dbraw/zinc/91/84/96/819918496.db2.gz SFTIVQOLORFPPE-VQHVLOKHSA-N 0 0 375.403 4.034 50 30 GIEARN Cc1ccc(-c2nc(CN3C(=O)CS/C3=C\C(=O)C(C)(C)C)co2)c(C)c1 ZINC000029368041 820444924 /nfs/dbraw/zinc/44/49/24/820444924.db2.gz PXZVSRPFKSJJNR-OCKHKDLRSA-N 0 0 384.501 4.490 50 30 GIEARN N#Cc1ccccc1NC(=O)COC(=O)/C(=C\c1cccs1)c1cccs1 ZINC000035077920 821063898 /nfs/dbraw/zinc/06/38/98/821063898.db2.gz ACOUKQORMZBFSY-WJDWOHSUSA-N 0 0 394.477 4.404 50 30 GIEARN C[C@@H](C#N)Sc1nnc(CN2CCCCC2)n1-c1ccccc1C(F)(F)F ZINC000039574176 821116844 /nfs/dbraw/zinc/11/68/44/821116844.db2.gz SRPCJTWGMOWHNZ-ZDUSSCGKSA-N 0 0 395.454 4.276 50 30 GIEARN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCCCN1CCOCC1 ZINC000039929604 821123352 /nfs/dbraw/zinc/12/33/52/821123352.db2.gz NEEDWNHPTZFQGJ-UHFFFAOYSA-N 0 0 398.510 4.421 50 30 GIEARN N#CCCN(C(=O)COC(=O)C1(c2cccc(Cl)c2)CCC1)c1ccccc1 ZINC000040050587 821127816 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N#Cc1ccc(SCC(=O)Nc2c(F)cc(Br)cc2F)cc1 ZINC000175252829 822915077 /nfs/dbraw/zinc/91/50/77/822915077.db2.gz LMWLWVIPKQIROB-UHFFFAOYSA-N 0 0 383.217 4.330 50 30 GIEARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)c(OC)c1 ZINC000018197185 210216670 /nfs/dbraw/zinc/21/66/70/210216670.db2.gz COEGWJDKYMGFQX-QFIPXVFZSA-N 0 0 395.455 4.286 50 30 GIEARN CCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4cccs4)CC3=Nc3ncnn32)cc1 ZINC000018197640 210216261 /nfs/dbraw/zinc/21/62/61/210216261.db2.gz UAKPIGTZHVSETH-VBKZILBWSA-N 0 0 392.484 4.154 50 30 GIEARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)cc1OC ZINC000018197169 210216125 /nfs/dbraw/zinc/21/61/25/210216125.db2.gz WSESRSYJNNULEF-JOCHJYFZSA-N 0 0 395.455 4.286 50 30 GIEARN COCc1c(C(=O)OCCOc2ccc(C#N)cc2)sc2cccc(F)c21 ZINC000017937880 210212171 /nfs/dbraw/zinc/21/21/71/210212171.db2.gz WPDCBUPPDXOQKQ-UHFFFAOYSA-N 0 0 385.416 4.294 50 30 GIEARN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000004212221 290722236 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GIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OC)c1 ZINC000008438732 209781252 /nfs/dbraw/zinc/78/12/52/209781252.db2.gz RMHKWGSOJCGNQY-IBGZPJMESA-N 0 0 375.465 4.046 50 30 GIEARN Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000007776706 209744073 /nfs/dbraw/zinc/74/40/73/209744073.db2.gz VEGDBMOHGFBUIU-VIFPVBQESA-N 0 0 378.548 4.168 50 30 GIEARN N#Cc1ccccc1COC(=O)COc1ccc(Cl)cc1Br ZINC000007698972 209740140 /nfs/dbraw/zinc/74/01/40/209740140.db2.gz JLKSLHOYUNNDFK-UHFFFAOYSA-N 0 0 380.625 4.096 50 30 GIEARN COc1cc(/C=C(\C(C)=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000006209863 209636578 /nfs/dbraw/zinc/63/65/78/209636578.db2.gz SPJVPHJRURUAND-WOJGMQOQSA-N 0 0 398.415 4.002 50 30 GIEARN Cc1cc(C(=O)CSc2nc(C)cc(C)c2C#N)c(C)n1C[C@H]1CCCO1 ZINC000005642211 209606327 /nfs/dbraw/zinc/60/63/27/209606327.db2.gz NLHPEOMWOBWRIO-QGZVFWFLSA-N 0 0 383.517 4.142 50 30 GIEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=C/c1ccc(Br)cc1)C3=O ZINC000005165174 209576308 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CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 ZINC000004681039 209510630 /nfs/dbraw/zinc/51/06/30/209510630.db2.gz CGTGMNJQKCHQBI-VFOOBRQFSA-N 0 0 387.892 4.320 50 30 GIEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1ccccc1 ZINC000004209955 209471798 /nfs/dbraw/zinc/47/17/98/209471798.db2.gz ABXVSMKITLJGBP-PXLXIMEGSA-N 0 0 381.501 4.037 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000003970314 209459291 /nfs/dbraw/zinc/45/92/91/209459291.db2.gz SMHKIZYJELWBBQ-FQEVSTJZSA-N 0 0 393.874 4.342 50 30 GIEARN COc1ccc2c(=O)cc(C(F)(F)C(F)(F)C(F)(F)C(F)F)oc2c1 ZINC000002897336 209395719 /nfs/dbraw/zinc/39/57/19/209395719.db2.gz IYWPGUOAYMJPNT-UHFFFAOYSA-N 0 0 376.199 4.429 50 30 GIEARN CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(Cl)cc1 ZINC000002880971 209394114 /nfs/dbraw/zinc/39/41/14/209394114.db2.gz LWAMOZWGPKSQIM-UHFFFAOYSA-N 0 0 397.891 4.221 50 30 GIEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(F)cc1 ZINC000002475495 209366381 /nfs/dbraw/zinc/36/63/81/209366381.db2.gz COVBOGNHAVXIFG-VGLIXDPASA-N 0 0 391.855 4.069 50 30 GIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000002764139 209382070 /nfs/dbraw/zinc/38/20/70/209382070.db2.gz QIPWTHGOZRPTJA-LBPRGKRZSA-N 0 0 385.445 4.060 50 30 GIEARN N#Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000002653215 209375436 /nfs/dbraw/zinc/37/54/36/209375436.db2.gz TWCOOWODMYWDKA-UHFFFAOYSA-N 0 0 380.498 4.173 50 30 GIEARN COc1ccc(N(Cc2ccccc2C#N)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000002645468 209373575 /nfs/dbraw/zinc/37/35/75/209373575.db2.gz LFUCAAJSYQUJSQ-UHFFFAOYSA-N 0 0 392.480 4.271 50 30 GIEARN N#Cc1cccc(NC(=O)COc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000002627117 209373006 /nfs/dbraw/zinc/37/30/06/209373006.db2.gz IEIOYGSSXJUASW-UHFFFAOYSA-N 0 0 386.436 4.247 50 30 GIEARN C=C(C)Cn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002361724 209359000 /nfs/dbraw/zinc/35/90/00/209359000.db2.gz RBLHZOXHUWCHNN-UHFFFAOYSA-N 0 0 377.513 4.470 50 30 GIEARN Cc1cc(C)nc(N=C(NC(=O)c2ccccc2)Nc2ccc(Cl)cc2)n1 ZINC000002267621 209353743 /nfs/dbraw/zinc/35/37/43/209353743.db2.gz LXOMAGFKMLJKCW-UHFFFAOYSA-N 0 0 379.851 4.276 50 30 GIEARN CC(C)OC(=O)CC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2 ZINC000001903419 209342177 /nfs/dbraw/zinc/34/21/77/209342177.db2.gz KCWFWCWYLAZZPC-UHFFFAOYSA-N 0 0 394.496 4.112 50 30 GIEARN N#Cc1ccsc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000001896283 209341784 /nfs/dbraw/zinc/34/17/84/209341784.db2.gz DAENUGXBZCCKJH-UHFFFAOYSA-N 0 0 386.527 4.234 50 30 GIEARN Clc1ccc(N2CCN(/N=C/c3ccccc3Br)CC2)cc1 ZINC000001740154 209336982 /nfs/dbraw/zinc/33/69/82/209336982.db2.gz QIPKNCUMXAQLIT-DEDYPNTBSA-N 0 0 378.701 4.259 50 30 GIEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCO2 ZINC000001411124 209326984 /nfs/dbraw/zinc/32/69/84/209326984.db2.gz PPPIFQSRVRHXJD-GFMRDNFCSA-N 0 0 390.439 4.477 50 30 GIEARN COc1ccc(/C=C2\S/C(=N/c3cccc(Br)c3)NC2=O)cc1 ZINC000001409400 209326665 /nfs/dbraw/zinc/32/66/65/209326665.db2.gz AXKBEUSDXRVRGW-DHDCSXOGSA-N 0 0 389.274 4.349 50 30 GIEARN C[C@H]1C(=O)N(Cc2ccc(C#N)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000001385966 209325781 /nfs/dbraw/zinc/32/57/81/209325781.db2.gz BKWVTRYXVJLGKQ-INIZCTEOSA-N 0 0 399.425 4.279 50 30 GIEARN N#Cc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)cc1 ZINC000009874495 209318977 /nfs/dbraw/zinc/31/89/77/209318977.db2.gz IWUXXBPXJQYHSM-UHFFFAOYSA-N 0 0 375.501 4.027 50 30 GIEARN CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1 ZINC000001440237 209328270 /nfs/dbraw/zinc/32/82/70/209328270.db2.gz RQSVSQADLPEUCB-XDCJIHQESA-N 0 0 390.483 4.480 50 30 GIEARN CN(C)N1C(=O)C[C@H](c2cccc(F)c2)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001432863 209328392 /nfs/dbraw/zinc/32/83/92/209328392.db2.gz SJPMIDWHYOCAHE-PKOBYXMFSA-N 0 0 378.447 4.019 50 30 GIEARN C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1 ZINC000001220199 209316500 /nfs/dbraw/zinc/31/65/00/209316500.db2.gz NBEZILFAOYZIGB-FBDWHROQSA-N 0 0 399.541 4.209 50 30 GIEARN COc1ccc(CC2=C(C(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000001226286 209316024 /nfs/dbraw/zinc/31/60/24/209316024.db2.gz LAOCYKVPUUROHY-UHFFFAOYSA-N 0 0 382.415 4.496 50 30 GIEARN CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000001178142 209310922 /nfs/dbraw/zinc/31/09/22/209310922.db2.gz ZXEASXKILYTGBC-FQEVSTJZSA-N 0 0 382.460 4.494 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F ZINC000001196939 209313447 /nfs/dbraw/zinc/31/34/47/209313447.db2.gz LVWLYXDVWGQALY-INIZCTEOSA-N 0 0 379.309 4.334 50 30 GIEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000001185743 209312332 /nfs/dbraw/zinc/31/23/32/209312332.db2.gz NRJSFPNTDHUAGC-NUGSKGIGSA-N 0 0 391.258 4.445 50 30 GIEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001170233 209309672 /nfs/dbraw/zinc/30/96/72/209309672.db2.gz YTHIZUDWNLXOKX-OAQYLSRUSA-N 0 0 377.400 4.122 50 30 GIEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(F)cc1F ZINC000001079897 209298561 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50 30 GIEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(F)c3)n2)c1 ZINC000000662143 209256799 /nfs/dbraw/zinc/25/67/99/209256799.db2.gz ROBXGTFQCGUEBK-UHFFFAOYSA-N 0 0 393.443 4.499 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl ZINC000000629511 209251415 /nfs/dbraw/zinc/25/14/15/209251415.db2.gz BBEKANQWVRMWNA-GOSISDBHSA-N 0 0 377.843 4.256 50 30 GIEARN C#CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2F)c1C)c1ccccc1 ZINC000089522483 209234759 /nfs/dbraw/zinc/23/47/59/209234759.db2.gz CLTCDTCGRVCPPS-OAQYLSRUSA-N 0 0 375.447 4.052 50 30 GIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000263617572 209225267 /nfs/dbraw/zinc/22/52/67/209225267.db2.gz ONKUMRGIYFNPJW-IFEHDUAFSA-N 0 0 384.516 4.426 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(F)cc1 ZINC000020868157 209174961 /nfs/dbraw/zinc/17/49/61/209174961.db2.gz OYSVSOXOTWECDL-OAQYLSRUSA-N 0 0 377.419 4.269 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1cccc(Cl)c1 ZINC000002463567 209171357 /nfs/dbraw/zinc/17/13/57/209171357.db2.gz WOYCLXTVDGXYDQ-HOCLYGCPSA-N 0 0 390.892 4.108 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002503485 209171456 /nfs/dbraw/zinc/17/14/56/209171456.db2.gz QDWOFFVXTAJJOG-IBGZPJMESA-N 0 0 398.528 4.364 50 30 GIEARN C=CCn1c(SCC(=C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000001288513 209167922 /nfs/dbraw/zinc/16/79/22/209167922.db2.gz IJZBJUODIRHZFU-AWEZNQCLSA-N 0 0 376.547 4.410 50 30 GIEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O ZINC000000664672 209167447 /nfs/dbraw/zinc/16/74/47/209167447.db2.gz XKIIKLXGIXAIEE-RQZCQDPDSA-N 0 0 390.270 4.480 50 30 GIEARN C=CCSc1nn(CCC)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839339 209167150 /nfs/dbraw/zinc/16/71/50/209167150.db2.gz OGTFJFNBAOQQKB-JOCHJYFZSA-N 0 0 394.544 4.470 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000002463608 209170255 /nfs/dbraw/zinc/17/02/55/209170255.db2.gz LCKPPQBKXZFYIO-RDTXWAMCSA-N 0 0 384.501 4.188 50 30 GIEARN C=CCOc1cccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1 ZINC000002087059 209169773 /nfs/dbraw/zinc/16/97/73/209169773.db2.gz KKOJOXQSQGVDJY-SFHVURJKSA-N 0 0 378.457 4.328 50 30 GIEARN C=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(C)(=O)=O ZINC000001073301 209167983 /nfs/dbraw/zinc/16/79/83/209167983.db2.gz QEXZBSPWFPBYET-UHFFFAOYSA-N 0 0 399.299 4.198 50 30 GIEARN C=CCN(CC=C)C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000002136587 209168039 /nfs/dbraw/zinc/16/80/39/209168039.db2.gz VVBCFUWHMRLXQV-UHFFFAOYSA-N 0 0 387.332 4.228 50 30 GIEARN C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@](C)(CC)OC2 ZINC000000870834 209166700 /nfs/dbraw/zinc/16/67/00/209166700.db2.gz OVAHYNXVYRYJSP-SFHVURJKSA-N 0 0 382.551 4.029 50 30 GIEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(C(=O)OC)=C1C ZINC000014009527 209165955 /nfs/dbraw/zinc/16/59/55/209165955.db2.gz PQOGUEGRMBCLKQ-AQTBWJFISA-N 0 0 394.446 4.092 50 30 GIEARN C=CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1nc(-c2ccccc2)cs1 ZINC000012904547 209163919 /nfs/dbraw/zinc/16/39/19/209163919.db2.gz QCGRXXRMCGCKHI-LJQANCHMSA-N 0 0 390.464 4.111 50 30 GIEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1nccn1C(F)F)CCC3 ZINC000008778768 209162120 /nfs/dbraw/zinc/16/21/20/209162120.db2.gz OOXPZDTXRWEIJH-UHFFFAOYSA-N 0 0 394.472 4.017 50 30 GIEARN C=CCNc1nnc(SCC(=O)Nc2ccccc2SC(F)F)s1 ZINC000008994014 209161857 /nfs/dbraw/zinc/16/18/57/209161857.db2.gz CDVPRRRPFJGXNM-UHFFFAOYSA-N 0 0 388.490 4.182 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 ZINC000005586880 209140860 /nfs/dbraw/zinc/14/08/60/209140860.db2.gz LEAAFOOFDQNEFN-SFHVURJKSA-N 0 0 394.456 4.034 50 30 GIEARN C=CCN(Cc1cccc(OC)c1OC)C(=O)c1cc2ccc(OC)cc2[nH]1 ZINC000005347137 209140874 /nfs/dbraw/zinc/14/08/74/209140874.db2.gz LNRHKEYHIQYCQR-UHFFFAOYSA-N 0 0 380.444 4.022 50 30 GIEARN C#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 ZINC000004786020 209140433 /nfs/dbraw/zinc/14/04/33/209140433.db2.gz 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209138420 /nfs/dbraw/zinc/13/84/20/209138420.db2.gz ZNOUVUBSLKQYEC-LGMDPLHJSA-N 0 0 386.517 4.040 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC=C ZINC000004611353 209137590 /nfs/dbraw/zinc/13/75/90/209137590.db2.gz NVUAQNFSVJBKOG-RGEXLXHISA-N 0 0 375.424 4.469 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000004551500 209136857 /nfs/dbraw/zinc/13/68/57/209136857.db2.gz ZTXOOYLFUIXAFD-ATVHPVEESA-N 0 0 384.229 4.358 50 30 GIEARN N#Cc1ccc(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000005981159 211573220 /nfs/dbraw/zinc/57/32/20/211573220.db2.gz AVFAIASBFRMDES-UHFFFAOYSA-N 0 0 382.725 4.026 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000006293433 211577012 /nfs/dbraw/zinc/57/70/12/211577012.db2.gz NPYYMLOMHCLPCE-KRWDZBQOSA-N 0 0 398.256 4.213 50 30 GIEARN CCOc1cc(C#N)cc(I)c1OCc1ccccc1C ZINC000004751440 211549266 /nfs/dbraw/zinc/54/92/66/211549266.db2.gz IGUOPZVKBWILLS-UHFFFAOYSA-N 0 0 393.224 4.449 50 30 GIEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccc(Cl)cc2)cc1 ZINC000004889207 211554526 /nfs/dbraw/zinc/55/45/26/211554526.db2.gz BGRCECIZYYXUSQ-APOTWCRESA-N 0 0 387.892 4.203 50 30 GIEARN C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=O)N1CCOCC1 ZINC000002437902 211513787 /nfs/dbraw/zinc/51/37/87/211513787.db2.gz HUXSHJDYUBEMLO-NRFANRHFSA-N 0 0 384.476 4.250 50 30 GIEARN N#Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000001507450 211510324 /nfs/dbraw/zinc/51/03/24/211510324.db2.gz UGHZSQPKUDJOSM-UHFFFAOYSA-N 0 0 384.804 4.496 50 30 GIEARN CCc1cccc2c1NC(=O)/C2=C1\S/C(=N\c2ccc(Cl)cc2)N(C)C1=O ZINC000101013783 211394257 /nfs/dbraw/zinc/39/42/57/211394257.db2.gz CMTKACJSQFVABG-FGIXQLCWSA-N 0 0 397.887 4.459 50 30 GIEARN CCN1c2ccccc2/C(=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000101013751 211393885 /nfs/dbraw/zinc/39/38/85/211393885.db2.gz CKJUAMAQHQDFNS-XTRLNYPVSA-N 0 0 397.887 4.311 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1C ZINC000097105036 211359270 /nfs/dbraw/zinc/35/92/70/211359270.db2.gz NPLNXDJTEIHPCD-OFNKIYASSA-N 0 0 394.467 4.332 50 30 GIEARN CC(C)(O)CCc1cccc(C(=O)N2CCC(c3cccc(C#N)c3)CC2)c1 ZINC000072479534 211123943 /nfs/dbraw/zinc/12/39/43/211123943.db2.gz DHNJMAXTELXROA-UHFFFAOYSA-N 0 0 376.500 4.282 50 30 GIEARN N#Cc1c(N)nc(-c2ccc(F)cc2C(F)(F)F)cc1-c1ccc(O)c(O)c1 ZINC000071764598 211060304 /nfs/dbraw/zinc/06/03/04/211060304.db2.gz TUIPWBXAHFSGMF-UHFFFAOYSA-N 0 0 389.308 4.439 50 30 GIEARN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000065530476 210996416 /nfs/dbraw/zinc/99/64/16/210996416.db2.gz YVDUGTBDCGFLMB-UHFFFAOYSA-N 0 0 378.448 4.278 50 30 GIEARN C=CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc(-c2ccccc2)cs1 ZINC000003558702 210782204 /nfs/dbraw/zinc/78/22/04/210782204.db2.gz ZOXUDANYCVUJLB-LJQANCHMSA-N 0 0 378.453 4.169 50 30 GIEARN CC(C)(C)c1cc(NC(=O)COc2ccccc2C#N)n(-c2ccc(F)cc2)n1 ZINC000032832907 210593818 /nfs/dbraw/zinc/59/38/18/210593818.db2.gz FKOVAVMCEHKBQF-UHFFFAOYSA-N 0 0 392.434 4.198 50 30 GIEARN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)C3CCC3)sc2C1 ZINC000039995058 210521991 /nfs/dbraw/zinc/52/19/91/210521991.db2.gz POCOGHQNDKSXQS-AWEZNQCLSA-N 0 0 388.533 4.443 50 30 GIEARN CCCCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)CCCC1=N2 ZINC000020327879 210328924 /nfs/dbraw/zinc/32/89/24/210328924.db2.gz HUVUGGVMMXWDGB-QGZVFWFLSA-N 0 0 399.476 4.101 50 30 GIEARN CCCOc1ccc(-c2nc(SC)nc(N3CCCC3)c2C#N)cc1OC ZINC000019820454 210299447 /nfs/dbraw/zinc/29/94/47/210299447.db2.gz CBSWLMAOUASUMO-UHFFFAOYSA-N 0 0 384.505 4.135 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000006001604 220911979 /nfs/dbraw/zinc/91/19/79/220911979.db2.gz RQEWVZFVNNIPTG-CQSZACIVSA-N 0 0 387.892 4.100 50 30 GIEARN COc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012390926 533225821 /nfs/dbraw/zinc/22/58/21/533225821.db2.gz JZHLIXPDBLLABF-PCANVONCSA-N 0 0 382.847 4.211 50 30 GIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000096346668 136186719 /nfs/dbraw/zinc/18/67/19/136186719.db2.gz VCFQBHMMOZGFNF-VQTJNVASSA-N 0 0 388.446 4.283 50 30 GIEARN C=C(Br)CNC(=O)COc1cc2sc(C)nc2c2sccc21 ZINC000058428634 518582524 /nfs/dbraw/zinc/58/25/24/518582524.db2.gz VCJWKQZEALQRFV-UHFFFAOYSA-N 0 0 397.319 4.223 50 30 GIEARN C=C(Br)CNC(=O)c1cccnc1Sc1ccc(C)cc1C ZINC000058418699 518582848 /nfs/dbraw/zinc/58/28/48/518582848.db2.gz TXOWXJSRJXKVNR-UHFFFAOYSA-N 0 0 377.307 4.488 50 30 GIEARN C=CCC(O)(CC=C)c1ccc(CN(CCOC)Cc2ccccc2OC)o1 ZINC000036167777 518688349 /nfs/dbraw/zinc/68/83/49/518688349.db2.gz FODJAQFYVBRMMP-UHFFFAOYSA-N 0 0 385.504 4.277 50 30 GIEARN C=CCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(CCCC)C1=O ZINC000017118160 518821955 /nfs/dbraw/zinc/82/19/55/518821955.db2.gz MTNJDMYVOKTMIJ-QBFSEMIESA-N 0 0 396.274 4.066 50 30 GIEARN C=CCNC(=O)CCc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000037547046 518885826 /nfs/dbraw/zinc/88/58/26/518885826.db2.gz HPUQCEQBVKSMEW-UHFFFAOYSA-N 0 0 397.425 4.486 50 30 GIEARN C=CCNC(=O)N(Cc1ccccn1)c1ccc(Oc2cccc(F)c2)nc1 ZINC000034898414 518903574 /nfs/dbraw/zinc/90/35/74/518903574.db2.gz UUDKIZBTXYGNHY-UHFFFAOYSA-N 0 0 378.407 4.310 50 30 GIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(OC)c3)cc2F)n1 ZINC000034713427 518946956 /nfs/dbraw/zinc/94/69/56/518946956.db2.gz VRUMVFBMUFYFQT-UHFFFAOYSA-N 0 0 398.459 4.453 50 30 GIEARN C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc(C)c(Cl)cc23)cs1 ZINC000005040237 518963081 /nfs/dbraw/zinc/96/30/81/518963081.db2.gz RWJIGPNFJHABBC-UHFFFAOYSA-N 0 0 390.848 4.166 50 30 GIEARN C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419698 518967773 /nfs/dbraw/zinc/96/77/73/518967773.db2.gz XPTXQBUEFPXVHN-UHFFFAOYSA-N 0 0 380.878 4.487 50 30 GIEARN C=CCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccc(F)cc1 ZINC000065331416 519005854 /nfs/dbraw/zinc/00/58/54/519005854.db2.gz XEBQADRORVJFNS-KRWDZBQOSA-N 0 0 393.418 4.059 50 30 GIEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096585529 519017390 /nfs/dbraw/zinc/01/73/90/519017390.db2.gz HXFADCOFNZUUOI-HEEFDWFXSA-N 0 0 391.467 4.400 50 30 GIEARN C=CCOc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1OC ZINC000017919038 519026704 /nfs/dbraw/zinc/02/67/04/519026704.db2.gz HYVGHGJGHSLEHQ-UHFFFAOYSA-N 0 0 379.378 4.251 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C)c1C ZINC000004790807 519170909 /nfs/dbraw/zinc/17/09/09/519170909.db2.gz HCPPDNBJWXQWHQ-UHFFFAOYSA-N 0 0 386.546 4.047 50 30 GIEARN C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000000997758 519188616 /nfs/dbraw/zinc/18/86/16/519188616.db2.gz VCHKCIQLVSLJOO-UHFFFAOYSA-N 0 0 394.500 4.082 50 30 GIEARN C=CCn1c(Cc2ccccc2)nnc1SCc1cc([N+](=O)[O-])ccc1OC ZINC000005065376 519192273 /nfs/dbraw/zinc/19/22/73/519192273.db2.gz BLCCVMNUFGZPFZ-UHFFFAOYSA-N 0 0 396.472 4.264 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2O)nnc1-c1cccc(C)c1 ZINC000009582901 519212218 /nfs/dbraw/zinc/21/22/18/519212218.db2.gz VMNGOKBCKUMLCH-UHFFFAOYSA-N 0 0 394.500 4.184 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cccc(C)c1 ZINC000001113454 519225839 /nfs/dbraw/zinc/22/58/39/519225839.db2.gz APDKWJIHVBYFKU-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001142233 519243087 /nfs/dbraw/zinc/24/30/87/519243087.db2.gz IYPFJLLXNNACOP-UHFFFAOYSA-N 0 0 377.429 4.203 50 30 GIEARN C=CCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)CCSc1ccccc1 ZINC000100875930 519262644 /nfs/dbraw/zinc/26/26/44/519262644.db2.gz KUVAWVWGMWHVAF-VXPUYCOJSA-N 0 0 399.497 4.407 50 30 GIEARN C=CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000017052852 519282346 /nfs/dbraw/zinc/28/23/46/519282346.db2.gz KMPSSPRMRKZSQA-UHFFFAOYSA-N 0 0 398.466 4.194 50 30 GIEARN C=CCn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000022710705 519284949 /nfs/dbraw/zinc/28/49/49/519284949.db2.gz ORQFWHBHZYOAOI-UHFFFAOYSA-N 0 0 382.514 4.346 50 30 GIEARN CC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1Cl ZINC000001127061 519366931 /nfs/dbraw/zinc/36/69/31/519366931.db2.gz GHJIMJZIGNHYKN-IBGZPJMESA-N 0 0 386.904 4.301 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F ZINC000102696687 519368535 /nfs/dbraw/zinc/36/85/35/519368535.db2.gz VWBAYPZVCVNMJW-VJBWXMMDSA-N 0 0 381.447 4.224 50 30 GIEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000253532781 519758120 /nfs/dbraw/zinc/75/81/20/519758120.db2.gz ARUYPSAYKHCXNE-CYSBGJSMSA-N 0 0 382.500 4.041 50 30 GIEARN CCCN1C/C(=C\c2ccc(OC)cc2)C(=O)/C(=C\c2ccc(OC)cc2)C1 ZINC000013590312 519841924 /nfs/dbraw/zinc/84/19/24/519841924.db2.gz KDXKAKJLQVZWKN-TVGQLCNQSA-N 0 0 377.484 4.466 50 30 GIEARN CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021721984 519877463 /nfs/dbraw/zinc/87/74/63/519877463.db2.gz UJJOOUBUPZWULD-QFIPXVFZSA-N 0 0 395.528 4.255 50 30 GIEARN CCCCC(NCCc1c(C)[nH]c2ccc(OC)cc21)=C1C(=O)CCCC1=O ZINC000100140087 519916488 /nfs/dbraw/zinc/91/64/88/519916488.db2.gz YIYQERWTTVEAES-UHFFFAOYSA-N 0 0 382.504 4.383 50 30 GIEARN CCCCCCCNC(=O)/C(=C\c1ccc(OCC)cc1)n1ccccc1=O ZINC000059211781 520050911 /nfs/dbraw/zinc/05/09/11/520050911.db2.gz LYAPRJKSSCLKIR-DYTRJAOYSA-N 0 0 382.504 4.332 50 30 GIEARN CCCCCCCNC(=O)[C@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O ZINC000098045175 520053698 /nfs/dbraw/zinc/05/36/98/520053698.db2.gz RZCPAQIKRUJDPX-IBGZPJMESA-N 0 0 388.895 4.012 50 30 GIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc3ccccc3c2)C1=O ZINC000101662394 520067959 /nfs/dbraw/zinc/06/79/59/520067959.db2.gz MHIWZRXIAZCFPK-QHCPKHFHSA-N 0 0 395.503 4.449 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C\c2ccccc2OC)c1=O ZINC000097474802 520278568 /nfs/dbraw/zinc/27/85/68/520278568.db2.gz LOUZRQHELRVYBC-FLIBITNWSA-N 0 0 388.261 4.146 50 30 GIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)ccc1OC)O2 ZINC000020611094 520416403 /nfs/dbraw/zinc/41/64/03/520416403.db2.gz UTCVMWVGPIYCTH-BKUYFWCQSA-N 0 0 397.471 4.258 50 30 GIEARN CCOc1ccc(Br)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775212 520862769 /nfs/dbraw/zinc/86/27/69/520862769.db2.gz OBVCCPZRXGXRAW-UHFFFAOYSA-N 0 0 396.329 4.005 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004626402 521027799 /nfs/dbraw/zinc/02/77/99/521027799.db2.gz TYGSOACVXFGKEH-QRWLVFNGSA-N 0 0 389.492 4.205 50 30 GIEARN CC1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310169 521049360 /nfs/dbraw/zinc/04/93/60/521049360.db2.gz QZNLMHPQHOSZFJ-SFHVURJKSA-N 0 0 392.503 4.349 50 30 aggregator GIEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1cccc(OC)c1 ZINC000001440879 521089438 /nfs/dbraw/zinc/08/94/38/521089438.db2.gz PQSYMEZHCDDXSL-UWJYYQICSA-N 0 0 383.419 4.066 50 30 GIEARN CCCCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3OC)NC2=O)cc1 ZINC000007262063 521275055 /nfs/dbraw/zinc/27/50/55/521275055.db2.gz QPFWTXYQTKFDRT-VRMLFSPKSA-N 0 0 395.528 4.202 50 30 GIEARN CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=[NH+]Cc1ccccc1 ZINC000017077362 521324292 /nfs/dbraw/zinc/32/42/92/521324292.db2.gz NQDBKUKPTPBHOK-JCMHNJIXSA-N 0 0 378.432 4.036 50 30 GIEARN CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SC)nn21 ZINC000009597517 521590668 /nfs/dbraw/zinc/59/06/68/521590668.db2.gz BPKNDGXDYOZTQL-KRWDZBQOSA-N 0 0 384.505 4.057 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccsc1 ZINC000002754507 521709508 /nfs/dbraw/zinc/70/95/08/521709508.db2.gz XYOJOPIZDZSDRO-QGZVFWFLSA-N 0 0 377.531 4.012 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 ZINC000002776274 521709691 /nfs/dbraw/zinc/70/96/91/521709691.db2.gz BZCSQDFFNCHEFE-LJQANCHMSA-N 0 0 389.492 4.090 50 30 GIEARN COC(=O)c1ccc(NC(=Nc2ccc(C)c(C)c2)n2sc(C)cc2=N)cc1 ZINC000020394448 521939640 /nfs/dbraw/zinc/93/96/40/521939640.db2.gz DUVPNQDOYCHZBY-UHFFFAOYSA-N 0 0 394.500 4.389 50 30 GIEARN COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OCC#N ZINC000007061914 521967104 /nfs/dbraw/zinc/96/71/04/521967104.db2.gz YFTPRCMAZZFLDR-UNOMPAQXSA-N 0 0 384.391 4.095 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC(C)C ZINC000050647665 521982392 /nfs/dbraw/zinc/98/23/92/521982392.db2.gz YQXLCRMTAIRPML-DAXSKMNVSA-N 0 0 386.835 4.202 50 30 GIEARN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O ZINC000031902293 522008465 /nfs/dbraw/zinc/00/84/65/522008465.db2.gz NOPSQMHJHUYRKN-NHDPSOOVSA-N 0 0 396.472 4.237 50 30 GIEARN COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1cccc(F)c1 ZINC000004060330 522399362 /nfs/dbraw/zinc/39/93/62/522399362.db2.gz VYSUHTCUBVUORP-SSDVNMTOSA-N 0 0 387.798 4.002 50 30 GIEARN COc1cc(OC)c(C(=O)/C=C/c2cc(Br)ccc2O)c(OC)c1 ZINC000004252504 522786709 /nfs/dbraw/zinc/78/67/09/522786709.db2.gz BHAFIADAKPBPQC-GQCTYLIASA-N 0 0 393.233 4.077 50 30 GIEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc(OC(F)F)c(OC)c1 ZINC000096759015 522819957 /nfs/dbraw/zinc/81/99/57/522819957.db2.gz VBSNCXWNNYNAQW-ALCCZGGFSA-N 0 0 394.370 4.219 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C ZINC000022611857 522877521 /nfs/dbraw/zinc/87/75/21/522877521.db2.gz FCKIBCKRQPKTMY-FQEVSTJZSA-N 0 0 383.488 4.251 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019798646 522883627 /nfs/dbraw/zinc/88/36/27/522883627.db2.gz SVGAPJSSFZVHQU-VGOFRKELSA-N 0 0 391.442 4.360 50 30 GIEARN CC[C@@H](Oc1ccccc1)C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004986234 523056222 /nfs/dbraw/zinc/05/62/22/523056222.db2.gz VRPPBCLHGKQACG-MRXNPFEDSA-N 0 0 381.259 4.209 50 30 GIEARN COc1ccc(-c2nnc(S[C@H](C#N)Cc3ccc(C)cc3)o2)c(OC)c1 ZINC000007170358 523264854 /nfs/dbraw/zinc/26/48/54/523264854.db2.gz XSHNMDSTDJSUAM-INIZCTEOSA-N 0 0 381.457 4.289 50 30 GIEARN COc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1OCc1ccccc1 ZINC000003307906 523442096 /nfs/dbraw/zinc/44/20/96/523442096.db2.gz MVTPAOZCUAJINF-HZHRSRAPSA-N 0 0 397.544 4.405 50 30 GIEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000239175839 523885868 /nfs/dbraw/zinc/88/58/68/523885868.db2.gz QSGCVHRZRGYWON-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN COc1cccc2c1ccn2CCC(=O)Nc1n[nH]c(-c2ccccc2OC)n1 ZINC000095472111 524251788 /nfs/dbraw/zinc/25/17/88/524251788.db2.gz AQFYFYMZSVFHHR-UHFFFAOYSA-N 0 0 391.431 4.122 50 30 GIEARN Cc1ccc(CN2CCN(/C=C/C(=O)c3ccc(OC(F)F)cc3)CC2)cc1 ZINC000020028610 524452795 /nfs/dbraw/zinc/45/27/95/524452795.db2.gz WHMFKZHKSPFCSN-ZHACJKMWSA-N 0 0 386.442 4.111 50 30 GIEARN C[C@H]1Cc2ccccc2N1/C(=N/S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000012560902 524984998 /nfs/dbraw/zinc/98/49/98/524984998.db2.gz BHHBSPLRKGEGTF-FFLLYBNDSA-N 0 0 394.471 4.412 50 30 GIEARN C[C@@H](NC(=O)CSC(=NC#N)Nc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000013942149 525122508 /nfs/dbraw/zinc/12/25/08/525122508.db2.gz VMWFGIYEFFZTRH-NOCBQHASSA-N 0 0 396.560 4.390 50 30 GIEARN COc1cccc(/C=C2/CN(CC3CC3)C/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000096314576 525765651 /nfs/dbraw/zinc/76/56/51/525765651.db2.gz JIIWCYKJWSVMRR-IINORCHSSA-N 0 0 389.495 4.466 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1 ZINC000102863647 525943906 /nfs/dbraw/zinc/94/39/06/525943906.db2.gz NCKGBBXQPYFKOY-JBCNATCCSA-N 0 0 384.435 4.012 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 ZINC000013003353 526026568 /nfs/dbraw/zinc/02/65/68/526026568.db2.gz NIAYDHBRRJWJLR-FQEVSTJZSA-N 0 0 389.407 4.072 50 30 GIEARN C[C@@H](C#N)NC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccc3c(c1)OCO3)CC2 ZINC000225525391 526238929 /nfs/dbraw/zinc/23/89/29/526238929.db2.gz WOANPQGFUVMQGF-FBKCMUNRSA-N 0 0 397.434 4.092 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(F)cc1 ZINC000018009724 526269357 /nfs/dbraw/zinc/26/93/57/526269357.db2.gz ANGAKNILFPJQAN-IBGZPJMESA-N 0 0 377.371 4.197 50 30 GIEARN Cc1nc(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)sc1C ZINC000013730071 526770316 /nfs/dbraw/zinc/77/03/16/526770316.db2.gz SYBZXUUCCJTQKC-UHFFFAOYSA-N 0 0 377.469 4.269 50 30 GIEARN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)sc1C ZINC000102883251 526960675 /nfs/dbraw/zinc/96/06/75/526960675.db2.gz LXJOCHOZQHNLRJ-SELCWUDQSA-N 0 0 390.464 4.386 50 30 GIEARN Clc1ccccc1CN1CCN(/N=C/c2ccccc2Br)CC1 ZINC000019790557 526987121 /nfs/dbraw/zinc/98/71/21/526987121.db2.gz FLTQNBFKEVWGHR-FYJGNVAPSA-N 0 0 392.728 4.254 50 30 GIEARN Cn1cc(/C=C2\C[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](CC[C@@H]5O)[C@H]4CC[C@H]3CC2=O)cn1 ZINC000253505406 527144967 /nfs/dbraw/zinc/14/49/67/527144967.db2.gz MEBTWHFCEXALJM-YEVZPTBWSA-N 0 0 382.548 4.386 50 30 GIEARN Cn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)c2ccccc21 ZINC000028182423 527144985 /nfs/dbraw/zinc/14/49/85/527144985.db2.gz KEZUVMYJHOLRSK-XKZIYDEJSA-N 0 0 388.467 4.486 50 30 GIEARN C=CCn1c(C)cc(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C ZINC000032910480 527297902 /nfs/dbraw/zinc/29/79/02/527297902.db2.gz OMKIDUIXYXSXJY-UHFFFAOYSA-N 0 0 381.428 4.394 50 30 GIEARN Cc1nn(-c2ccc(F)cc2)cc1/C=C\C(=O)c1ccc(N2CCOCC2)cc1 ZINC000033470122 527530308 /nfs/dbraw/zinc/53/03/08/527530308.db2.gz FJJVLBYJIKBXFP-WCIBSUBMSA-N 0 0 391.446 4.053 50 30 GIEARN C=CCN(C(=O)c1ccc2nc(C)c(C)nc2c1)c1nc2c(s1)CCCC2 ZINC000039980509 527550698 /nfs/dbraw/zinc/55/06/98/527550698.db2.gz AVHTZZPOAZKHLC-UHFFFAOYSA-N 0 0 378.501 4.415 50 30 GIEARN O=C(Nc1nnc(Cc2ccccc2)s1)[C@H]1CCCN1Cc1ccccc1 ZINC000048362474 527585675 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COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000095519496 536574570 /nfs/dbraw/zinc/57/45/70/536574570.db2.gz QACHFTSFBWVBTM-HNNXBMFYSA-N 0 0 398.894 4.251 50 30 GIEARN O=C(N=C(NCc1ccccn1)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000046126877 570210246 /nfs/dbraw/zinc/21/02/46/570210246.db2.gz ZEXHBUJEYSZZQF-UHFFFAOYSA-N 0 0 398.388 4.499 50 30 GIEARN COc1ccc(C)cc1NC(=NC(=O)c1cccc(C)c1)NCc1ccccn1 ZINC000046126524 570210252 /nfs/dbraw/zinc/21/02/52/570210252.db2.gz WHSNBGUCICWBGX-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CCc1ccccc1NC(=NC(=O)c1cccc(OC)c1)NCc1cccnc1 ZINC000046127932 570210467 /nfs/dbraw/zinc/21/04/67/570210467.db2.gz AFRYBVYCHZONRT-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2C)cc1 ZINC000046130071 570211300 /nfs/dbraw/zinc/21/13/00/570211300.db2.gz RBGXEIVMJWDUEB-HXUWFJFHSA-N 0 0 379.504 4.243 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(CC)c2)cc1 ZINC000046130827 570211685 /nfs/dbraw/zinc/21/16/85/570211685.db2.gz UNMPWILVNGYNRP-NRFANRHFSA-N 0 0 395.503 4.025 50 30 GIEARN N#Cc1ccc(Oc2ccc(NC(=O)N3CCC(n4ccnc4)CC3)cc2)cc1 ZINC000111740216 570220069 /nfs/dbraw/zinc/22/00/69/570220069.db2.gz SHEGWTNUQDHFEU-UHFFFAOYSA-N 0 0 387.443 4.416 50 30 GIEARN C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000012595352 570237522 /nfs/dbraw/zinc/23/75/22/570237522.db2.gz TXBPZBDGZYVVPS-LJQANCHMSA-N 0 0 389.455 4.391 50 30 GIEARN CCC[C@@H]1S/C(=N\N=C\c2cccs2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366945 570238873 /nfs/dbraw/zinc/23/88/73/570238873.db2.gz KVHDHLDKXPQPLZ-BUDGLOEYSA-N 0 0 387.530 4.391 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1 ZINC000002454156 570253037 /nfs/dbraw/zinc/25/30/37/570253037.db2.gz AZBRVGLYMARRJJ-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1 ZINC000001510756 570254172 /nfs/dbraw/zinc/25/41/72/570254172.db2.gz ZGHXISUFJDKLHR-PXLXIMEGSA-N 0 0 377.400 4.442 50 30 GIEARN CCN(CC)c1ccc(/C=N/N=C2/SCC(=O)N2c2ccc(C)cc2)cc1 ZINC000001183658 570256193 /nfs/dbraw/zinc/25/61/93/570256193.db2.gz RKFUISVCACQXOW-ROAQJCPQSA-N 0 0 380.517 4.311 50 30 GIEARN O=C(N/C(=N/c1ccccc1)NCCc1c[nH]c2ccccc12)c1cccs1 ZINC000032943100 570261146 /nfs/dbraw/zinc/26/11/46/570261146.db2.gz BUDOBEKASRZHQN-UHFFFAOYSA-N 0 0 388.496 4.479 50 30 GIEARN CCOC(=O)CCCC[C@@H]1CCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104276702 570272604 /nfs/dbraw/zinc/27/26/04/570272604.db2.gz RVNZRRRSHCXQSL-YSYRGXBVSA-N 0 0 392.412 4.195 50 30 GIEARN COc1cc(C#N)cc(I)c1OCc1ccccc1C ZINC000004826837 570283856 /nfs/dbraw/zinc/28/38/56/570283856.db2.gz QCTQDKRHLYSJST-UHFFFAOYSA-N 0 0 379.197 4.059 50 30 GIEARN C=CCN(Cc1ccc(Cl)s1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000024441083 570302020 /nfs/dbraw/zinc/30/20/20/570302020.db2.gz CYCDXTRIZOSDNU-KBPBESRZSA-N 0 0 395.956 4.094 50 30 GIEARN N#Cc1ccc(CN2CCN(C(=O)c3ccccc3Cc3ccccc3)CC2)cc1 ZINC000023437778 570323650 /nfs/dbraw/zinc/32/36/50/570323650.db2.gz TUDDEHLVRJYLAT-UHFFFAOYSA-N 0 0 395.506 4.107 50 30 GIEARN CCCCO/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000003076233 570327583 /nfs/dbraw/zinc/32/75/83/570327583.db2.gz ROIURROFJBXNOC-ZPHPHTNESA-N 0 0 396.306 4.401 50 30 GIEARN CN1C(=O)N(c2ccc(Cl)cc2)[C@@H](O/N=C(/C#N)c2ccccc2)C1(C)C ZINC000003172679 570328402 /nfs/dbraw/zinc/32/84/02/570328402.db2.gz NDPQOINCKONLJE-ZVTCDHROSA-N 0 0 382.851 4.261 50 30 GIEARN C=CCNC(=O)N(Cc1ccccn1)c1ccc(Oc2ccccc2F)nc1 ZINC000034898417 570343261 /nfs/dbraw/zinc/34/32/61/570343261.db2.gz MCRGUDHSZUNSAC-UHFFFAOYSA-N 0 0 378.407 4.310 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918925 570366161 /nfs/dbraw/zinc/36/61/61/570366161.db2.gz HDZYEWCYSPHZKN-BEFAXECRSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)c1c(C)c(C#N)c(/N=C/N(C)C)n1-c1ccc(Cl)cc1Cl ZINC000004300709 570366479 /nfs/dbraw/zinc/36/64/79/570366479.db2.gz SXWOXYBEMRNWEO-LSHDLFTRSA-N 0 0 393.274 4.362 50 30 GIEARN O=C1C[C@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000004385547 570372733 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GIEARN Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000004999315 570390176 /nfs/dbraw/zinc/39/01/76/570390176.db2.gz ZOLJAWKPYYGYIS-UHFFFAOYSA-N 0 0 394.438 4.070 50 30 GIEARN CCOC(=S)N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000004693006 570393961 /nfs/dbraw/zinc/39/39/61/570393961.db2.gz IBWLEBDXCJVYDK-UHFFFAOYSA-N 0 0 396.921 4.106 50 30 GIEARN C=CCCC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067434330 570394380 /nfs/dbraw/zinc/39/43/80/570394380.db2.gz DCQIWDCFZJQOEV-UHFFFAOYSA-N 0 0 380.469 4.356 50 30 GIEARN N#Cc1ccsc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000006351009 570397825 /nfs/dbraw/zinc/39/78/25/570397825.db2.gz GBDRRXLKMJFFDZ-UHFFFAOYSA-N 0 0 378.409 4.208 50 30 GIEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccccc2s1 ZINC000005035006 570403563 /nfs/dbraw/zinc/40/35/63/570403563.db2.gz FPEOCCFTKQSHAK-UHFFFAOYSA-N 0 0 375.500 4.281 50 30 GIEARN O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000004814157 570407724 /nfs/dbraw/zinc/40/77/24/570407724.db2.gz AEEFYCQCQQMPBH-YWZLYKJASA-N 0 0 376.847 4.347 50 30 GIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@@H](c3cccs3)C12 ZINC000004866580 570413652 /nfs/dbraw/zinc/41/36/52/570413652.db2.gz ZJIBDAMRTPNERW-XIKOKIGWSA-N 0 0 382.876 4.409 50 30 GIEARN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(Cl)c2Cl)cc1 ZINC000239030701 570428048 /nfs/dbraw/zinc/42/80/48/570428048.db2.gz CIDAKVVBHFQRLI-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN CC(=O)/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000005457907 570440436 /nfs/dbraw/zinc/44/04/36/570440436.db2.gz GGUYJKLVHMBDRN-AUWJEWJLSA-N 0 0 381.240 4.360 50 30 GIEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCC)cc1 ZINC000011913843 570446837 /nfs/dbraw/zinc/44/68/37/570446837.db2.gz MJJZTWNQOFGNRP-FQEVSTJZSA-N 0 0 375.424 4.231 50 30 GIEARN Clc1ccc(CSc2nncn2/N=C/c2ccc(Br)o2)cc1 ZINC000001917941 570448354 /nfs/dbraw/zinc/44/83/54/570448354.db2.gz ATXVBUVXZWDLRM-CNHKJKLMSA-N 0 0 397.685 4.462 50 30 GIEARN O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(F)c(Br)c1 ZINC000005785675 570456448 /nfs/dbraw/zinc/45/64/48/570456448.db2.gz MFERTLOLOOFWNG-ZROIWOOFSA-N 0 0 377.238 4.480 50 30 GIEARN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(SCc2csc(C)n2)cc1 ZINC000225495472 570456846 /nfs/dbraw/zinc/45/68/46/570456846.db2.gz AAASQGZXSCFKMN-VQIMIIECSA-N 0 0 388.558 4.455 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000006002154 570464047 /nfs/dbraw/zinc/46/40/47/570464047.db2.gz RQEWVZFVNNIPTG-AWEZNQCLSA-N 0 0 387.892 4.100 50 30 GIEARN Cc1ccc(COc2cccc(C=NNS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000252637367 570479831 /nfs/dbraw/zinc/47/98/31/570479831.db2.gz XSJZEHKLALGTQD-UHFFFAOYSA-N 0 0 394.496 4.195 50 30 GIEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)cc1 ZINC000006677837 570487669 /nfs/dbraw/zinc/48/76/69/570487669.db2.gz NMNWZWOOKGSONK-GOSISDBHSA-N 0 0 398.532 4.447 50 30 GIEARN COc1cc(C(=O)Nc2sc3c(c2C#N)C[C@H](C)CC3)cc(OC)c1OC ZINC000005175268 570493462 /nfs/dbraw/zinc/49/34/62/570493462.db2.gz MRCXESQHSDPAHK-LLVKDONJSA-N 0 0 386.473 4.023 50 30 GIEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(Cl)cc1 ZINC000027023789 570495682 /nfs/dbraw/zinc/49/56/82/570495682.db2.gz SUWWOZXEORMFSK-UHFFFAOYSA-N 0 0 387.863 4.033 50 30 GIEARN C[C@H](NC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)c1cccc(C#N)c1 ZINC000072304541 570515613 /nfs/dbraw/zinc/51/56/13/570515613.db2.gz PFMUJRUQMJBOQL-HNNXBMFYSA-N 0 0 399.479 4.358 50 30 GIEARN Cn1c(CCc2ccc(NC(=O)c3ccc(C#N)cc3)cc2)nc2ccccc21 ZINC000032960805 570531401 /nfs/dbraw/zinc/53/14/01/570531401.db2.gz XFJHSBLSWQPBKD-UHFFFAOYSA-N 0 0 380.451 4.482 50 30 GIEARN COc1ccc(Br)cc1/C=C1/S/C(=N/c2ccccc2)NC1=O ZINC000006713507 570547166 /nfs/dbraw/zinc/54/71/66/570547166.db2.gz DGAVRDSZCQPSHP-XNTDXEJSSA-N 0 0 389.274 4.349 50 30 GIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@H]1CC=CCC1 ZINC000009482716 570558857 /nfs/dbraw/zinc/55/88/57/570558857.db2.gz OSIKFLRVCQWUGW-QMHKHESXSA-N 0 0 394.515 4.460 50 30 GIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@H]1CC=CCC1 ZINC000009482714 570559045 /nfs/dbraw/zinc/55/90/45/570559045.db2.gz OSIKFLRVCQWUGW-HJPURHCSSA-N 0 0 394.515 4.460 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000006813077 570617161 /nfs/dbraw/zinc/61/71/61/570617161.db2.gz NIAYDHBRRJWJLR-HXUWFJFHSA-N 0 0 389.407 4.072 50 30 GIEARN COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccccc3)c2C#N)c1 ZINC000005509614 570618598 /nfs/dbraw/zinc/61/85/98/570618598.db2.gz JOVGEVXJJHUVIE-UHFFFAOYSA-N 0 0 378.457 4.498 50 30 GIEARN Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000006827510 570626044 /nfs/dbraw/zinc/62/60/44/570626044.db2.gz SJOJTIBJUSOISZ-AATRIKPKSA-N 0 0 387.779 4.050 50 30 GIEARN CCOc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@@H]2c2ccc(C)cc2)cc1 ZINC000012390969 570643473 /nfs/dbraw/zinc/64/34/73/570643473.db2.gz OQSLCVUILMAUEW-UBLKFNIESA-N 0 0 376.456 4.256 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000005079442 570656767 /nfs/dbraw/zinc/65/67/67/570656767.db2.gz UFHSVXMPQLRCSW-RZXPCSSPSA-N 0 0 385.847 4.488 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1cccc(F)c1)CN(Cc1ccccn1)CO3 ZINC000012442671 570677594 /nfs/dbraw/zinc/67/75/94/570677594.db2.gz PWBQTBWODDJPCZ-NHDPSOOVSA-N 0 0 388.398 4.189 50 30 GIEARN COc1cccc(-n2cc(C(=O)Nc3ccccc3C#N)c3ccccc3c2=O)c1 ZINC000006892613 570690816 /nfs/dbraw/zinc/69/08/16/570690816.db2.gz VEBNXNZLIYUDMY-UHFFFAOYSA-N 0 0 395.418 4.123 50 30 GIEARN C=CCn1c2ccccc2nc1SCC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000012628647 570692418 /nfs/dbraw/zinc/69/24/18/570692418.db2.gz IALWDYKMGOIMQS-UHFFFAOYSA-N 0 0 394.475 4.400 50 30 GIEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000065098345 570696614 /nfs/dbraw/zinc/69/66/14/570696614.db2.gz KOYQMHIOFQTMSD-UHFFFAOYSA-N 0 0 389.436 4.080 50 30 GIEARN c1ccc(Nc2nc(N=NCc3cccnc3)nc(Nc3ccccc3)n2)cc1 ZINC000004358693 570698640 /nfs/dbraw/zinc/69/86/40/570698640.db2.gz RTHILYFEIRNUJI-HZHRSRAPSA-N 0 0 382.431 4.200 50 30 GIEARN CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCC#N ZINC000210974083 570723816 /nfs/dbraw/zinc/72/38/16/570723816.db2.gz LDILWQXGJLSRBW-QGOAFFKASA-N 0 0 379.441 4.070 50 30 GIEARN COc1cc(/C=N/n2cnnc2)ccc1OCc1c(Cl)cccc1Cl ZINC000000948154 570735115 /nfs/dbraw/zinc/73/51/15/570735115.db2.gz RUFCLKQETKLGHG-GZIVZEMBSA-N 0 0 377.231 4.055 50 30 GIEARN CC(C)(C)N1C(=O)[C@@H](c2ccccc2)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 ZINC000063603823 570750414 /nfs/dbraw/zinc/75/04/14/570750414.db2.gz KUSXMUZUXWDLOW-OQVUGJAGSA-N 0 0 396.472 4.400 50 30 GIEARN CCOc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCC4)nc2c1 ZINC000005667633 570750606 /nfs/dbraw/zinc/75/06/06/570750606.db2.gz SBOPRJPORMGMGN-UHFFFAOYSA-N 0 0 398.513 4.114 50 30 GIEARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)Nc3ccccc3C#N)c12 ZINC000036616258 570752031 /nfs/dbraw/zinc/75/20/31/570752031.db2.gz LVXNOJFZXGHJPA-UHFFFAOYSA-N 0 0 381.439 4.220 50 30 GIEARN CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000257358683 570786091 /nfs/dbraw/zinc/78/60/91/570786091.db2.gz VUBSNEZHSXMUCR-ZRMLVRLBSA-N 0 0 386.532 4.225 50 30 GIEARN COC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c(C#N)c1C ZINC000004454694 570789434 /nfs/dbraw/zinc/78/94/34/570789434.db2.gz MZNMNRZRRPCTPW-UHFFFAOYSA-N 0 0 392.864 4.003 50 30 GIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005868803 570799337 /nfs/dbraw/zinc/79/93/37/570799337.db2.gz HWVJNEOLJAEDCX-MRXNPFEDSA-N 0 0 381.501 4.227 50 30 GIEARN O=C(O/N=C(\c1ccccc1)c1ccncc1)c1ccc(Br)cc1 ZINC000005869770 570799420 /nfs/dbraw/zinc/79/94/20/570799420.db2.gz RUKLOBYASUCINF-RELWKKBWSA-N 0 0 381.229 4.454 50 30 GIEARN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 ZINC000004485644 570806375 /nfs/dbraw/zinc/80/63/75/570806375.db2.gz XUAOIRQPHHHSHK-CYBMUJFWSA-N 0 0 381.457 4.070 50 30 GIEARN CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000101152709 570814518 /nfs/dbraw/zinc/81/45/18/570814518.db2.gz PVPLRUMKDASFJZ-FSEPTYSPSA-N 0 0 399.830 4.006 50 30 GIEARN CC(=O)Nc1ccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 ZINC000006022544 570814763 /nfs/dbraw/zinc/81/47/63/570814763.db2.gz HIQAAIARDRJNQW-QPJJXVBHSA-N 0 0 388.217 4.032 50 30 GIEARN COc1cc(C=Nc2nc[nH]n2)ccc1OCCOc1cc(C)ccc1C(C)C ZINC000004511818 570825679 /nfs/dbraw/zinc/82/56/79/570825679.db2.gz PSKUTASNEPMEGV-YDZHTSKRSA-N 0 0 394.475 4.454 50 30 GIEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccc(Cl)c2)cc1 ZINC000004510916 570827798 /nfs/dbraw/zinc/82/77/98/570827798.db2.gz DKOPUTYSDFFDBY-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN CC(=O)C1=C(c2ccc(C3CCCCC3)cc2)N(C(C)=O)n2c(C)nnc2S1 ZINC000004518320 570834849 /nfs/dbraw/zinc/83/48/49/570834849.db2.gz HJJHAJPPONQNDA-UHFFFAOYSA-N 0 0 396.516 4.182 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007394150 570837063 /nfs/dbraw/zinc/83/70/63/570837063.db2.gz GMADHBWLZBWCOP-UHFFFAOYSA-N 0 0 386.407 4.081 50 30 GIEARN N#CCCn1cc(CNc2ccn(Cc3ccccc3)n2)c(-c2ccccc2)n1 ZINC000151403159 570837262 /nfs/dbraw/zinc/83/72/62/570837262.db2.gz FIYKEJLOJHNOQH-UHFFFAOYSA-N 0 0 382.471 4.321 50 30 GIEARN CSc1ccc(/C=N/N(C)CCN(C)/N=C/c2ccc(SC)cc2)cc1 ZINC000004691512 570840220 /nfs/dbraw/zinc/84/02/20/570840220.db2.gz JZHBJWZSMROKTM-YHARCJFQSA-N 0 0 386.590 4.362 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1cccc(C)c1 ZINC000170615233 570873877 /nfs/dbraw/zinc/87/38/77/570873877.db2.gz IBJWFGBPTCFLQP-GGAORHGYSA-N 0 0 394.467 4.332 50 30 GIEARN O=[N+]([O-])c1cccc(/C=N/[C@H]2CCCC[C@H]2/N=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000012582483 570879024 /nfs/dbraw/zinc/87/90/24/570879024.db2.gz BUVWLXJOISQWFF-UYRZCXQTSA-N 0 0 380.404 4.352 50 30 GIEARN O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 ZINC000015228998 570886117 /nfs/dbraw/zinc/88/61/17/570886117.db2.gz ZEEGTNRNUDHXSM-PXLXIMEGSA-N 0 0 377.400 4.442 50 30 GIEARN CCOc1ccc(NC=C(C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 ZINC000103655370 570887626 /nfs/dbraw/zinc/88/76/26/570887626.db2.gz JOFQHSJPAUNFHZ-SFQUDFHCSA-N 0 0 393.361 4.404 50 30 GIEARN CC(=NOC(=O)Nc1ccc(I)cc1)c1ccccc1 ZINC000004409448 570890402 /nfs/dbraw/zinc/89/04/02/570890402.db2.gz WLCLBYWVAURBLN-WQRHYEAKSA-N 0 0 380.185 4.264 50 30 GIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccccc2)cc1 ZINC000016737370 570932284 /nfs/dbraw/zinc/93/22/84/570932284.db2.gz LIPQONRABLNMNY-HXUWFJFHSA-N 0 0 375.424 4.016 50 30 GIEARN Cc1nn(-c2ccccc2)c(CSc2n[nH]c(-c3cccs3)n2)c1C#N ZINC000027212472 570965691 /nfs/dbraw/zinc/96/56/91/570965691.db2.gz OSRDIECJHBXJDW-UHFFFAOYSA-N 0 0 378.486 4.191 50 30 GIEARN Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2)c1 ZINC000044858721 570978138 /nfs/dbraw/zinc/97/81/38/570978138.db2.gz PZWUTKZEFGYODI-JOCHJYFZSA-N 0 0 398.466 4.466 50 30 GIEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000084001867 570990389 /nfs/dbraw/zinc/99/03/89/570990389.db2.gz CFMKXUUFCOZBSA-OLZOCXBDSA-N 0 0 399.482 4.490 50 30 GIEARN COc1ccccc1Nc1ncc(CN2CCc3c(cnc(C)c3C#N)C2)s1 ZINC000023251710 570996776 /nfs/dbraw/zinc/99/67/76/570996776.db2.gz OUFYZGUMZHKNRT-UHFFFAOYSA-N 0 0 391.500 4.029 50 30 GIEARN COc1cccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2ccncc2)c1 ZINC000045939589 571000936 /nfs/dbraw/zinc/00/09/36/571000936.db2.gz LFTFKAPUJOPRAV-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CN(C)N1C(=O)C[C@H](c2ccccc2F)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001430554 571002582 /nfs/dbraw/zinc/00/25/82/571002582.db2.gz JIKXBJZHSLCNTP-FUHWJXTLSA-N 0 0 378.447 4.019 50 30 GIEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl ZINC000007641873 571009944 /nfs/dbraw/zinc/00/99/44/571009944.db2.gz YRPHHKVQBRWNJP-WMZOPIPTSA-N 0 0 385.920 4.461 50 30 GIEARN Oc1ccccc1CN=Nc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000252614895 571017978 /nfs/dbraw/zinc/01/79/78/571017978.db2.gz JMWJUEZRVSYARP-UHFFFAOYSA-N 0 0 394.438 4.179 50 30 GIEARN Cc1ccc(S(=O)(=O)[C@@]2(C#N)Cc3ccccc3N(C)C23CCCCC3)cc1 ZINC000007778756 571036694 /nfs/dbraw/zinc/03/66/94/571036694.db2.gz AZGXYCPUXGIPBL-HSZRJFAPSA-N 0 0 394.540 4.427 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000012784617 571037952 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C=CCc1ccc(OCC(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)c(OC)c1 ZINC000018239682 519136079 /nfs/dbraw/zinc/13/60/79/519136079.db2.gz CIBAQDAASNFCPL-GXDHUFHOSA-N 0 0 395.455 4.018 50 30 GIEARN C=CCc1cccc(C=N[C@H]2C(=S)NN=C2c2cccc(OC(C)C)c2)c1O ZINC000102285656 519141091 /nfs/dbraw/zinc/14/10/91/519141091.db2.gz SQODMDVMQXCWCY-VMHRPQTGSA-N 0 0 393.512 4.442 50 30 GIEARN C=CCn1c(CN(C)Cc2cccc(C)n2)nnc1SCc1cccc(F)c1 ZINC000014995761 519179333 /nfs/dbraw/zinc/17/93/33/519179333.db2.gz LWVXKDVEBNXWPE-UHFFFAOYSA-N 0 0 397.523 4.231 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccc(C)cc1 ZINC000003286459 519217900 /nfs/dbraw/zinc/21/79/00/519217900.db2.gz UWTGKCOXRBUPCM-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cccs1 ZINC000006317553 519218106 /nfs/dbraw/zinc/21/81/06/519218106.db2.gz UTDRRQYMSZVJOE-UHFFFAOYSA-N 0 0 392.456 4.202 50 30 GIEARN C=CCn1c(SCC(=O)c2cccc(OC)c2)nnc1-c1cccc(OC)c1 ZINC000009614992 519233091 /nfs/dbraw/zinc/23/30/91/519233091.db2.gz 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519262905 /nfs/dbraw/zinc/26/29/05/519262905.db2.gz UGETWNPJSJXZBE-VXPUYCOJSA-N 0 0 379.397 4.284 50 30 GIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(C(=O)OC)cc3)c12 ZINC000005090952 519267603 /nfs/dbraw/zinc/26/76/03/519267603.db2.gz GZEQCYOXPWXLIK-KAMYIIQDSA-N 0 0 399.450 4.466 50 30 GIEARN CC#CCN(Cc1ccco1)Cc1nc(-c2cccc(OC)c2OC)oc1C ZINC000020387755 519337484 /nfs/dbraw/zinc/33/74/84/519337484.db2.gz XFJWAAWEVMUSBE-UHFFFAOYSA-N 0 0 380.444 4.286 50 30 GIEARN CC(=O)N(c1nc(/C=C2/COc3ccccc3C2=O)cs1)c1ccccc1 ZINC000096767429 519474974 /nfs/dbraw/zinc/47/49/74/519474974.db2.gz UAFAETBDDRLCGO-PTNGSMBKSA-N 0 0 376.437 4.486 50 30 GIEARN CC(C)C(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 ZINC000015406253 519520606 /nfs/dbraw/zinc/52/06/06/519520606.db2.gz XIDQPAKMLKTGOC-QURGRASLSA-N 0 0 380.517 4.220 50 30 GIEARN CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000002620071 519732061 /nfs/dbraw/zinc/73/20/61/519732061.db2.gz DPXPUSVIRJFDGW-UHFFFAOYSA-N 0 0 381.501 4.301 50 30 GIEARN CCCCCCCOC(=O)C1=C(C)N=C2N=CNN2[C@H]1c1ccccc1Cl ZINC000059513638 520059289 /nfs/dbraw/zinc/05/92/89/520059289.db2.gz UMNHMQWISXBKJB-SFHVURJKSA-N 0 0 388.899 4.387 50 30 GIEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O ZINC000101662313 520067787 /nfs/dbraw/zinc/06/77/87/520067787.db2.gz JZHZIRQVLSSDCK-HXUWFJFHSA-N 0 0 393.915 4.258 50 30 GIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2Cl)C1=O ZINC000101662262 520068727 /nfs/dbraw/zinc/06/87/27/520068727.db2.gz PWJSZWMXQPXIDP-IBGZPJMESA-N 0 0 397.878 4.089 50 30 GIEARN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)ccc1O ZINC000014011336 520633654 /nfs/dbraw/zinc/63/36/54/520633654.db2.gz DRXSEFULVFKMPN-IECUCWQJSA-N 0 0 398.484 4.041 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O ZINC000033476416 520637820 /nfs/dbraw/zinc/63/78/20/520637820.db2.gz TUFRSCFYKUQPKO-SREVYHEPSA-N 0 0 392.835 4.366 50 30 GIEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097324148 520683357 /nfs/dbraw/zinc/68/33/57/520683357.db2.gz APUBYPWWKNETJK-LUJVZZROSA-N 0 0 387.545 4.270 50 30 GIEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000020028900 520792023 /nfs/dbraw/zinc/79/20/23/520792023.db2.gz HEMGIHYQZYPFOE-OAQYLSRUSA-N 0 0 394.515 4.009 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 ZINC000019808436 520813300 /nfs/dbraw/zinc/81/33/00/520813300.db2.gz AVAUGCLUXADDLQ-HXUWFJFHSA-N 0 0 393.874 4.342 50 30 GIEARN CCCCOc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)ccc1OC ZINC000007333697 520847178 /nfs/dbraw/zinc/84/71/78/520847178.db2.gz UREYCCMDSPYEIZ-VMPITWQZSA-N 0 0 381.428 4.101 50 30 GIEARN CCCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000005335821 520852187 /nfs/dbraw/zinc/85/21/87/520852187.db2.gz FWWHWXRFMYIIDG-VMPITWQZSA-N 0 0 381.428 4.101 50 30 GIEARN CCCCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1OC ZINC000005047840 520855165 /nfs/dbraw/zinc/85/51/65/520855165.db2.gz BETRPSLREOEBMM-NDENLUEZSA-N 0 0 382.412 4.277 50 30 GIEARN CCOc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2CC)cc1 ZINC000013424090 520860413 /nfs/dbraw/zinc/86/04/13/520860413.db2.gz FZKXGIBVTLKGSE-NKWDDMGQSA-N 0 0 397.500 4.066 50 30 GIEARN CCOc1ccc(NN=C(C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000005023064 521031406 /nfs/dbraw/zinc/03/14/06/521031406.db2.gz RGULCOGITBNSAU-QJOMJCCJSA-N 0 0 393.428 4.457 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2F)C[C@H]1c1cccc(OC)c1 ZINC000001440880 521276535 /nfs/dbraw/zinc/27/65/35/521276535.db2.gz PQSYMEZHCDDXSL-LAUBAEHRSA-N 0 0 383.419 4.066 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1 ZINC000033776733 521276813 /nfs/dbraw/zinc/27/68/13/521276813.db2.gz QDEINCFRUMQRIC-RBBKRZOGSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@@H]1c1cccc(C)c1 ZINC000225506398 521277072 /nfs/dbraw/zinc/27/70/72/521277072.db2.gz DJNVJPXIMDCSLQ-NFBKMPQASA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)c1c(C)oc2c1C(=CNCc1ccccn1)C(=O)c1ccccc1-2 ZINC000100461323 521399505 /nfs/dbraw/zinc/39/95/05/521399505.db2.gz QMRJGACFGXTXSO-AQTBWJFISA-N 0 0 388.423 4.154 50 30 GIEARN CCN1C/C(=C/c2ccc(N(C)C)cc2)C(=O)/C(=C\c2ccc(N(C)C)cc2)C1 ZINC000035383721 521542034 /nfs/dbraw/zinc/54/20/34/521542034.db2.gz BTHRLOIIFIECKT-BMJUYKDLSA-N 0 0 389.543 4.190 50 30 GIEARN COC(=O)c1ccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1 ZINC000032609467 521938789 /nfs/dbraw/zinc/93/87/89/521938789.db2.gz NCYCABGOMDCBDG-UMDHDWCXSA-N 0 0 394.246 4.494 50 30 GIEARN COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OCC#N ZINC000096635076 521948650 /nfs/dbraw/zinc/94/86/50/521948650.db2.gz YFTPRCMAZZFLDR-XDHOZWIPSA-N 0 0 384.391 4.095 50 30 GIEARN COc1cc(/C=C\C(=O)c2sc(-c3ccc(O)cc3)nc2C)cc(OC)c1O ZINC000096920121 521984325 /nfs/dbraw/zinc/98/43/25/521984325.db2.gz BMWOIQUCMGJRSC-WTKPLQERSA-N 0 0 397.452 4.443 50 30 GIEARN CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002265181 522002465 /nfs/dbraw/zinc/00/24/65/522002465.db2.gz VBTZTTLEKGCDSV-NVXWUHKLSA-N 0 0 380.492 4.063 50 30 GIEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2cccc(Cl)c2C)o1 ZINC000036611440 522781091 /nfs/dbraw/zinc/78/10/91/522781091.db2.gz JZUQCXXISKLHHU-DJKKODMXSA-N 0 0 376.869 4.145 50 30 GIEARN COCc1cc(C)nc(N=NCc2cc3ccc(OC)cc3nc2Cl)c1C#N ZINC000030738754 522917101 /nfs/dbraw/zinc/91/71/01/522917101.db2.gz MBCAZSNUDVEOGS-RMORIDSASA-N 0 0 395.850 4.064 50 30 GIEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1coc3ccc(Cl)cc3c1=O)C2 ZINC000095476099 523024086 /nfs/dbraw/zinc/02/40/86/523024086.db2.gz CDQIHYUNVIAQPX-SDQBBNPISA-N 0 0 382.799 4.286 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102799163 523272862 /nfs/dbraw/zinc/27/28/62/523272862.db2.gz COGNUICLLZTKSU-LFVOPCPISA-N 0 0 399.874 4.107 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102528475 523274892 /nfs/dbraw/zinc/27/48/92/523274892.db2.gz NHELJRZKDLUHLH-LFVOPCPISA-N 0 0 397.471 4.035 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102508296 523275436 /nfs/dbraw/zinc/27/54/36/523275436.db2.gz HUIZTXNAHWXQCM-WOOAAIBNSA-N 0 0 399.874 4.107 50 30 GIEARN COc1ccc(/C=C\C(=O)c2ccc(I)cc2)c(OC)c1 ZINC000034864050 523432265 /nfs/dbraw/zinc/43/22/65/523432265.db2.gz WXORMDBCMQRQNZ-POHAHGRESA-N 0 0 394.208 4.205 50 30 GIEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc1Br ZINC000007717722 523537822 /nfs/dbraw/zinc/53/78/22/523537822.db2.gz KFOXTXYIMHSWHA-GQCTYLIASA-N 0 0 393.233 4.077 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2C)C1=O ZINC000033397594 523609778 /nfs/dbraw/zinc/60/97/78/523609778.db2.gz SKIICEXDXCHFEE-JIIKEMMSSA-N 0 0 381.501 4.248 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1F ZINC000101315671 523669384 /nfs/dbraw/zinc/66/93/84/523669384.db2.gz BMWNXJGSLDSXRS-OACQNMCBSA-N 0 0 380.419 4.057 50 30 GIEARN COc1ccc(C(=O)Oc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000017201762 523775750 /nfs/dbraw/zinc/77/57/50/523775750.db2.gz BJRJEISDDWGPOK-HMAPJEAMSA-N 0 0 391.383 4.269 50 30 GIEARN CC[C@H](C)[NH+]=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000095108940 523820923 /nfs/dbraw/zinc/82/09/23/523820923.db2.gz GISAQIXBQRRWCH-LCCAPQRVSA-N 0 0 382.411 4.402 50 30 GIEARN CCc1ccc2c(c1)/C(=C1/S/C(=N/c3cccc(Cl)c3C)NC1=O)C(=O)N2 ZINC000015016107 524059064 /nfs/dbraw/zinc/05/90/64/524059064.db2.gz ZELSOPGWKWAPBL-MSUUIHNZSA-N 0 0 397.887 4.425 50 30 GIEARN COc1ccccc1-c1cnnc(N=NCc2ccc(OC)c3ccccc23)n1 ZINC000004660099 524277072 /nfs/dbraw/zinc/27/70/72/524277072.db2.gz HGYOWRLRMYEWQK-YDZHTSKRSA-N 0 0 385.427 4.155 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+]2CCCC[C@H]2C)C1=O ZINC000016810031 524322995 /nfs/dbraw/zinc/32/29/95/524322995.db2.gz CAEYRKUXZWZVOL-PJMHOZITSA-N 0 0 379.456 4.391 50 30 GIEARN COc1ccc(NN=C(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000005022892 524378771 /nfs/dbraw/zinc/37/87/71/524378771.db2.gz ANBSJJZDGGEZMS-JLPGSUDCSA-N 0 0 394.456 4.176 50 30 GIEARN COc1ccccc1N1CCN(/N=C(\C)c2ccc(Br)cc2)CC1 ZINC000033319706 524541588 /nfs/dbraw/zinc/54/15/88/524541588.db2.gz QOVBZDHHFKXFOV-RCCKNPSSSA-N 0 0 388.309 4.004 50 30 GIEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c1 ZINC000012662861 524800563 /nfs/dbraw/zinc/80/05/63/524800563.db2.gz SIZZROCTOJCKNG-JAIQZWGSSA-N 0 0 392.363 4.132 50 30 GIEARN Cc1ccccc1NC(=S)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001453021 525266145 /nfs/dbraw/zinc/26/61/45/525266145.db2.gz WHPZTYIHDQWABW-UDWIEESQSA-N 0 0 380.429 4.484 50 30 GIEARN Cc1cc(OCCCC(=O)C=C2NCCc3cc4c(cc32)OCO4)ccc1Cl ZINC000005428072 525368751 /nfs/dbraw/zinc/36/87/51/525368751.db2.gz OALLBVMBRZGNRV-JAIQZWGSSA-N 0 0 399.874 4.292 50 30 GIEARN Cc1ccc(S(=O)(=O)/N=C(\N=C2/C=C(C)C(=O)C=C2C)c2ccccc2)cc1 ZINC000100855697 525484433 /nfs/dbraw/zinc/48/44/33/525484433.db2.gz KQIXEBNCFONTGQ-FOFZDOKDSA-N 0 0 392.480 4.047 50 30 GIEARN Cc1cc2nn(CN(CCC#N)Cc3cccnc3)c(=S)n2c2ccccc12 ZINC000025315333 525688490 /nfs/dbraw/zinc/68/84/90/525688490.db2.gz XPVMLDLGUZQRIP-UHFFFAOYSA-N 0 0 388.500 4.095 50 30 GIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)c1OC ZINC000020611187 525767184 /nfs/dbraw/zinc/76/71/84/525767184.db2.gz NHSHWZKPAMCNTE-MOSHPQCFSA-N 0 0 395.455 4.012 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000102929841 525788465 /nfs/dbraw/zinc/78/84/65/525788465.db2.gz WVYZLBSTUAWJRF-JBCNATCCSA-N 0 0 385.419 4.327 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000000883281 525791140 /nfs/dbraw/zinc/79/11/40/525791140.db2.gz JIRWHLZNTWYTFG-JOCHJYFZSA-N 0 0 377.440 4.299 50 30 GIEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000012520524 526003029 /nfs/dbraw/zinc/00/30/29/526003029.db2.gz YXZZKHVZTVGKDP-LSDHHAIUSA-N 0 0 396.491 4.447 50 30 GIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000102802284 526137796 /nfs/dbraw/zinc/13/77/96/526137796.db2.gz FJAFAAFSKGJMEX-MRJHHRETSA-N 0 0 385.419 4.322 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000058216577 526276966 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O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000016995293 527022457 /nfs/dbraw/zinc/02/24/57/527022457.db2.gz ZRIJEZJWHILNFX-XOBRGWDASA-N 0 0 394.837 4.486 50 30 GIEARN O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@H]1Cc1ccc(F)cc1 ZINC000009332247 527040949 /nfs/dbraw/zinc/04/09/49/527040949.db2.gz SJMJQFXXZZWERM-QMFLXTPQSA-N 0 0 393.443 4.250 50 30 GIEARN C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000012791013 527085805 /nfs/dbraw/zinc/08/58/05/527085805.db2.gz NGZOYEHHGASHTC-SOFGYWHQSA-N 0 0 386.831 4.274 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccccc1F)CN(Cc1ccccn1)CO3 ZINC000013731223 527124006 /nfs/dbraw/zinc/12/40/06/527124006.db2.gz CVHNAGVLLBCUPG-NHDPSOOVSA-N 0 0 388.398 4.189 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(Cc1ccc(F)cc1)CO3 ZINC000013692006 527124771 /nfs/dbraw/zinc/12/47/71/527124771.db2.gz SBMYZINRTCEPPZ-JMIUGGIZSA-N 0 0 377.371 4.387 50 30 GIEARN O=C1c2ccccc2O[C@H](c2ccccc2)C1=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000100223095 527135939 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COc1ccc(C)cc1NC(=NC(=O)c1cccc(C)c1)NCc1cccnc1 ZINC000046128325 570210884 /nfs/dbraw/zinc/21/08/84/570210884.db2.gz POFIGFCWHYCINR-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 ZINC000046130623 570211677 /nfs/dbraw/zinc/21/16/77/570211677.db2.gz PGEVDNBZDXGXQM-OAQYLSRUSA-N 0 0 379.504 4.495 50 30 GIEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NC[C@@H]1CCCO1 ZINC000046131106 570211978 /nfs/dbraw/zinc/21/19/78/570211978.db2.gz SURXRVNNJFZRCR-FQEVSTJZSA-N 0 0 379.504 4.243 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(CC)cc2)cc1 ZINC000046133425 570212205 /nfs/dbraw/zinc/21/22/05/570212205.db2.gz GQMLYTOMHAYOAY-OAQYLSRUSA-N 0 0 395.503 4.025 50 30 GIEARN Cc1cc(Cl)ccc1NC(=NC(=O)c1cccc(F)c1)NC[C@H]1CCCO1 ZINC000046132875 570213421 /nfs/dbraw/zinc/21/34/21/570213421.db2.gz XHPAAWMDPKGONP-QGZVFWFLSA-N 0 0 389.858 4.164 50 30 GIEARN O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000000721393 570220427 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COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(C)o1 ZINC000004756055 570403832 /nfs/dbraw/zinc/40/38/32/570403832.db2.gz PEYWGERIGNJILG-UZUQRXQVSA-N 0 0 391.467 4.431 50 30 GIEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000004786594 570405699 /nfs/dbraw/zinc/40/56/99/570405699.db2.gz GTCTWVQERHMMOL-VBKZILBWSA-N 0 0 394.837 4.486 50 30 GIEARN COc1ccc(Br)cc1/C=C/C(=O)c1ccc2c(c1)OCCO2 ZINC000004832383 570409449 /nfs/dbraw/zinc/40/94/49/570409449.db2.gz FDBHBPHYUPBXAL-GORDUTHDSA-N 0 0 375.218 4.125 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccccc1OCC ZINC000006439908 570421100 /nfs/dbraw/zinc/42/11/00/570421100.db2.gz XKQNSZIMMVWSRG-NFBKMPQASA-N 0 0 394.467 4.413 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCC ZINC000004993364 570422035 /nfs/dbraw/zinc/42/20/35/570422035.db2.gz LBKNYJAZKSCERK-FQEVSTJZSA-N 0 0 389.451 4.217 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(C#N)c1C ZINC000005145213 570426825 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30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000005595811 570448381 /nfs/dbraw/zinc/44/83/81/570448381.db2.gz VKZQBDHYTRCEGN-KRWDZBQOSA-N 0 0 376.437 4.234 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000005611801 570449049 /nfs/dbraw/zinc/44/90/49/570449049.db2.gz MCUDEDPPAXZLIE-FYJGNVAPSA-N 0 0 380.521 4.299 50 30 GIEARN Cc1ccccc1C1N=NC(=S)N1N=Cc1ccc(Br)s1 ZINC000006056303 570465316 /nfs/dbraw/zinc/46/53/16/570465316.db2.gz WWDWQMOXOPVJCP-LZYBPNLTSA-N 0 0 379.308 4.248 50 30 GIEARN C=C(C)C(=O)Oc1c(Br)cc(Br)cc1Br ZINC000002555307 570471243 /nfs/dbraw/zinc/47/12/43/570471243.db2.gz HAYWJKBZHDIUPU-UHFFFAOYSA-N 0 0 398.876 4.456 50 30 GIEARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000006549715 570473046 /nfs/dbraw/zinc/47/30/46/570473046.db2.gz UCKBTBZWAVINCB-AWEZNQCLSA-N 0 0 389.484 4.136 50 30 GIEARN C=CCNC1=NN(c2ccc(OC)cc2)C(C(=O)Nc2ccccc2)=C(C)S1 ZINC000006395171 570479130 /nfs/dbraw/zinc/47/91/30/570479130.db2.gz 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COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C#N)cc2)c2ccccc2)c1 ZINC000006637455 570511526 /nfs/dbraw/zinc/51/15/26/570511526.db2.gz KFQIOUIQYSSRGM-OAQYLSRUSA-N 0 0 386.407 4.104 50 30 GIEARN Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(C#N)cc3)n2N)c1 ZINC000005320959 570552867 /nfs/dbraw/zinc/55/28/67/570552867.db2.gz AOVRQZHUMFKIOC-UHFFFAOYSA-N 0 0 393.516 4.167 50 30 GIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(F)cc1 ZINC000004331382 570575175 /nfs/dbraw/zinc/57/51/75/570575175.db2.gz LILMYBZXRRAFTE-CQSZACIVSA-N 0 0 384.480 4.120 50 30 GIEARN COc1cc(C2CC(=O)C(=CNc3ccc(C)cc3)C(=O)C2)cc(OC)c1OC ZINC000005477695 570607634 /nfs/dbraw/zinc/60/76/34/570607634.db2.gz KQJOBFWUQDTKFX-UHFFFAOYSA-N 0 0 395.455 4.032 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(F)c1 ZINC000006813800 570617532 /nfs/dbraw/zinc/61/75/32/570617532.db2.gz RYOXLLJXJMBXPW-LJQANCHMSA-N 0 0 377.371 4.197 50 30 GIEARN CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 ZINC000072313546 570651829 /nfs/dbraw/zinc/65/18/29/570651829.db2.gz KBMYWRAMGLXJBG-FQEVSTJZSA-N 0 0 381.476 4.203 50 30 GIEARN N#Cc1cccc(NC(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)c1 ZINC000065031472 570651964 /nfs/dbraw/zinc/65/19/64/570651964.db2.gz MFVIPHFZTKPLOM-UHFFFAOYSA-N 0 0 380.407 4.186 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3cccs3)C2)cc1 ZINC000012408746 570663209 /nfs/dbraw/zinc/66/32/09/570663209.db2.gz QYPXXAOEEYUZGU-KPZWWZAWSA-N 0 0 394.456 4.119 50 30 GIEARN CC(C)OCCCn1c(SCCCC#N)nc2cc(Cl)ccc2c1=O ZINC000005570625 570664998 /nfs/dbraw/zinc/66/49/98/570664998.db2.gz OZDXZDJRQPUDRK-UHFFFAOYSA-N 0 0 379.913 4.261 50 30 GIEARN CCCO/C(=N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1)SC ZINC000012411193 570665507 /nfs/dbraw/zinc/66/55/07/570665507.db2.gz VDBCXPSFYOEONE-UCUGKLSDSA-N 0 0 390.530 4.276 50 30 GIEARN C=CCO[C@H](C)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000060350624 570672489 /nfs/dbraw/zinc/67/24/89/570672489.db2.gz RRVYQOYGQUGLHX-LLVKDONJSA-N 0 0 387.789 4.383 50 30 GIEARN NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3cc4ccccc4o3)o2)cc1 ZINC000006886013 570680451 /nfs/dbraw/zinc/68/04/51/570680451.db2.gz KJACQGSSYBVQJD-YRNVUSSQSA-N 0 0 393.420 4.236 50 30 GIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccccc3OC(F)F)s2)cc1 ZINC000025054665 570707644 /nfs/dbraw/zinc/70/76/44/570707644.db2.gz KLOWJGNUBPKSQN-UHFFFAOYSA-N 0 0 385.395 4.459 50 30 GIEARN N#Cc1ccccc1NC(=O)CCSc1n[nH]cc2c3cc(F)ccc3nc1-2 ZINC000025058693 570711403 /nfs/dbraw/zinc/71/14/03/570711403.db2.gz ITSYQDASZLPBBM-UHFFFAOYSA-N 0 0 391.431 4.243 50 30 GIEARN O=C(C/C=N\OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000012957751 570732516 /nfs/dbraw/zinc/73/25/16/570732516.db2.gz ZMDBQBRIJXRPNH-UWVJOHFNSA-N 0 0 382.203 4.433 50 30 GIEARN CSc1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C1C(=O)CCCC1=N2 ZINC000004436115 570767741 /nfs/dbraw/zinc/76/77/41/570767741.db2.gz MYVHBNPLGMSIOC-CQSZACIVSA-N 0 0 381.288 4.329 50 30 GIEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1c(Cl)cccc1Cl ZINC000007108764 570791222 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30 GIEARN C=CCNC(=S)N/N=C/c1ccc(O[C@@H](C)c2ccccc2)c(OCC)c1 ZINC000004511319 570827790 /nfs/dbraw/zinc/82/77/90/570827790.db2.gz DMQCERXWUKWVLJ-PFRBSUFTSA-N 0 0 383.517 4.209 50 30 GIEARN COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1 ZINC000004684660 570830164 /nfs/dbraw/zinc/83/01/64/570830164.db2.gz GWNCIPCSGMIFSG-OAQYLSRUSA-N 0 0 375.428 4.076 50 30 GIEARN COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1 ZINC000012556156 570858871 /nfs/dbraw/zinc/85/88/71/570858871.db2.gz ZXYSBPHATOHDPQ-ZDUSSCGKSA-N 0 0 399.516 4.345 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000170615346 570873025 /nfs/dbraw/zinc/87/30/25/570873025.db2.gz URLBJHJWUSHIBL-AUSIDOKSSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(CC)CC)cc1 ZINC000004726837 570878524 /nfs/dbraw/zinc/87/85/24/570878524.db2.gz CSXMFGWJIMBNLH-OAQYLSRUSA-N 0 0 382.504 4.064 50 30 GIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@@]21C ZINC000004025768 570903994 /nfs/dbraw/zinc/90/39/94/570903994.db2.gz UQWZWQYTKPEDAK-LKTXNROYSA-N 0 0 380.484 4.403 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2cccnc2)CC(=O)O3)C1=O ZINC000263585106 570907799 /nfs/dbraw/zinc/90/77/99/570907799.db2.gz FEIHRQSTXZRGQD-BCUAHEQISA-N 0 0 399.402 4.147 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)cc1 ZINC000016740613 570908712 /nfs/dbraw/zinc/90/87/12/570908712.db2.gz HHCMNMSLZNWTCC-OFNOZLENSA-N 0 0 379.456 4.249 50 30 GIEARN CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000005738803 570915947 /nfs/dbraw/zinc/91/59/47/570915947.db2.gz WTXYTRDODISRJZ-WLDAGKKMSA-N 0 0 381.501 4.329 50 30 GIEARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(N=NCc2ccccc2)n1 ZINC000004737292 570952204 /nfs/dbraw/zinc/95/22/04/570952204.db2.gz JPKWNAZILQNSCV-KEBDBYFISA-N 0 0 392.396 4.271 50 30 GIEARN CC(=O)O[C@](C)(C#CCN1CCCC[C@H]1c1cccnc1)Cc1ccccc1 ZINC000252430735 570955930 /nfs/dbraw/zinc/95/59/30/570955930.db2.gz HJMJDULWIZHBIX-BJKOFHAPSA-N 0 0 376.500 4.177 50 30 GIEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@@H]2CCCO2)c1 ZINC000046131445 570987905 /nfs/dbraw/zinc/98/79/05/570987905.db2.gz SOAVSZIRNXJONN-IBGZPJMESA-N 0 0 385.895 4.334 50 30 GIEARN N#Cc1cc2c(nc1S[C@H]1CC(=O)N(c3ccccc3)C1=O)CCCCCC2 ZINC000108803447 570991926 /nfs/dbraw/zinc/99/19/26/570991926.db2.gz ICFGHZXOWGPNCI-IBGZPJMESA-N 0 0 391.496 4.036 50 30 GIEARN C=CCn1ncc(-c2c(-c3ccccc3)ncn2[C@@H](c2ncnn2C)C2CC2)c1C ZINC000065375686 571000273 /nfs/dbraw/zinc/00/02/73/571000273.db2.gz XCKCBDRZDHMXLC-OAQYLSRUSA-N 0 0 399.502 4.036 50 30 GIEARN CC(C)c1ccc(C=NN=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000252602133 571005661 /nfs/dbraw/zinc/00/56/61/571005661.db2.gz FFTYLKGHFSAZKL-FYEBXICTSA-N 0 0 394.456 4.312 50 30 GIEARN C=CCn1c(=O)oc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 ZINC000046010582 571010359 /nfs/dbraw/zinc/01/03/59/571010359.db2.gz IELWZRPNJCGBSK-UHFFFAOYSA-N 0 0 377.322 4.443 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCc1ccccn1 ZINC000046125261 571023932 /nfs/dbraw/zinc/02/39/32/571023932.db2.gz MSAVLWJTTDKKAN-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000084603612 571026231 /nfs/dbraw/zinc/02/62/31/571026231.db2.gz YNUGCNBZJWTZOB-CYBMUJFWSA-N 0 0 380.448 4.162 50 30 GIEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000007759191 571032109 /nfs/dbraw/zinc/03/21/09/571032109.db2.gz SFUOJKVOXXMJCZ-UHFFFAOYSA-N 0 0 392.415 4.090 50 30 GIEARN CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)C(=Nc3ccccc3)S2)cc1 ZINC000252621764 571033488 /nfs/dbraw/zinc/03/34/88/571033488.db2.gz NGHLDXKRPJOVJD-SFHVURJKSA-N 0 0 397.500 4.066 50 30 GIEARN C=CCn1c(COc2ccccc2F)nnc1Sc1ncnc2sccc21 ZINC000012782562 571035869 /nfs/dbraw/zinc/03/58/69/571035869.db2.gz XMFVCDNWKHNAEM-UHFFFAOYSA-N 0 0 399.476 4.338 50 30 GIEARN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)cc(F)c3)s2)cc1 ZINC000003341119 817438993 /nfs/dbraw/zinc/43/89/93/817438993.db2.gz RYGVRVHNFFRKNP-UHFFFAOYSA-N 0 0 388.424 4.233 50 30 GIEARN N#Cc1ccc(CSc2nnc(NC(=O)/C=C/c3cccc(F)c3)s2)cc1 ZINC000003341846 817439804 /nfs/dbraw/zinc/43/98/04/817439804.db2.gz UWJBNCOVAXISKE-CMDGGOBGSA-N 0 0 396.472 4.493 50 30 GIEARN COc1ccc(CN2C(=O)c3ccccc3/C(=C/c3ccc(C#N)cc3)C2=O)cc1 ZINC000003424087 817453645 /nfs/dbraw/zinc/45/36/45/817453645.db2.gz GTQYKQQSHFREDQ-UCQKPKSFSA-N 0 0 394.430 4.290 50 30 GIEARN N#CC1(NC(=O)COc2ccc3cc(Br)ccc3c2)CCCCC1 ZINC000003476884 817464340 /nfs/dbraw/zinc/46/43/40/817464340.db2.gz DTRRGAQFBVVRRI-UHFFFAOYSA-N 0 0 387.277 4.324 50 30 GIEARN Cc1ccc(-c2nc(NC(=O)CSc3nc(C)cc(C)c3C#N)ns2)cc1 ZINC000003655237 817493480 /nfs/dbraw/zinc/49/34/80/817493480.db2.gz JYAQQBCQHWQRHR-UHFFFAOYSA-N 0 0 395.513 4.128 50 30 GIEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(Cl)s3)sc2C1 ZINC000004280362 817516587 /nfs/dbraw/zinc/51/65/87/817516587.db2.gz NZTJNCGUERPSHM-UHFFFAOYSA-N 0 0 395.893 4.102 50 30 GIEARN O=S(=O)(/N=C(\c1ccccc1)N1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000006343405 817679735 /nfs/dbraw/zinc/67/97/35/817679735.db2.gz BACWFGYXHVVZMA-ZNTNEXAZSA-N 0 0 394.471 4.020 50 30 GIEARN COc1cc(C(=O)/C=C/c2cc(Br)cs2)cc(OC)c1OC ZINC000007000348 817738068 /nfs/dbraw/zinc/73/80/68/817738068.db2.gz MOOQWGDLTVPVQW-SNAWJCMRSA-N 0 0 383.263 4.433 50 30 GIEARN CN(C)S(=O)(=O)c1cccc(COc2ccc(-c3ccc(C#N)cc3)cc2)c1 ZINC000007785644 817914585 /nfs/dbraw/zinc/91/45/85/817914585.db2.gz PZCWSONMPVDUPS-UHFFFAOYSA-N 0 0 392.480 4.055 50 30 GIEARN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)CC2=O)cc1 ZINC000007983729 817975822 /nfs/dbraw/zinc/97/58/22/817975822.db2.gz LNEFDNMUMOPNKJ-NRFANRHFSA-N 0 0 396.446 4.492 50 30 GIEARN N#Cc1cccc(NC(=O)Cn2c3ccccc3nc2NCc2ccccc2)c1 ZINC000007985789 817976237 /nfs/dbraw/zinc/97/62/37/817976237.db2.gz BGTJGYMGEFMXPI-UHFFFAOYSA-N 0 0 381.439 4.159 50 30 GIEARN C=CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 ZINC000008164300 818009941 /nfs/dbraw/zinc/00/99/41/818009941.db2.gz QUPILQLFTSMOAQ-UHFFFAOYSA-N 0 0 391.949 4.450 50 30 GIEARN C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 ZINC000008192217 818015347 /nfs/dbraw/zinc/01/53/47/818015347.db2.gz MZAPBWRZBGHBIL-CYBMUJFWSA-N 0 0 395.513 4.141 50 30 GIEARN C[C@@H]1CN(c2ncc(C=[NH+][N-]c3ccc(C(F)(F)F)cc3)s2)C[C@H](C)O1 ZINC000012338497 818155369 /nfs/dbraw/zinc/15/53/69/818155369.db2.gz HYYWNEZYJFHABR-YHVDDPHISA-N 0 0 384.427 4.222 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cccc3cccnc23)C1=O ZINC000012644714 818173265 /nfs/dbraw/zinc/17/32/65/818173265.db2.gz VLOIJJLTAJJSDN-JXAWBTAJSA-N 0 0 386.407 4.062 50 30 GIEARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)N(C)c1cccc(C#N)c1 ZINC000058015653 823354687 /nfs/dbraw/zinc/35/46/87/823354687.db2.gz DGRWQXPZKPQPQP-LLVKDONJSA-N 0 0 393.668 4.404 50 30 GIEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000021349669 818679005 /nfs/dbraw/zinc/67/90/05/818679005.db2.gz KPFNKEUGJLDNKT-SZNDQCEHSA-N 0 0 388.423 4.352 50 30 GIEARN CC(C)=NOc1nc(N)nc(Nc2ccccc2SCCC(F)(F)F)n1 ZINC000022016322 818764253 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GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccc(F)cc1 ZINC000097104871 211357527 /nfs/dbraw/zinc/35/75/27/211357527.db2.gz AWOQOWCGIVPNST-UGKGYDQZSA-N 0 0 398.430 4.162 50 30 GIEARN C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1c(F)cc(C#N)cc1F ZINC000095410110 211239490 /nfs/dbraw/zinc/23/94/90/211239490.db2.gz GSIBVRDBAHDJSQ-SNVBAGLBSA-N 0 0 384.304 4.053 50 30 GIEARN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1Cl ZINC000079047655 211152949 /nfs/dbraw/zinc/15/29/49/211152949.db2.gz LXGMURKHPBJGKY-UHFFFAOYSA-N 0 0 386.864 4.156 50 30 GIEARN Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)cc1 ZINC000069248136 211035737 /nfs/dbraw/zinc/03/57/37/211035737.db2.gz HQIOMJMSDRGODI-QGZVFWFLSA-N 0 0 399.450 4.475 50 30 GIEARN Cc1cccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2C#N)c1C ZINC000020417805 210333677 /nfs/dbraw/zinc/33/36/77/210333677.db2.gz KIIZIHVZLAAKGM-UHFFFAOYSA-N 0 0 399.450 4.445 50 30 GIEARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1C#N ZINC000006549697 220940063 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4.154 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccncc1 ZINC000016807839 518638109 /nfs/dbraw/zinc/63/81/09/518638109.db2.gz JBOLVMXJCRPUGH-UHFFFAOYSA-N 0 0 397.479 4.095 50 30 GIEARN C=CCCO[C@@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000065513835 518704825 /nfs/dbraw/zinc/70/48/25/518704825.db2.gz ZKPXVHYASDNEGH-SJORKVTESA-N 0 0 385.504 4.154 50 30 GIEARN C=CCN(CC(F)(F)F)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000058434742 518760762 /nfs/dbraw/zinc/76/07/62/518760762.db2.gz NTZRYLFWBZTLGM-UHFFFAOYSA-N 0 0 386.377 4.125 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000037556095 518901269 /nfs/dbraw/zinc/90/12/69/518901269.db2.gz XDKXDUODCGKTFA-UHFFFAOYSA-N 0 0 384.479 4.378 50 30 GIEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(C)C2=O)cc1 ZINC000097466952 519015460 /nfs/dbraw/zinc/01/54/60/519015460.db2.gz PRIWNSCJIYSOFO-GKVQKNEHSA-N 0 0 380.469 4.494 50 30 GIEARN C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096585530 519016202 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ZINC000014882072 519179029 /nfs/dbraw/zinc/17/90/29/519179029.db2.gz SIPNLUNULZOKBE-UHFFFAOYSA-N 0 0 398.507 4.233 50 30 GIEARN C=CCn1c(Cc2csc(NC(=O)c3cc4ccccc4o3)n2)n[nH]c1=S ZINC000024757207 519193900 /nfs/dbraw/zinc/19/39/00/519193900.db2.gz WHVBFBOUXXEWDL-UHFFFAOYSA-N 0 0 397.485 4.172 50 30 GIEARN C=CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(Cl)cc1Cl ZINC000000643420 519203981 /nfs/dbraw/zinc/20/39/81/519203981.db2.gz HBTDUBYPYAXMHU-UHFFFAOYSA-N 0 0 399.347 4.445 50 30 GIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccccc1 ZINC000004286062 519208781 /nfs/dbraw/zinc/20/87/81/519208781.db2.gz JNXHBYNVPGIBJH-LZLYRXPVSA-N 0 0 384.549 4.164 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(F)cc1 ZINC000001140714 519219266 /nfs/dbraw/zinc/21/92/66/519219266.db2.gz AQHGLSXKQGUMLC-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc(O)c(OC)c3)c12 ZINC000098054076 519268017 /nfs/dbraw/zinc/26/80/17/519268017.db2.gz WNXHDVYJKZVROH-BENRWUELSA-N 0 0 387.439 4.394 50 30 GIEARN C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3ccc4c(c3)OCCO4)c12 ZINC000098054080 519268203 /nfs/dbraw/zinc/26/82/03/519268203.db2.gz IFANXJMAADGTCT-NTMALXAHSA-N 0 0 399.450 4.451 50 30 GIEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)cc1 ZINC000096305622 519712544 /nfs/dbraw/zinc/71/25/44/519712544.db2.gz OJSIFRFKJIZEFC-JYRVWZFOSA-N 0 0 388.471 4.357 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C\c1cccc(Oc2ccccc2)c1 ZINC000096888436 519828930 /nfs/dbraw/zinc/82/89/30/519828930.db2.gz XKCBSXVPGVVHOH-FRHQNKJESA-N 0 0 392.455 4.090 50 30 GIEARN CCOCCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)S/C1=N\c1ccccc1 ZINC000100372407 519911218 /nfs/dbraw/zinc/91/12/18/519911218.db2.gz BDXYXLGXDXVEBB-KLPPEWMLSA-N 0 0 398.484 4.041 50 30 GIEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000097949526 520023910 /nfs/dbraw/zinc/02/39/10/520023910.db2.gz ZFABDYVYKVWDGI-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN O=C(NCCc1ccc2n[nH]cc2c1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000328592016 534463566 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CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036257989 520538726 /nfs/dbraw/zinc/53/87/26/520538726.db2.gz GYFUJXLMQLYISH-GZTJUZNOSA-N 0 0 399.443 4.383 50 30 GIEARN CCOc1cc2c(cc1/C=C1\S/C(=N\c3ccc(C)c(C)c3)NC1=O)OCO2 ZINC000033291727 520790016 /nfs/dbraw/zinc/79/00/16/520790016.db2.gz KOGNTWVCSHFSQZ-OCKHKDLRSA-N 0 0 396.468 4.322 50 30 GIEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005148670 520804774 /nfs/dbraw/zinc/80/47/74/520804774.db2.gz OFUWUEJDAKYFGY-MFOYZWKCSA-N 0 0 376.767 4.037 50 30 GIEARN CCCCOc1ccc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OCC ZINC000096920168 520854597 /nfs/dbraw/zinc/85/45/97/520854597.db2.gz VAARYONEMAUJQU-TWGQIWQCSA-N 0 0 395.455 4.491 50 30 GIEARN CCOc1ccc(/N=C2\c3ccccc3N(CN3CCC[C@@H](C)C3)C2=O)cc1 ZINC000100835109 520860050 /nfs/dbraw/zinc/86/00/50/520860050.db2.gz BVJDPRDDUBDGGN-AHVROQKPSA-N 0 0 377.488 4.242 50 30 GIEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccco2)cc1 ZINC000017991292 520882348 /nfs/dbraw/zinc/88/23/48/520882348.db2.gz XAUJQBROKJNFIM-IBGZPJMESA-N 0 0 393.395 4.050 50 30 GIEARN CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@H](c2ccccc2)CC1=O ZINC000100168935 521069106 /nfs/dbraw/zinc/06/91/06/521069106.db2.gz CJDGLWPNEMSQJC-KRWDZBQOSA-N 0 0 387.483 4.075 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1cccc(OC)c1 ZINC000033776734 521090892 /nfs/dbraw/zinc/09/08/92/521090892.db2.gz QDEINCFRUMQRIC-UNMCSNQZSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2cc(Cl)c(O)c(OC)c2)c1C ZINC000096447613 521357233 /nfs/dbraw/zinc/35/72/33/521357233.db2.gz QNRDAWJJGSSVQG-SREVYHEPSA-N 0 0 377.824 4.072 50 30 GIEARN CCOC(=O)c1cc(-c2csc(N=NCc3ccc(Cl)cc3)n2)on1 ZINC000004394618 521427370 /nfs/dbraw/zinc/42/73/70/521427370.db2.gz FFDYHBCDAGSHOS-QGMBQPNBSA-N 0 0 376.825 4.074 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F ZINC000002923013 521709642 /nfs/dbraw/zinc/70/96/42/521709642.db2.gz QZBOEMAUVRVFAW-LJQANCHMSA-N 0 0 389.492 4.090 50 30 GIEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2Cl)o1 ZINC000036611352 521794580 /nfs/dbraw/zinc/79/45/80/521794580.db2.gz URYHGMXZERVLLR-VXLYETTFSA-N 0 0 376.869 4.406 50 30 GIEARN COc1cc(/C=C/C(=O)OCc2ccccc2C(F)(F)F)ccc1OCC#N ZINC000004319045 521936577 /nfs/dbraw/zinc/93/65/77/521936577.db2.gz JIQTWLWUYJBVEN-VQHVLOKHSA-N 0 0 391.345 4.373 50 30 GIEARN CN(CCC#N)C(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000069741015 522674140 /nfs/dbraw/zinc/67/41/40/522674140.db2.gz MVMJFXCZLXCGED-UHFFFAOYSA-N 0 0 378.863 4.237 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102799162 523271824 /nfs/dbraw/zinc/27/18/24/523271824.db2.gz COGNUICLLZTKSU-WOOAAIBNSA-N 0 0 399.874 4.107 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000100455359 523275502 /nfs/dbraw/zinc/27/55/02/523275502.db2.gz ZTOJOYVGVCUNKQ-MRJHHRETSA-N 0 0 393.483 4.268 50 30 GIEARN COc1ccc(-n2cnc(N=C(C)CC(C)=O)c2C(=O)c2ccccc2)cc1 ZINC000005062085 523337531 /nfs/dbraw/zinc/33/75/31/523337531.db2.gz KTDWOEMHANFJMS-SQFISAMPSA-N 0 0 375.428 4.017 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)cc1 ZINC000016810027 523421208 /nfs/dbraw/zinc/42/12/08/523421208.db2.gz JVALZDFTUNMDKF-PJMHOZITSA-N 0 0 379.456 4.391 50 30 GIEARN COc1ccc(C(=O)/C=C2/C(=O)N(c3ccccc3)C(=N)N2c2ccccc2)cc1 ZINC000036033895 523542044 /nfs/dbraw/zinc/54/20/44/523542044.db2.gz PKILMONVIFEXLS-SNSRFIGSSA-N 0 0 397.434 4.250 50 30 GIEARN COc1ccc(C(=O)/C=C2\C(=O)N(c3ccccc3)C(=N)N2c2ccccc2)cc1 ZINC000017194029 523544914 /nfs/dbraw/zinc/54/49/14/523544914.db2.gz PKILMONVIFEXLS-CHLWQFSPSA-N 0 0 397.434 4.250 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(F)cc1 ZINC000013482314 523669329 /nfs/dbraw/zinc/66/93/29/523669329.db2.gz RTLPBYJEMADABF-CCMJGWDWSA-N 0 0 380.419 4.057 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F ZINC000012385027 523669425 /nfs/dbraw/zinc/66/94/25/523669425.db2.gz 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C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611616 524114947 /nfs/dbraw/zinc/11/49/47/524114947.db2.gz DXYFJLIDWRVMQF-WHJAWBAWSA-N 0 0 393.439 4.112 50 30 GIEARN Cc1cccc(C(=N)NOC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000005059797 524150512 /nfs/dbraw/zinc/15/05/12/524150512.db2.gz PCUGKQMENFTNCN-UHFFFAOYSA-N 0 0 387.650 4.198 50 30 GIEARN Cc1cccc(C)c1NC(=N)Nc1nc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000055514543 524264192 /nfs/dbraw/zinc/26/41/92/524264192.db2.gz MNPZNLNMVOOULK-UHFFFAOYSA-N 0 0 377.292 4.189 50 30 GIEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O ZINC000005825575 524316633 /nfs/dbraw/zinc/31/66/33/524316633.db2.gz CEIDYMOUFKUDFM-RQIKSRJSSA-N 0 0 394.423 4.198 50 30 GIEARN COc1ccccc1/C=C1\S/C(=N\c2ccccc2Br)NC1=O ZINC000013777017 524321636 /nfs/dbraw/zinc/32/16/36/524321636.db2.gz PIPOKGPEFQCFDK-GDNBJRDFSA-N 0 0 389.274 4.349 50 30 GIEARN Cc1cc(C)n(-c2ccc(CNC(=O)C3(C#N)CCCC3)c(C(F)(F)F)c2)n1 ZINC000068220958 524483000 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COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 ZINC000013127067 525399624 /nfs/dbraw/zinc/39/96/24/525399624.db2.gz UQYVXKHOXAEXQJ-OPAMFIHVSA-N 0 0 386.455 4.011 50 30 GIEARN Cc1nc(C=CC(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cs1 ZINC000096973050 534868502 /nfs/dbraw/zinc/86/85/02/534868502.db2.gz MGXJDTILNQBWIJ-SREVYHEPSA-N 0 0 390.266 4.301 50 30 GIEARN COc1cccc(-c2csc(C3=C(N)N([C@H](C)c4ccccc4)CC3=O)n2)c1 ZINC000034769481 525717551 /nfs/dbraw/zinc/71/75/51/525717551.db2.gz YCDRJJRDIQTRRZ-CQSZACIVSA-N 0 0 391.496 4.092 50 30 GIEARN C[C@@H](Nc1nc2no[nH]c-2nc1=NN=Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000098086412 525726339 /nfs/dbraw/zinc/72/63/39/525726339.db2.gz PMLRSLKLESYMHL-GHONEHJGSA-N 0 0 398.430 4.113 50 30 GIEARN COc1cccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1O ZINC000004989753 525773748 /nfs/dbraw/zinc/77/37/48/525773748.db2.gz ZDLFXDFGNUKRTB-BUVRLJJBSA-N 0 0 397.438 4.366 50 30 GIEARN Cc1ccc(-c2nn(CCC#N)cc2C=CC(=O)OCC(=O)c2ccccc2)cc1 ZINC000002628675 525840788 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N#CC1(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)CCCCC1 ZINC000006657477 526437346 /nfs/dbraw/zinc/43/73/46/526437346.db2.gz IPPNDPKUGPWKCE-UHFFFAOYSA-N 0 0 390.512 4.460 50 30 GIEARN N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000019891927 526458918 /nfs/dbraw/zinc/45/89/18/526458918.db2.gz XJGASJNOFNLCDL-UHFFFAOYSA-N 0 0 394.327 4.460 50 30 GIEARN N#C[C@H](C(=O)c1c[nH]c2cc(Cl)ccc21)C(=O)C1=NO[C@H](c2ccccc2)C1 ZINC000104107114 526506872 /nfs/dbraw/zinc/50/68/72/526506872.db2.gz LELOCRZOKWHBRP-BEFAXECRSA-N 0 0 391.814 4.230 50 30 GIEARN N#C[C@H](c1ccccc1)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1Cl ZINC000007641865 526511142 /nfs/dbraw/zinc/51/11/42/526511142.db2.gz YRPHHKVQBRWNJP-FUHWJXTLSA-N 0 0 385.920 4.461 50 30 GIEARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)o1 ZINC000021685434 526798058 /nfs/dbraw/zinc/79/80/58/526798058.db2.gz RBPCWRJAWUAEHU-AWEZNQCLSA-N 0 0 382.445 4.066 50 30 GIEARN Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1N=Cc1ccc(Cl)cc1Cl ZINC000102726532 526838624 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Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(F)cc1)NC[C@@H]1CCCO1 ZINC000046132862 570213018 /nfs/dbraw/zinc/21/30/18/570213018.db2.gz MSNTWZLHXXZCJT-KRWDZBQOSA-N 0 0 389.858 4.164 50 30 GIEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000639176 570213279 /nfs/dbraw/zinc/21/32/79/570213279.db2.gz LOGXGPQOJBJYHT-CQSZACIVSA-N 0 0 396.270 4.094 50 30 GIEARN CC(C)c1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1 ZINC000046133224 570213424 /nfs/dbraw/zinc/21/34/24/570213424.db2.gz KZACACSHWNLSKV-FQEVSTJZSA-N 0 0 383.467 4.326 50 30 GIEARN C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nc2ccccc2[nH]1 ZINC000048242795 570222660 /nfs/dbraw/zinc/22/26/60/570222660.db2.gz KBAAWUDHYCOUQP-CQSZACIVSA-N 0 0 386.411 4.098 50 30 GIEARN CN(C)c1ccc(/C=C2/S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1 ZINC000004817480 570236314 /nfs/dbraw/zinc/23/63/14/570236314.db2.gz DZKGREDHVFTEMB-VGPIXTITSA-N 0 0 384.892 4.000 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O ZINC000012342702 570236700 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Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O ZINC000007740387 571029360 /nfs/dbraw/zinc/02/93/60/571029360.db2.gz SPCGAXOMELNKIE-UHFFFAOYSA-N 0 0 380.806 4.495 50 30 GIEARN N#Cc1cccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000007737901 571029667 /nfs/dbraw/zinc/02/96/67/571029667.db2.gz RUILIAUXHILZNU-JOCHJYFZSA-N 0 0 376.843 4.496 50 30 GIEARN O=[N+]([O-])c1ccc(OCCOc2ccc(C(=NO)c3ccccc3)cc2)cc1 ZINC000252620934 571032992 /nfs/dbraw/zinc/03/29/92/571032992.db2.gz MPMHHNIIGVZOOB-UHFFFAOYSA-N 0 0 378.384 4.279 50 30 GIEARN Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000007776707 571035464 /nfs/dbraw/zinc/03/54/64/571035464.db2.gz VEGDBMOHGFBUIU-SECBINFHSA-N 0 0 378.548 4.168 50 30 GIEARN CC1(C)Cc2c(C#N)c(N(C(=O)c3ccco3)C(=O)c3ccco3)sc2CO1 ZINC000000752942 817373367 /nfs/dbraw/zinc/37/33/67/817373367.db2.gz YHCJFJOFEAAAHS-UHFFFAOYSA-N 0 0 396.424 4.144 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C)cc1 ZINC000002448430 817389802 /nfs/dbraw/zinc/38/98/02/817389802.db2.gz 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386.467 4.071 50 30 GIEARN CC(=O)[C@@H]1[C@@H](c2cccc(F)c2F)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000002275071 211614871 /nfs/dbraw/zinc/61/48/71/211614871.db2.gz LKNUEHIZNUCUFJ-NRSPTQNISA-N 0 0 375.378 4.081 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4ccncc4)nn3[C@H](c3ccccc3Cl)C12 ZINC000004279857 211538714 /nfs/dbraw/zinc/53/87/14/211538714.db2.gz YOWMHJJVEKJJKY-GOSISDBHSA-N 0 0 377.835 4.016 50 30 GIEARN O=C1c2ccccc2C(=O)C1=Cc1coc2ccc(Br)cc2c1=O ZINC000002355001 211515212 /nfs/dbraw/zinc/51/52/12/211515212.db2.gz FIPKFLNIKURJBO-UHFFFAOYSA-N 0 0 381.181 4.018 50 30 GIEARN N#Cc1ccc([C@@H]2CC(c3ccc(F)cc3)=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102247125 211409175 /nfs/dbraw/zinc/40/91/75/211409175.db2.gz DQSADJQFQKEFKN-INIZCTEOSA-N 0 0 385.324 4.364 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1cccs1 ZINC000097105070 211358580 /nfs/dbraw/zinc/35/85/80/211358580.db2.gz JRCMECKZXZITTI-JXFKEZNVSA-N 0 0 386.469 4.085 50 30 GIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000096346449 211335892 /nfs/dbraw/zinc/33/58/92/211335892.db2.gz UZYYCMIAZOEUJL-LEWJYISDSA-N 0 0 384.483 4.140 50 30 GIEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC ZINC000096019772 211294613 /nfs/dbraw/zinc/29/46/13/211294613.db2.gz DRNKAMSLPQPBHP-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN C[C@@H]1c2cc(Cl)c(Cl)cc2CCN1C(=O)COc1ccc(C#N)cc1 ZINC000095413200 211239445 /nfs/dbraw/zinc/23/94/45/211239445.db2.gz JNKPNXAYYGHASC-GFCCVEGCSA-N 0 0 375.255 4.390 50 30 GIEARN CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(NCC)nc1 ZINC000071750226 211055857 /nfs/dbraw/zinc/05/58/57/211055857.db2.gz NGRKFWTYNBIBTN-AWEZNQCLSA-N 0 0 394.523 4.049 50 30 GIEARN N#Cc1c(NC(=O)COC(=O)/C=C\c2ccccc2)sc2c1CCCCC2 ZINC000033470969 210650054 /nfs/dbraw/zinc/65/00/54/210650054.db2.gz NTQQMJXMMBGNDD-QXMHVHEDSA-N 0 0 380.469 4.084 50 30 GIEARN COc1ccc(-c2nc(CSCC(=O)Nc3cccc(C#N)c3)co2)cc1 ZINC000031424423 210563471 /nfs/dbraw/zinc/56/34/71/210563471.db2.gz WEZTZUWUPJYOHK-UHFFFAOYSA-N 0 0 379.441 4.094 50 30 GIEARN C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000021300829 210380518 /nfs/dbraw/zinc/38/05/18/210380518.db2.gz GCGWWKKSGPETMI-KRWDZBQOSA-N 0 0 398.381 4.198 50 30 in-vitro GIEARN N#Cc1ccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)cc1 ZINC000020639150 210355541 /nfs/dbraw/zinc/35/55/41/210355541.db2.gz QZDCBJPCVSBCEF-OWOJBTEDSA-N 0 0 392.352 4.252 50 30 GIEARN N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c1-c1ccco1 ZINC000020458734 210338246 /nfs/dbraw/zinc/33/82/46/210338246.db2.gz DHFVFLQWHWHDRY-UHFFFAOYSA-N 0 0 394.843 4.477 50 30 GIEARN COc1cc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(OC)cc1Cl ZINC000020011136 210310361 /nfs/dbraw/zinc/31/03/61/210310361.db2.gz MLOIZUFFTOLHOR-UHFFFAOYSA-N 0 0 385.807 4.173 50 30 GIEARN CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2c1N ZINC000020101247 210316467 /nfs/dbraw/zinc/31/64/67/210316467.db2.gz XQSVBUZUXQYWMJ-UHFFFAOYSA-N 0 0 380.473 4.299 50 30 GIEARN Cc1nn2c(ncc3c2ccn(-c2ccccc2C#N)c3=O)c1-c1ccc(F)cc1 ZINC000019821353 210299818 /nfs/dbraw/zinc/29/98/18/210299818.db2.gz IDDMXWMQUVAGHY-UHFFFAOYSA-N 0 0 395.397 4.020 50 30 GIEARN Cc1cc(N2CCN(Cc3ccc(F)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019808692 210297326 /nfs/dbraw/zinc/29/73/26/210297326.db2.gz LAXOTCVXBLGFAJ-UHFFFAOYSA-N 0 0 399.473 4.129 50 30 GIEARN N#Cc1ccc(OCCOC(=O)c2ccccc2SC[C@H]2CCCO2)cc1 ZINC000019606090 210275000 /nfs/dbraw/zinc/27/50/00/210275000.db2.gz TYIGRSGBLVOSRF-GOSISDBHSA-N 0 0 383.469 4.065 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C)o1 ZINC000000781145 220458797 /nfs/dbraw/zinc/45/87/97/220458797.db2.gz BXHYNXULWASURE-RBZFPXEDSA-N 0 0 383.469 4.184 50 30 GIEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000008769184 221057088 /nfs/dbraw/zinc/05/70/88/221057088.db2.gz BRGCQOHAKVPIIK-MGNBDDOMSA-N 0 0 384.411 4.034 50 30 GIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)N4CCCCCC4)CC3)c2c1 ZINC000065034376 136159009 /nfs/dbraw/zinc/15/90/09/136159009.db2.gz VHMIPBBKWMUQKD-UHFFFAOYSA-N 0 0 376.504 4.034 50 30 GIEARN N#Cc1ccccc1NC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099926 136171610 /nfs/dbraw/zinc/17/16/10/136171610.db2.gz QFJVLDVSIPFZCE-UHFFFAOYSA-N 0 0 397.482 4.060 50 30 GIEARN N#Cc1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1C(F)(F)F ZINC000079089614 136173012 /nfs/dbraw/zinc/17/30/12/136173012.db2.gz ZOCWUJZHVUXWCW-UHFFFAOYSA-N 0 0 399.376 4.406 50 30 GIEARN N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 ZINC000096346549 136186725 /nfs/dbraw/zinc/18/67/25/136186725.db2.gz PVZKFLZDANJKRA-QZTJIDSGSA-N 0 0 388.446 4.283 50 30 GIEARN CCCc1cc(N2CCN(c3ccccn3)CC2)n2c3ccccc3nc2c1C#N ZINC000100693063 136189218 /nfs/dbraw/zinc/18/92/18/136189218.db2.gz OYVVCLXEKYEZMM-UHFFFAOYSA-N 0 0 396.498 4.033 50 30 GIEARN Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1C(F)(F)F ZINC000014801083 136201657 /nfs/dbraw/zinc/20/16/57/136201657.db2.gz UQEDTORIPUNUTA-UHFFFAOYSA-N 0 0 388.393 4.136 50 30 GIEARN CC(=O)[C@@H]1[C@H](c2cccc(F)c2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000035937970 518210801 /nfs/dbraw/zinc/21/08/01/518210801.db2.gz LKNUEHIZNUCUFJ-CEWLAPEOSA-N 0 0 375.378 4.081 50 30 GIEARN C#CCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)cc(C(C)(C)C)cc2C)C1=O ZINC000001066802 518272876 /nfs/dbraw/zinc/27/28/76/518272876.db2.gz YXMFSBJSHCBFFU-VWLOTQADSA-N 0 0 389.495 4.041 50 30 GIEARN C#CCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100875066 518343426 /nfs/dbraw/zinc/34/34/26/518343426.db2.gz HGEODPGDLIRNGU-ZZEZOPTASA-N 0 0 385.286 4.148 50 30 GIEARN CC(=[NH+][N-]c1ccc(F)cc1)c1cc(F)c(N2CCN(CCC#N)CC2)cc1C ZINC000022027579 518465049 /nfs/dbraw/zinc/46/50/49/518465049.db2.gz LSHPOJCKWWSMHL-YZSQISJMSA-N 0 0 397.473 4.145 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccncc1 ZINC000016788640 518640316 /nfs/dbraw/zinc/64/03/16/518640316.db2.gz IAWPFXGDLRMTJD-UHFFFAOYSA-N 0 0 393.516 4.209 50 30 GIEARN C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1SCCC#N ZINC000095953565 518670261 /nfs/dbraw/zinc/67/02/61/518670261.db2.gz RTBGAHMYZGKKNV-UHFFFAOYSA-N 0 0 377.469 4.148 50 30 GIEARN C=CCCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC)C1 ZINC000014885358 518695201 /nfs/dbraw/zinc/69/52/01/518695201.db2.gz YIHOIOVGLVVHBZ-UHFFFAOYSA-N 0 0 397.471 4.067 50 30 GIEARN C=CCN(C(=O)c1ccn(-c2ccc(F)cc2)n1)c1nc2c(s1)CCCC2 ZINC000032833337 518739900 /nfs/dbraw/zinc/73/99/00/518739900.db2.gz CRLWRZOQEYLFHS-UHFFFAOYSA-N 0 0 382.464 4.180 50 30 GIEARN CC(C)(C)Nc1nc(=NN=Cc2ccccc2F)nc(NCc2ccccc2)[nH]1 ZINC000004199538 518774507 /nfs/dbraw/zinc/77/45/07/518774507.db2.gz RJKRQQWOVOYMSN-ZVHZXABRSA-N 0 0 393.470 4.279 50 30 GIEARN C=CCN(Cc1ccc(Cl)s1)C(=O)/C=C\c1cnn(-c2ccccc2)n1 ZINC000097086705 518779904 /nfs/dbraw/zinc/77/99/04/518779904.db2.gz UHLUKVWRDWSDHD-FLIBITNWSA-N 0 0 384.892 4.210 50 30 GIEARN C=CCN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3)c2)SC1=S ZINC000004478020 518834111 /nfs/dbraw/zinc/83/41/11/518834111.db2.gz XPYFWNASLZQSPP-GHRIWEEISA-N 0 0 381.478 4.293 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1F ZINC000016741387 518835467 /nfs/dbraw/zinc/83/54/67/518835467.db2.gz PCPMHFHEZXCQBX-FQEVSTJZSA-N 0 0 395.430 4.297 50 30 GIEARN C=CCNC(=O)Nc1cccc(N2CCCN(Cc3cc(C)cc(C)c3)C2=O)c1 ZINC000034737257 518912106 /nfs/dbraw/zinc/91/21/06/518912106.db2.gz UUNUXLNDFDWIHW-UHFFFAOYSA-N 0 0 392.503 4.443 50 30 GIEARN C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccccc2)cc1OC ZINC000010412385 519033823 /nfs/dbraw/zinc/03/38/23/519033823.db2.gz NOWMPBONPUHTJD-HXUWFJFHSA-N 0 0 396.487 4.473 50 30 GIEARN C=CCSc1nnc(NC(=O)c2nc(SC(C)C)ncc2Cl)s1 ZINC000006748107 519090597 /nfs/dbraw/zinc/09/05/97/519090597.db2.gz NWLRNJZPFQSIBZ-UHFFFAOYSA-N 0 0 387.943 4.012 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003490982 519172527 /nfs/dbraw/zinc/17/25/27/519172527.db2.gz AOEDVRVRRNCYHP-UHFFFAOYSA-N 0 0 380.473 4.296 50 30 GIEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(CC)cc1 ZINC000001118227 519191646 /nfs/dbraw/zinc/19/16/46/519191646.db2.gz RBNXZWXZKXJBDW-UHFFFAOYSA-N 0 0 392.528 4.348 50 30 GIEARN C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1cc2ccccc2o1 ZINC000010478808 519201440 /nfs/dbraw/zinc/20/14/40/519201440.db2.gz ATFCEVNDBYKKEQ-UHFFFAOYSA-N 0 0 396.516 4.228 50 30 GIEARN C=CCn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nnc1-c1ccccc1 ZINC000004286059 519209434 /nfs/dbraw/zinc/20/94/34/519209434.db2.gz JNXHBYNVPGIBJH-JFIYKMOQSA-N 0 0 384.549 4.164 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(CC)cc2c1=O ZINC000000909635 519220743 /nfs/dbraw/zinc/22/07/43/519220743.db2.gz JKORVXWWMWCDAU-UHFFFAOYSA-N 0 0 399.541 4.246 50 30 GIEARN C=CCn1c(SCC(=O)c2cc(C)c(OC)cc2C)nnc1-c1ccncc1 ZINC000032579496 519230934 /nfs/dbraw/zinc/23/09/34/519230934.db2.gz JCZQZTWUMOKLBL-UHFFFAOYSA-N 0 0 394.500 4.127 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1cccc(F)c1 ZINC000008881930 519232148 /nfs/dbraw/zinc/23/21/48/519232148.db2.gz HVRBSPHXQAAIIG-UHFFFAOYSA-N 0 0 378.432 4.117 50 30 GIEARN C=CCn1c(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)nnc1C1CC1 ZINC000048355337 519247920 /nfs/dbraw/zinc/24/79/20/519247920.db2.gz ATYCGRHLTFUEST-UHFFFAOYSA-N 0 0 395.507 4.447 50 30 GIEARN C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2sccc2c1=O ZINC000024767268 519258553 /nfs/dbraw/zinc/25/85/53/519258553.db2.gz RTDRVGWUCMJEFG-SNVBAGLBSA-N 0 0 376.507 4.178 50 30 GIEARN CCCNC(=O)c1c(/N=C/c2ccc(COc3cc(C)cc(C)c3)o2)cnn1C ZINC000002798249 519897685 /nfs/dbraw/zinc/89/76/85/519897685.db2.gz QEIIDLRXNZESNR-WYMPLXKRSA-N 0 0 394.475 4.099 50 30 GIEARN CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)CCCC1=O ZINC000100139549 519905332 /nfs/dbraw/zinc/90/53/32/519905332.db2.gz BHMXKNYWWHQGBH-UHFFFAOYSA-N 0 0 382.504 4.383 50 30 GIEARN CCCCCCCC1=C(N)c2ccc(OCC(F)(F)F)cc2S1(=O)=O ZINC000100214428 519971519 /nfs/dbraw/zinc/97/15/19/519971519.db2.gz UUOXXYUHDXZUBD-UHFFFAOYSA-N 0 0 377.428 4.403 50 30 GIEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc(OC)c(OC)c1 ZINC000098001296 520024331 /nfs/dbraw/zinc/02/43/31/520024331.db2.gz CCRVHMARIVWAOF-CAPFRKAQSA-N 0 0 384.542 4.098 50 30 GIEARN CCCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 ZINC000101284765 520040106 /nfs/dbraw/zinc/04/01/06/520040106.db2.gz WHRCIROFTGHXFG-LJQANCHMSA-N 0 0 383.496 4.174 50 30 GIEARN CCCCCCCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000101113280 520041556 /nfs/dbraw/zinc/04/15/56/520041556.db2.gz QUBJBKXGOAZQON-UHFFFAOYSA-N 0 0 389.945 4.100 50 30 GIEARN CCCCCCCNC(=O)C1CCN(c2cc(-c3ccccc3)ncn2)CC1 ZINC000102309804 520053827 /nfs/dbraw/zinc/05/38/27/520053827.db2.gz QGPOHMUKOGYREU-UHFFFAOYSA-N 0 0 380.536 4.447 50 30 GIEARN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000097954025 520061808 /nfs/dbraw/zinc/06/18/08/520061808.db2.gz KAHJLUZOQQPAIN-QGZVFWFLSA-N 0 0 380.492 4.351 50 30 GIEARN CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002373601 520097067 /nfs/dbraw/zinc/09/70/67/520097067.db2.gz SSRUDYZBDPEOFM-QGZVFWFLSA-N 0 0 380.492 4.351 50 30 GIEARN CCN(C(C)=O)c1nc(/C=C\C(=O)c2cc(Cl)c(N)c(Cl)c2)cs1 ZINC000098053155 520133861 /nfs/dbraw/zinc/13/38/61/520133861.db2.gz OPQUYTFGWUEBSV-PLNGDYQASA-N 0 0 384.288 4.301 50 30 GIEARN CC(Nc1cc(C(=O)c2ccccc2)ccc1N)=C1C(=O)CC(C)(C)CC1=O ZINC000100751431 520173331 /nfs/dbraw/zinc/17/33/31/520173331.db2.gz TXUWUOMQHWSHLI-UHFFFAOYSA-N 0 0 376.456 4.144 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc([N+](=O)[O-])o1 ZINC000100415299 520257999 /nfs/dbraw/zinc/25/79/99/520257999.db2.gz JZXCNYCCKBMIIO-SFHVURJKSA-N 0 0 390.395 4.125 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc([N+](=O)[O-])o1 ZINC000100415305 520258810 /nfs/dbraw/zinc/25/88/10/520258810.db2.gz JZXCNYCCKBMIIO-GOSISDBHSA-N 0 0 390.395 4.125 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000019536398 520496649 /nfs/dbraw/zinc/49/66/49/520496649.db2.gz SHMAOZLVWYHCFU-KRWDZBQOSA-N 0 0 379.378 4.236 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(C)c2O)C1=O ZINC000036257965 520541265 /nfs/dbraw/zinc/54/12/65/520541265.db2.gz UVBRASDFOINHTG-LFIBNONCSA-N 0 0 399.443 4.383 50 30 GIEARN CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000002109485 520855213 /nfs/dbraw/zinc/85/52/13/520855213.db2.gz NUVVZIXMGZWVDB-CJLVFECKSA-N 0 0 382.485 4.331 50 30 GIEARN Cc1ccc2nsnc2c1NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000426526313 534525767 /nfs/dbraw/zinc/52/57/67/534525767.db2.gz WIENPNDXLUQBSY-UHFFFAOYSA-N 0 0 377.473 4.089 50 30 GIEARN CC1CCN(C2=C(Nc3ccc(F)c(F)c3)C(=O)c3ccccc3C2=O)CC1 ZINC000020060350 520992006 /nfs/dbraw/zinc/99/20/06/520992006.db2.gz YDVBOAWUBFQVIK-UHFFFAOYSA-N 0 0 382.410 4.399 50 30 GIEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)O3)CC1 ZINC000020504027 521021698 /nfs/dbraw/zinc/02/16/98/521021698.db2.gz WUVOOJNXHQTYTD-NDENLUEZSA-N 0 0 394.427 4.149 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(O)c(OCC)c1 ZINC000019923515 521026979 /nfs/dbraw/zinc/02/69/79/521026979.db2.gz SWXHWRUUXYKZOL-QRWLVFNGSA-N 0 0 389.492 4.292 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OCC)c1 ZINC000019923521 521170477 /nfs/dbraw/zinc/17/04/77/521170477.db2.gz SWXHWRUUXYKZOL-MGPUTAFESA-N 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GIEARN CN(C)c1ccc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000096765844 522140098 /nfs/dbraw/zinc/14/00/98/522140098.db2.gz HEHMFIDWQXYFAF-XFXZXTDPSA-N 0 0 387.483 4.034 50 30 GIEARN CO/N=C\Cc1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N ZINC000005320070 522737035 /nfs/dbraw/zinc/73/70/35/522737035.db2.gz DBEUQFFXDQVMNJ-DYUKFFQPSA-N 0 0 392.815 4.408 50 30 GIEARN COc1ccc(-c2cc(N=C(NCc3ccccc3)SC)[nH]n2)c(OC)c1 ZINC000020440314 523111769 /nfs/dbraw/zinc/11/17/69/523111769.db2.gz UDMQCAVALUUTLE-UHFFFAOYSA-N 0 0 382.489 4.425 50 30 GIEARN N#CCOc1ccc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1 ZINC000040114895 534697998 /nfs/dbraw/zinc/69/79/98/534697998.db2.gz OWUMSXNJUWXWCA-HNNXBMFYSA-N 0 0 392.484 4.054 50 30 GIEARN COc1ccc(/C=N/n2cnnc2SC)cc1COc1cc(C)ccc1C ZINC000036611391 523458103 /nfs/dbraw/zinc/45/81/03/523458103.db2.gz YDLRBWNTACAKLF-SSDVNMTOSA-N 0 0 382.489 4.087 50 30 GIEARN COc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(O)cc3)cc2[N+](=O)[O-])cc1 ZINC000003089035 523774629 /nfs/dbraw/zinc/77/46/29/523774629.db2.gz 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COc1ccc([C@@H]2C(C(C)=O)=C(Nc3ccccc3)C[C@](C)(O)[C@H]2C(C)=O)cc1 ZINC000013387763 525224337 /nfs/dbraw/zinc/22/43/37/525224337.db2.gz VVHLLIDVSGDNCN-SGNDLWITSA-N 0 0 393.483 4.094 50 30 GIEARN Cc1ccccc1NC(=O)c1ccc(N=NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000004593047 525264762 /nfs/dbraw/zinc/26/47/62/525264762.db2.gz CUGCGTYXPCRTLR-LPYMAVHISA-N 0 0 390.399 4.307 50 30 GIEARN Cc1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1 ZINC000100822966 525267636 /nfs/dbraw/zinc/26/76/36/525267636.db2.gz PTTPDVGSVDDBOJ-UHFFFAOYSA-N 0 0 380.407 4.100 50 30 GIEARN Cc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=N/n1cnnc1 ZINC000002977885 525306003 /nfs/dbraw/zinc/30/60/03/525306003.db2.gz QFZYYSLDFUKJPP-AUEPDCJTSA-N 0 0 391.258 4.233 50 30 GIEARN O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1ccccc1 ZINC000009419904 534848569 /nfs/dbraw/zinc/84/85/69/534848569.db2.gz HRHQPQDCCHTMTE-NDENLUEZSA-N 0 0 396.395 4.210 50 30 GIEARN COc1ccc2c(c1)CC/C(=C/c1cc(Br)c(O)c(OC)c1)C2=O ZINC000013140828 525511180 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50 30 GIEARN CC1N=NC(=S)N1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611092 526376698 /nfs/dbraw/zinc/37/66/98/526376698.db2.gz CYOJEOVTFAFPKI-CNHKJKLMSA-N 0 0 383.260 4.236 50 30 GIEARN N#CC1(NC(=O)CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)CCCCC1 ZINC000071954665 526434356 /nfs/dbraw/zinc/43/43/56/526434356.db2.gz CZCSXFHYZZSLOG-UHFFFAOYSA-N 0 0 380.319 4.300 50 30 GIEARN N#CCC(=O)Nc1ccc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007136068 526442651 /nfs/dbraw/zinc/44/26/51/526442651.db2.gz RQOZTCFMMCPRPH-UHFFFAOYSA-N 0 0 395.802 4.204 50 30 GIEARN N#CCSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344127 526480218 /nfs/dbraw/zinc/48/02/18/526480218.db2.gz BZDBVJXJJMONLU-WDEREUQCSA-N 0 0 385.301 4.203 50 30 GIEARN N#C[C@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000095455105 526506205 /nfs/dbraw/zinc/50/62/05/526506205.db2.gz ZZPFLFOALGXKGW-LBPRGKRZSA-N 0 0 385.880 4.118 50 30 GIEARN C=C(C)CN(CC)C(=O)c1sc2ncnc(NCc3ccccn3)c2c1C ZINC000011913010 526547157 /nfs/dbraw/zinc/54/71/57/526547157.db2.gz 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O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000102503913 526957658 /nfs/dbraw/zinc/95/76/58/526957658.db2.gz DDTANCIXFMLXGD-NHFXJNLRSA-N 0 0 389.382 4.158 50 30 GIEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccccc1O ZINC000033348349 527040539 /nfs/dbraw/zinc/04/05/39/527040539.db2.gz HQWIASVEBSKYDU-NTEUORMPSA-N 0 0 375.247 4.046 50 30 GIEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccccc1Cl ZINC000013729351 527137503 /nfs/dbraw/zinc/13/75/03/527137503.db2.gz NRQPSLLPANMXGV-UHFFFAOYSA-N 0 0 381.888 4.176 50 30 GIEARN O=C(Nc1ccc(-c2ccccc2)cc1)C1=C2Nc3ccccc3N2CCC1=O ZINC000100490636 527137575 /nfs/dbraw/zinc/13/75/75/527137575.db2.gz FIWXVUIXNSAMBX-UHFFFAOYSA-N 0 0 381.435 4.409 50 30 GIEARN Cn1cc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cn1 ZINC000105543409 527144902 /nfs/dbraw/zinc/14/49/02/527144902.db2.gz BDYWLFLGYFNMAY-PBIIAIQQSA-N 0 0 376.504 4.457 50 30 GIEARN Cn1cc(/C=C2/C[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]43)CC2=O)cn1 ZINC000118916365 527145239 /nfs/dbraw/zinc/14/52/39/527145239.db2.gz MEBTWHFCEXALJM-YJJLFRDASA-N 0 0 382.548 4.386 50 30 GIEARN C=CCc1ccccc1OCc1nnc(NC(=O)Nc2cccc(OC)c2)s1 ZINC000008770048 527266563 /nfs/dbraw/zinc/26/65/63/527266563.db2.gz QPWUXGUDIVSIEA-UHFFFAOYSA-N 0 0 396.472 4.498 50 30 GIEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccco1 ZINC000002395054 527337568 /nfs/dbraw/zinc/33/75/68/527337568.db2.gz LVBJYKNNXJCIAH-UHFFFAOYSA-N 0 0 382.489 4.380 50 30 GIEARN Cn1ccnc1COc1ccc(C(=O)/C=C\c2cc(Br)co2)cc1 ZINC000096402110 527437035 /nfs/dbraw/zinc/43/70/35/527437035.db2.gz SXXQURBZHAEMNF-SREVYHEPSA-N 0 0 387.233 4.251 50 30 GIEARN CC(C)C(=O)N1c2ncccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccnc1 ZINC000009482795 527484140 /nfs/dbraw/zinc/48/41/40/527484140.db2.gz LNDLRKUKCKCTRB-FQEVSTJZSA-N 0 0 390.487 4.276 50 30 GIEARN OCC#Cc1csc(-c2c(-c3ccccc3)ncn2Cc2ccc(O)cc2)c1 ZINC000065500841 527521439 /nfs/dbraw/zinc/52/14/39/527521439.db2.gz DAUBRXBGSQGIJJ-UHFFFAOYSA-N 0 0 386.476 4.376 50 30 GIEARN FC(F)(F)CO[C@@](F)(Br)[C@@](F)(Br)C(F)(F)F ZINC000095676697 527672218 /nfs/dbraw/zinc/67/22/18/527672218.db2.gz VUXWJSADJYWRST-IUYQGCFVSA-N 0 0 389.862 4.207 50 30 GIEARN CCCCCCCCCO[C@H]1[C@@H]2OC(C)(C)O[C@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000409413687 528127428 /nfs/dbraw/zinc/12/74/28/528127428.db2.gz RBBZSIFZZRPZPJ-QXCZDIPSSA-N 0 0 386.529 4.150 50 30 GIEARN CCCCCCCCCO[C@H]1[C@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000103008705 528127936 /nfs/dbraw/zinc/12/79/36/528127936.db2.gz RBBZSIFZZRPZPJ-QTMHVTGLSA-N 0 0 386.529 4.150 50 30 GIEARN COc1ccc(NC(=O)CC[C@H]2CCCN(c3cc(C#N)ccn3)C2)cc1Cl ZINC000095520197 536764349 /nfs/dbraw/zinc/76/43/49/536764349.db2.gz BDKGQSVKWGWUSN-OAHLLOKOSA-N 0 0 398.894 4.251 50 30 GIEARN CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2OC)cc1 ZINC000046127893 570210517 /nfs/dbraw/zinc/21/05/17/570210517.db2.gz AAHHRXNVPPSJTB-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN CCc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(F)c2)cc1 ZINC000046128195 570210577 /nfs/dbraw/zinc/21/05/77/570210577.db2.gz ODLUOGAVYAXXMD-UHFFFAOYSA-N 0 0 376.435 4.181 50 30 GIEARN Cc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@@H]2CCCO2)c(C)c1 ZINC000046130024 570211294 /nfs/dbraw/zinc/21/12/94/570211294.db2.gz YLUGHWCHBLXFHS-FQEVSTJZSA-N 0 0 379.504 4.297 50 30 GIEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@@H]2CCCO2)c1 ZINC000046131468 570211979 /nfs/dbraw/zinc/21/19/79/570211979.db2.gz PWXWFHJUXKBHNB-NRFANRHFSA-N 0 0 379.504 4.297 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(Cl)c1 ZINC000000636925 570212508 /nfs/dbraw/zinc/21/25/08/570212508.db2.gz LXEHVFMNCSPGTB-SFHVURJKSA-N 0 0 389.879 4.126 50 30 GIEARN COc1cc2c(cc1NCC(=O)NC1(C#N)CCCCC1)oc1ccccc12 ZINC000011619436 570237879 /nfs/dbraw/zinc/23/78/79/570237879.db2.gz HHLGMBZQSWKESA-UHFFFAOYSA-N 0 0 377.444 4.349 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CC1 ZINC000012803062 570238527 /nfs/dbraw/zinc/23/85/27/570238527.db2.gz WQNWPVNPVFLDOG-LLVKDONJSA-N 0 0 396.438 4.480 50 30 GIEARN Cc1cnc([C@@]2(C#N)Cc3c(C)nn(-c4ccccc4)c3N3CCCC[C@@H]32)s1 ZINC000006084151 570239129 /nfs/dbraw/zinc/23/91/29/570239129.db2.gz DYZRPSUKMHCSGX-DENIHFKCSA-N 0 0 389.528 4.322 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000001166154 570251135 /nfs/dbraw/zinc/25/11/35/570251135.db2.gz WAJGSSZJCWDMNT-DEDYPNTBSA-N 0 0 393.464 4.252 50 30 GIEARN COc1ccc(/C=C2/CCOc3cc(Br)ccc3C2=O)cc1O ZINC000048532266 570252847 /nfs/dbraw/zinc/25/28/47/570252847.db2.gz DZNLZSYACAQABD-WQLSENKSSA-N 0 0 375.218 4.212 50 30 GIEARN O=C(OCC#CCSc1nnc(-c2cccc3ccccc32)o1)c1ccco1 ZINC000002416634 570253110 /nfs/dbraw/zinc/25/31/10/570253110.db2.gz YXJURGPAKADVMT-UHFFFAOYSA-N 0 0 390.420 4.435 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C)cc1 ZINC000002443333 570253451 /nfs/dbraw/zinc/25/34/51/570253451.db2.gz UMHAEJJPQOMSIP-UHFFFAOYSA-N 0 0 382.464 4.309 50 30 GIEARN FC(F)(F)c1ccccc1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000001297670 570260563 /nfs/dbraw/zinc/26/05/63/570260563.db2.gz 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384.686 4.129 50 30 GIEARN Cc1cccc(-n2nnnc2C2(/N=C/c3ccc([N+](=O)[O-])cc3)CCCCC2)c1 ZINC000004380243 570372256 /nfs/dbraw/zinc/37/22/56/570372256.db2.gz XITWUNYSBARHBE-PXLXIMEGSA-N 0 0 390.447 4.157 50 30 GIEARN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1 ZINC000012970056 570374597 /nfs/dbraw/zinc/37/45/97/570374597.db2.gz RQVBEEIFXBDBDM-HXUWFJFHSA-N 0 0 389.407 4.067 50 30 GIEARN CCOc1ccccc1[C@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000004450369 570375380 /nfs/dbraw/zinc/37/53/80/570375380.db2.gz GBJWABJKOOVKKW-XPWALMASSA-N 0 0 383.451 4.076 50 30 GIEARN O=C(/C=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000016389491 570378834 /nfs/dbraw/zinc/37/88/34/570378834.db2.gz PILYXYBOTISOLX-QHHAFSJGSA-N 0 0 390.798 4.120 50 30 GIEARN O=C(NOC(=O)c1c(F)cccc1F)c1sc2cc(F)ccc2c1Cl ZINC000004948789 570379437 /nfs/dbraw/zinc/37/94/37/570379437.db2.gz ASCOJQYPCRXXPZ-UHFFFAOYSA-N 0 0 385.750 4.474 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(OC)c2)C1=O ZINC000004688347 570393246 /nfs/dbraw/zinc/39/32/46/570393246.db2.gz HBRDLVIWHXCECZ-LGMDPLHJSA-N 0 0 381.453 4.239 50 30 GIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 ZINC000004688262 570393266 /nfs/dbraw/zinc/39/32/66/570393266.db2.gz FGOOANPXUIJEAJ-XDHOZWIPSA-N 0 0 377.469 4.469 50 30 GIEARN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(C)n[nH]c1C ZINC000004713671 570397125 /nfs/dbraw/zinc/39/71/25/570397125.db2.gz KJUFIXSCDZLAOW-FESQGUELSA-N 0 0 385.518 4.021 50 30 GIEARN N#C/C(=N/Nc1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000005023440 570400402 /nfs/dbraw/zinc/40/04/02/570400402.db2.gz VBOSTURIRTZNJC-XYGWBWBKSA-N 0 0 390.399 4.395 50 30 GIEARN CC(N=Nc1nn2cnnc2c2ccccc21)c1ccc2c3c(cccc31)CC2 ZINC000005033798 570401992 /nfs/dbraw/zinc/40/19/92/570401992.db2.gz LQBGMGYCZJKMSV-AFUMVMLFSA-N 0 0 378.439 4.365 50 30 GIEARN C[C@@H](OC(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccccc1C#N ZINC000011006463 570426018 /nfs/dbraw/zinc/42/60/18/570426018.db2.gz UBEGKYRIWOONAU-QGZVFWFLSA-N 0 0 384.435 4.333 50 30 GIEARN C/C(=N/N=C1\NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1)c1ccc(F)cc1 ZINC000005048340 570426267 /nfs/dbraw/zinc/42/62/67/570426267.db2.gz BSWUGTZLUADDFH-OLIBUNOHSA-N 0 0 375.856 4.033 50 30 GIEARN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000239135357 570428282 /nfs/dbraw/zinc/42/82/82/570428282.db2.gz LCYJPFJPEFARHS-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1ccc(Cl)cc1Cl ZINC000005215023 570431856 /nfs/dbraw/zinc/43/18/56/570431856.db2.gz HZOCNBQXZIKIBC-VYXQJKENSA-N 0 0 378.284 4.158 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nc(C)nn4[C@H]3c3ccccc3)C2)cc1 ZINC000005345799 570434634 /nfs/dbraw/zinc/43/46/34/570434634.db2.gz PEPJAXGFCKJEHB-VGSWGCGISA-N 0 0 386.455 4.011 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccncc2)cc1 ZINC000005490535 570442166 /nfs/dbraw/zinc/44/21/66/570442166.db2.gz FZXZTJRJSFOOCG-QFIPXVFZSA-N 0 0 398.462 4.211 50 30 GIEARN Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O ZINC000253531305 570445543 /nfs/dbraw/zinc/44/55/43/570445543.db2.gz IMHWUDTYEQIITA-DNEFKTCDSA-N 0 0 380.532 4.306 50 30 GIEARN O=C(C=CNc1ccc(F)cc1F)c1ccc(I)cc1 ZINC000005569374 570446839 /nfs/dbraw/zinc/44/68/39/570446839.db2.gz IAXADPWDBKOFLW-BQYQJAHWSA-N 0 0 385.151 4.378 50 30 GIEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)s1 ZINC000005647722 570449944 /nfs/dbraw/zinc/44/99/44/570449944.db2.gz RPGGPGZOYYGDRI-LZYBPNLTSA-N 0 0 379.308 4.248 50 30 GIEARN CCCCOc1ccc(CNC(=S)N/N=C\c2ccc(O)cc2)cc1Cl ZINC000028615351 570462039 /nfs/dbraw/zinc/46/20/39/570462039.db2.gz ZWOOYDVEBBDNTO-XKZIYDEJSA-N 0 0 391.924 4.223 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006420080 570479601 /nfs/dbraw/zinc/47/96/01/570479601.db2.gz ZOTCMCCDRBTOBP-OAHLLOKOSA-N 0 0 399.491 4.222 50 30 GIEARN CCOc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000006819601 570495510 /nfs/dbraw/zinc/49/55/10/570495510.db2.gz UJZQEUKOFFUNCE-QFBILLFUSA-N 0 0 391.467 4.098 50 30 GIEARN N#CCCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000005213564 570511772 /nfs/dbraw/zinc/51/17/72/570511772.db2.gz LVKBMKSZEVENJC-UHFFFAOYSA-N 0 0 398.875 4.429 50 30 GIEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C/c1ccc(F)cc1 ZINC000032896032 570515083 /nfs/dbraw/zinc/51/50/83/570515083.db2.gz TVKAZVWUPKDJCZ-IXDZKQDKSA-N 0 0 379.431 4.263 50 30 GIEARN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687916 570519571 /nfs/dbraw/zinc/51/95/71/570519571.db2.gz XZWUZEXIZKJSTA-UHFFFAOYSA-N 0 0 383.879 4.088 50 30 GIEARN CCOc1ccc(-n2c(COc3ccccc3C#N)nc3ccccc3c2=O)cc1 ZINC000006653486 570520680 /nfs/dbraw/zinc/52/06/80/570520680.db2.gz QZKLLIGWWILNDU-UHFFFAOYSA-N 0 0 397.434 4.235 50 30 GIEARN C=CCNC(=S)N=NCc1ccc(OCc2ccccc2F)c(OCC)c1 ZINC000005237062 570524308 /nfs/dbraw/zinc/52/43/08/570524308.db2.gz OJIXHHGUOYJLCB-QRVIBDJDSA-N 0 0 387.480 4.199 50 30 GIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CCn3c4ccccc4sc3=O)sc2C1 ZINC000006661742 570525158 /nfs/dbraw/zinc/52/51/58/570525158.db2.gz MDIKJBZPMMKVLN-LBPRGKRZSA-N 0 0 397.525 4.150 50 30 GIEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC ZINC000008426369 570531454 /nfs/dbraw/zinc/53/14/54/570531454.db2.gz FWKVKDCFXJRUGJ-UHFFFAOYSA-N 0 0 394.585 4.456 50 30 GIEARN N#Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)c(F)c1 ZINC000064747366 570531753 /nfs/dbraw/zinc/53/17/53/570531753.db2.gz JFTDJXUCXXXMNE-QGZVFWFLSA-N 0 0 398.344 4.003 50 30 GIEARN CCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(O)c(OC)c1 ZINC000008438730 570532031 /nfs/dbraw/zinc/53/20/31/570532031.db2.gz RMHKWGSOJCGNQY-LJQANCHMSA-N 0 0 375.465 4.046 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl ZINC000008565584 570534463 /nfs/dbraw/zinc/53/44/63/570534463.db2.gz CHCNZKBGTSMEGO-MRXNPFEDSA-N 0 0 384.844 4.439 50 30 GIEARN N#Cc1ccc(/C=C\c2nn(-c3ccc([N+](=O)[O-])cc3)c3c2ccccc3=O)cc1 ZINC000097474709 570541885 /nfs/dbraw/zinc/54/18/85/570541885.db2.gz DAEQOHIJPPDWHV-ZROIWOOFSA-N 0 0 394.390 4.336 50 30 GIEARN Cc1c2ccccc2oc1C(=O)O[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000005310755 570551677 /nfs/dbraw/zinc/55/16/77/570551677.db2.gz CSVBRKGSSOGMCF-MRXNPFEDSA-N 0 0 376.412 4.233 50 30 GIEARN N#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000064818326 570554600 /nfs/dbraw/zinc/55/46/00/570554600.db2.gz AGSBPXZHFBJALH-UHFFFAOYSA-N 0 0 392.846 4.281 50 30 GIEARN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(-c3cccc(C)c3)nn21 ZINC000006732437 570557369 /nfs/dbraw/zinc/55/73/69/570557369.db2.gz FHULWHHAQUPWNR-NRFANRHFSA-N 0 0 386.455 4.284 50 30 GIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(F)cc1 ZINC000004331380 570575139 /nfs/dbraw/zinc/57/51/39/570575139.db2.gz LILMYBZXRRAFTE-AWEZNQCLSA-N 0 0 384.480 4.120 50 30 GIEARN CSCc1ccc(C(=O)C=C2NCCc3cc4c(cc32)OCCCO4)cc1 ZINC000005428062 570590634 /nfs/dbraw/zinc/59/06/34/570590634.db2.gz PVJUWQMWVHFABZ-UYRXBGFRSA-N 0 0 381.497 4.080 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2c(C)onc2-c2ccccc2)c(C#N)c1C ZINC000005473658 570605263 /nfs/dbraw/zinc/60/52/63/570605263.db2.gz PSPAVCNVOJMPPS-UHFFFAOYSA-N 0 0 395.440 4.321 50 30 GIEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N/C(=N/c2ccccc2)S1 ZINC000006816320 570617927 /nfs/dbraw/zinc/61/79/27/570617927.db2.gz FTEJKJUZJUHKHX-CQSZACIVSA-N 0 0 394.283 4.241 50 30 GIEARN COc1cc2ccnc(Cc3cc(OC)c(OC)cc3/C(C)=N/O)c2cc1OC ZINC000012362666 570646143 /nfs/dbraw/zinc/64/61/43/570646143.db2.gz PYOHLHVVJWGAPE-ZMOGYAJESA-N 0 0 396.443 4.058 50 30 biogenic,in-vitro GIEARN C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000005079443 570656734 /nfs/dbraw/zinc/65/67/34/570656734.db2.gz UFHSVXMPQLRCSW-SAAWKEMMSA-N 0 0 385.847 4.488 50 30 GIEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)cc1 ZINC000013628446 570662950 /nfs/dbraw/zinc/66/29/50/570662950.db2.gz WPCAMLZJLKNWCG-WQRHYEAKSA-N 0 0 380.396 4.041 50 30 GIEARN C=CCC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000012433141 570674810 /nfs/dbraw/zinc/67/48/10/570674810.db2.gz CRKSQLXFYFNTBQ-IBGZPJMESA-N 0 0 378.472 4.115 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000005629606 570676183 /nfs/dbraw/zinc/67/61/83/570676183.db2.gz JSVHJSIGHXRTAQ-LLVKDONJSA-N 0 0 379.243 4.130 50 30 GIEARN N#Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1 ZINC000006889579 570683931 /nfs/dbraw/zinc/68/39/31/570683931.db2.gz SBKWBRGHMCWWAF-UHFFFAOYSA-N 0 0 393.447 4.022 50 30 GIEARN COc1cccc(N2OC(=O)[C@@H](c3ccc(Cl)c(Cl)c3)N(C)C2=O)c1 ZINC000058201536 570718761 /nfs/dbraw/zinc/71/87/61/570718761.db2.gz QSPHXWUAAIJLIW-OAHLLOKOSA-N 0 0 381.215 4.073 50 30 GIEARN CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)c(C#N)c1C ZINC000000995704 570744104 /nfs/dbraw/zinc/74/41/04/570744104.db2.gz UJAXTNZZQUUWAC-UHFFFAOYSA-N 0 0 393.262 4.120 50 30 GIEARN N#Cc1cc2c(nc1S[C@@H]1CC(=O)N(c3ccccc3)C1=O)CCCCCC2 ZINC000001009888 570746318 /nfs/dbraw/zinc/74/63/18/570746318.db2.gz ICFGHZXOWGPNCI-LJQANCHMSA-N 0 0 391.496 4.036 50 30 GIEARN COc1cccc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn32)c1O ZINC000013120061 570747389 /nfs/dbraw/zinc/74/73/89/570747389.db2.gz STGHGKZTNYRZTM-YDZHTSKRSA-N 0 0 389.411 4.180 50 30 GIEARN CC(=NN=C1SCC(=O)N1c1ccccc1)c1ccc(Br)cc1 ZINC000001031743 570747767 /nfs/dbraw/zinc/74/77/67/570747767.db2.gz GFGOLMQZWFFIGQ-UHFFFAOYSA-N 0 0 388.290 4.309 50 30 GIEARN COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccc3ccccc23)cc1 ZINC000100866915 570777929 /nfs/dbraw/zinc/77/79/29/570777929.db2.gz UYVLLYAKGNDQCP-BXBPIDJQSA-N 0 0 389.480 4.314 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 ZINC000169692259 570784824 /nfs/dbraw/zinc/78/48/24/570784824.db2.gz SKZAEPYYNKXXRD-ZLNRFVROSA-N 0 0 381.447 4.224 50 30 GIEARN C=C(C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)[C@@H](CCc3cccc(OC)c3)[C@@]2(O)C1 ZINC000261491436 570789577 /nfs/dbraw/zinc/78/95/77/570789577.db2.gz YMVWTIQGAXVLGB-MUYKOIAZSA-N 0 0 381.516 4.470 50 30 GIEARN CCOc1ccc(/N=C2/c3ccccc3N(CN3CCC(C)CC3)C2=O)cc1 ZINC000004474206 570798525 /nfs/dbraw/zinc/79/85/25/570798525.db2.gz IAKDHSWLAAVEMT-GYHWCHFESA-N 0 0 377.488 4.242 50 30 GIEARN N#Cc1c2c(sc1NC(=O)[C@H]1CC(c3ccccc3Cl)=NO1)CCCC2 ZINC000004504957 570819480 /nfs/dbraw/zinc/81/94/80/570819480.db2.gz JVMIQOXWHPFJPY-MRXNPFEDSA-N 0 0 385.876 4.284 50 30 GIEARN CCc1ccc(/N=C2/S/C(=C/c3ccccc3OCC#N)C(=O)N2C)cc1 ZINC000004679476 570825790 /nfs/dbraw/zinc/82/57/90/570825790.db2.gz LLLDVKSMWHMKAQ-QSAWGAGVSA-N 0 0 377.469 4.385 50 30 GIEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(Cl)cc2)cc1 ZINC000004516914 570832722 /nfs/dbraw/zinc/83/27/22/570832722.db2.gz YSBBSNONSGBKMZ-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN C[C@H](Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)C(=O)NC1CC1 ZINC000007359606 570833349 /nfs/dbraw/zinc/83/33/49/570833349.db2.gz FKSGZGYEPAAAIF-VIFPVBQESA-N 0 0 397.447 4.460 50 30 GIEARN COc1ccc(-c2nc(COC(=O)c3cccc(C#N)c3)cs2)cc1OC ZINC000007395392 570837047 /nfs/dbraw/zinc/83/70/47/570837047.db2.gz HIWLUDLUMWRRQM-UHFFFAOYSA-N 0 0 380.425 4.056 50 30 GIEARN C[C@@H]1CCc2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143001 570843068 /nfs/dbraw/zinc/84/30/68/570843068.db2.gz QGYLHWXOPWRVQH-QGZVFWFLSA-N 0 0 393.556 4.093 50 30 GIEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1nc3ccccc3[nH]1)[C@H]1CCCN21 ZINC000102346425 570846045 /nfs/dbraw/zinc/84/60/45/570846045.db2.gz YJIXINHNAUQTTF-QPPBQGQZSA-N 0 0 394.482 4.044 50 30 GIEARN C=CCNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000003280137 570848329 /nfs/dbraw/zinc/84/83/29/570848329.db2.gz MKDXBOCLPDGBOS-UHFFFAOYSA-N 0 0 387.501 4.458 50 30 aggregator GIEARN CCCCOc1ccc(C2=Nc3ncnn3/C2=N/Cc2ccccc2OC)cc1 ZINC000102651060 570855534 /nfs/dbraw/zinc/85/55/34/570855534.db2.gz VPZHDPSLCGULRO-XTQSDGFTSA-N 0 0 389.459 4.047 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(Br)cc1 ZINC000012552321 570856335 /nfs/dbraw/zinc/85/63/35/570856335.db2.gz GANHFUSIKWPIIC-UHFFFAOYSA-N 0 0 377.241 4.496 50 30 GIEARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1sccc1C#N ZINC000007538339 570872072 /nfs/dbraw/zinc/87/20/72/570872072.db2.gz HKEUCHYBCLFKMO-LBPRGKRZSA-N 0 0 395.513 4.197 50 30 GIEARN COc1ccc(NC=C2C(=O)CC(c3cccc(Cl)c3)CC2=O)cc1OC ZINC000003637907 570879676 /nfs/dbraw/zinc/87/96/76/570879676.db2.gz LIIOSJBFPBWTRL-UHFFFAOYSA-N 0 0 385.847 4.369 50 30 GIEARN N#CCC(=O)Nc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1 ZINC000007564419 570884644 /nfs/dbraw/zinc/88/46/44/570884644.db2.gz OVXXIYAMCYPTEW-UHFFFAOYSA-N 0 0 377.425 4.019 50 30 GIEARN CCOC(=O)c1nc(CSc2nc(C)cc(C(F)(F)F)c2C#N)cs1 ZINC000042153146 570886060 /nfs/dbraw/zinc/88/60/60/570886060.db2.gz GITWIBOUCMOOML-UHFFFAOYSA-N 0 0 387.408 4.206 50 30 GIEARN COc1ccc(NC=C(C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 ZINC000103655355 570887727 /nfs/dbraw/zinc/88/77/27/570887727.db2.gz MEUTUUMOAUHYSG-LFIBNONCSA-N 0 0 379.334 4.014 50 30 GIEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)NCCC3(O)CCCC3)cc2)n1 ZINC000584899829 570892929 /nfs/dbraw/zinc/89/29/29/570892929.db2.gz GZPLRDIPIRFRKL-UHFFFAOYSA-N 0 0 377.488 4.169 50 30 GIEARN O=C(Nc1ccccc1)c1ccc(CON=C2CCC3(CC2)OCCO3)cc1 ZINC000071817044 570893583 /nfs/dbraw/zinc/89/35/83/570893583.db2.gz LNXUADHZVXXERS-UHFFFAOYSA-N 0 0 380.444 4.129 50 30 GIEARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C#N)c1 ZINC000023054879 570895257 /nfs/dbraw/zinc/89/52/57/570895257.db2.gz ULAPGXOKQVTMGR-UHFFFAOYSA-N 0 0 380.835 4.314 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3cccc(OC)c3)c2)c1 ZINC000032905880 570906399 /nfs/dbraw/zinc/90/63/99/570906399.db2.gz CCSCDECWQKWANT-UHFFFAOYSA-N 0 0 399.446 4.063 50 30 GIEARN N#Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000004072650 570929899 /nfs/dbraw/zinc/92/98/99/570929899.db2.gz PJJLYMXVUGRSEA-UHFFFAOYSA-N 0 0 384.804 4.496 50 30 GIEARN C#CCOc1ccccc1CN(C)C(=O)NCC1(c2cccs2)CCCC1 ZINC000072270207 570970835 /nfs/dbraw/zinc/97/08/35/570970835.db2.gz DWDMHINGVRRDTF-UHFFFAOYSA-N 0 0 382.529 4.414 50 30 GIEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)c1 ZINC000046131449 570987973 /nfs/dbraw/zinc/98/79/73/570987973.db2.gz SOAVSZIRNXJONN-LJQANCHMSA-N 0 0 385.895 4.334 50 30 GIEARN CCCCC(=O)Nc1sc2c(c1C(=O)OCC)CCC(C=NO)=C2Cl ZINC000252588822 570997752 /nfs/dbraw/zinc/99/77/52/570997752.db2.gz AEIPRVSMLYGFSI-UHFFFAOYSA-N 0 0 384.885 4.410 50 30 GIEARN COc1ccc(C(=O)c2sc(Nc3ccccc3)c(C#N)c2N)cc1OC ZINC000001423556 570999361 /nfs/dbraw/zinc/99/93/61/570999361.db2.gz AVZKZAPJUCREFF-UHFFFAOYSA-N 0 0 379.441 4.194 50 30 GIEARN C=C(C)COc1ccccc1[C@@H]1CC(=O)Nc2cc(NC(C)=O)c(OC)cc21 ZINC000065394984 571000297 /nfs/dbraw/zinc/00/02/97/571000297.db2.gz XSDQDXQWVJNLKJ-INIZCTEOSA-N 0 0 380.444 4.083 50 30 GIEARN N#Cc1cc([N+](=O)[O-])c(-n2c3ccccc3c3nc4ccccc4nc32)cc1C#N ZINC000001426354 571000727 /nfs/dbraw/zinc/00/07/27/571000727.db2.gz DAAZIKKSKGAXIK-UHFFFAOYSA-N 0 0 390.362 4.378 50 30 GIEARN O=c1c2ccccc2nc(-c2ccco2)n1N=Cc1c(O)ccc2ccccc21 ZINC000252614474 571017679 /nfs/dbraw/zinc/01/76/79/571017679.db2.gz JJZROHYNNNNKRM-UHFFFAOYSA-N 0 0 381.391 4.398 50 30 GIEARN O=C(CON=C1CCC2(CC1)OCCO2)N(C1CCCCC1)C1CCCCC1 ZINC000084543956 571022557 /nfs/dbraw/zinc/02/25/57/571022557.db2.gz LRFZLGDPMWLVLD-UHFFFAOYSA-N 0 0 392.540 4.170 50 30 GIEARN C[C@H]1C[C@@H](Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C(=O)O1 ZINC000084686122 571030689 /nfs/dbraw/zinc/03/06/89/571030689.db2.gz WVDMZXPOJJZHID-ISVAXAHUSA-N 0 0 384.404 4.497 50 30 GIEARN COc1ccc(/C=C2/SC(=NN=Cc3ccc(C(C)C)cc3)NC2=O)cc1 ZINC000252621202 571033573 /nfs/dbraw/zinc/03/35/73/571033573.db2.gz MVEMNPHEBQPCMW-OPFQMUROSA-N 0 0 379.485 4.413 50 30 GIEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3cc(Cl)cc(Cl)c3)sc2C1 ZINC000004275237 571040715 /nfs/dbraw/zinc/04/07/15/571040715.db2.gz MHNCOKBNYRLEKH-UHFFFAOYSA-N 0 0 394.283 4.083 50 30 GIEARN C=CCc1ccc(OCCOCCOc2cccc3cccnc32)c(OC)c1 ZINC000004701986 571042356 /nfs/dbraw/zinc/04/23/56/571042356.db2.gz NFLQBODKSCLNMI-UHFFFAOYSA-N 0 0 379.456 4.446 50 30 GIEARN C=CCn1nnnc1NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000006856382 571045891 /nfs/dbraw/zinc/04/58/91/571045891.db2.gz VJUNKLKFFLRZOC-UHFFFAOYSA-N 0 0 389.434 4.343 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1ccncc1)C3)C(=O)/C(=C\c1ccccc1)O2 ZINC000057165166 823257261 /nfs/dbraw/zinc/25/72/61/823257261.db2.gz JDAURVOFKYDRAO-SRZZPIQSSA-N 0 0 384.435 4.358 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C)cc1 ZINC000002454332 817389815 /nfs/dbraw/zinc/38/98/15/817389815.db2.gz OVMBOJOOCJEXLY-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN O=C(N/C=N/O)[C@H](c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000003125356 817418129 /nfs/dbraw/zinc/41/81/29/817418129.db2.gz YMSBYEPYWWDKMQ-GFCCVEGCSA-N 0 0 392.164 4.073 50 30 GIEARN COCCNc1nc(-c2ccccn2)nc(-c2cccc(C(F)(F)F)c2)c1C#N ZINC000003133819 817418861 /nfs/dbraw/zinc/41/88/61/817418861.db2.gz HULQAMKALOXMRI-UHFFFAOYSA-N 0 0 399.376 4.154 50 30 GIEARN CC(C)=Cc1ccc(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000003186172 817420309 /nfs/dbraw/zinc/42/03/09/817420309.db2.gz UEVSUCCTMUPZCV-UHFFFAOYSA-N 0 0 376.437 4.458 50 30 GIEARN CCCCC[C@H](CC)N(CNC(=O)CC)c1nc2ccccc2nc1CC#N ZINC000003197459 817421081 /nfs/dbraw/zinc/42/10/81/817421081.db2.gz VDIMCKVRZIIMGE-KRWDZBQOSA-N 0 0 381.524 4.345 50 30 GIEARN N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccccc3F)s2)cc1 ZINC000003351823 817441348 /nfs/dbraw/zinc/44/13/48/817441348.db2.gz VMLXWRBJUMQOLL-UHFFFAOYSA-N 0 0 384.461 4.022 50 30 GIEARN CCN(CC)c1nc2nc(C)nc3[nH]c4c(c(c1C#N)c23)C[C@H](c1ccccc1)O4 ZINC000003358609 817441743 /nfs/dbraw/zinc/44/17/43/817441743.db2.gz OJEAXBBAZLYBOG-QGZVFWFLSA-N 0 0 398.470 4.209 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004061030 817500144 /nfs/dbraw/zinc/50/01/44/817500144.db2.gz MQXLSSHNODEDQZ-IRLDBZIGSA-N 0 0 381.447 4.211 50 30 GIEARN CCc1ccccc1NN=C(C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000004175475 817508065 /nfs/dbraw/zinc/50/80/65/817508065.db2.gz GVORLNBMMRVUQO-LFVJCYFKSA-N 0 0 376.441 4.441 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4cccc(Cl)c4)nn3[C@@H](c3ccc(O)cc3)C12 ZINC000004279854 817516223 /nfs/dbraw/zinc/51/62/23/817516223.db2.gz BJFVUHCICJZWFF-IBGZPJMESA-N 0 0 392.846 4.326 50 30 GIEARN N#Cc1ccc(C(=O)/C=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC000006047529 817644113 /nfs/dbraw/zinc/64/41/13/817644113.db2.gz YJUMYSNGAKHULA-XBXARRHUSA-N 0 0 388.408 4.304 50 30 GIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC[C@@H](C(F)(F)F)C2)c1C#N ZINC000057380588 823285395 /nfs/dbraw/zinc/28/53/95/823285395.db2.gz YHOHIAYMVXVVOZ-OAHLLOKOSA-N 0 0 396.457 4.305 50 30 GIEARN N#Cc1c(Cl)cccc1N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000057369393 823283567 /nfs/dbraw/zinc/28/35/67/823283567.db2.gz VYWFKQNDWHLRJD-UHFFFAOYSA-N 0 0 376.287 4.066 50 30 GIEARN N#Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 ZINC000008000865 817978645 /nfs/dbraw/zinc/97/86/45/817978645.db2.gz OASMXVYSHPSWHN-HXUWFJFHSA-N 0 0 379.510 4.267 50 30 GIEARN CCc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 ZINC000008058008 817990350 /nfs/dbraw/zinc/99/03/50/817990350.db2.gz NGGRCGYRPFNJHA-HXUWFJFHSA-N 0 0 382.510 4.250 50 30 GIEARN COC(=O)c1sc(NC(=O)C#Cc2ccccc2)c2c1-c1ccccc1CC2 ZINC000008205559 818017948 /nfs/dbraw/zinc/01/79/48/818017948.db2.gz AKAYJDRLCQDJHZ-UHFFFAOYSA-N 0 0 387.460 4.291 50 30 GIEARN C=CCOc1ccc(/C=C/C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)cc1 ZINC000012552175 818166819 /nfs/dbraw/zinc/16/68/19/818166819.db2.gz UMKGQWKBZKOSOL-RUCTVCJSSA-N 0 0 391.446 4.043 50 30 GIEARN N#Cc1ccc(CSc2nnc(-c3ccncc3)n2CC(F)(F)F)cc1 ZINC000058223849 823369733 /nfs/dbraw/zinc/36/97/33/823369733.db2.gz MLLAKADZMQQBNI-UHFFFAOYSA-N 0 0 375.379 4.066 50 30 GIEARN CC(C)[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000058251680 823371643 /nfs/dbraw/zinc/37/16/43/823371643.db2.gz IOJBGBGFBFPQIV-HXUWFJFHSA-N 0 0 396.491 4.405 50 30 GIEARN Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CCCCC1 ZINC000040082957 821133372 /nfs/dbraw/zinc/13/33/72/821133372.db2.gz OPXAPBITOGHDMK-UHFFFAOYSA-N 0 0 392.547 4.365 50 30 GIEARN O=C(CON=C1CCC2(CC1)OCCO2)Nc1ccc(Oc2ccccc2)cc1 ZINC000040119637 821141735 /nfs/dbraw/zinc/14/17/35/821141735.db2.gz LPDCUYBOMUHSAI-UHFFFAOYSA-N 0 0 396.443 4.107 50 30 GIEARN N#CC1(NC(=O)CNc2cc(Cl)c(OC(F)F)c(Cl)c2)CCCCC1 ZINC000040149507 821149846 /nfs/dbraw/zinc/14/98/46/821149846.db2.gz 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C/C(=N\N1CCN(Cc2ccc(C)cc2)CC1)c1cccc(Br)c1 ZINC000019593987 518459379 /nfs/dbraw/zinc/45/93/79/518459379.db2.gz STTPHRAAXPBHOX-OQKWZONESA-N 0 0 386.337 4.299 50 30 GIEARN C=C(C)COc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000005747260 518620748 /nfs/dbraw/zinc/62/07/48/518620748.db2.gz CMRHQQMOQFXVLT-YVLHZVERSA-N 0 0 378.384 4.203 50 30 GIEARN C=CCN(Cc1ccccn1)C(=O)c1csc2nc(-c3cccc(F)c3)cn12 ZINC000067842764 518788523 /nfs/dbraw/zinc/78/85/23/518788523.db2.gz RAMUYQKCDMLWGV-UHFFFAOYSA-N 0 0 392.459 4.425 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)[C@H](C)Oc1ccccc1 ZINC000006758069 518797479 /nfs/dbraw/zinc/79/74/79/518797479.db2.gz SLEYFTHGBDSJAN-HNNXBMFYSA-N 0 0 397.862 4.372 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(Cl)c1 ZINC000007720354 518797669 /nfs/dbraw/zinc/79/76/69/518797669.db2.gz USUXQSKRNWGCNB-UHFFFAOYSA-N 0 0 383.835 4.227 50 30 GIEARN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2SCCC#N)CC1 ZINC000095953601 518800166 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C=CCOc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)cs2)cc1OC ZINC000034712245 519007814 /nfs/dbraw/zinc/00/78/14/519007814.db2.gz LJIGBGZFZRFLKL-UHFFFAOYSA-N 0 0 398.459 4.453 50 30 GIEARN C=CCSc1nnc(NC(=O)CSc2nc3ccccc3s2)s1 ZINC000002871749 519086745 /nfs/dbraw/zinc/08/67/45/519086745.db2.gz OSTOYKQTVKOIDZ-UHFFFAOYSA-N 0 0 380.545 4.157 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(F)cc1 ZINC000002347187 519226445 /nfs/dbraw/zinc/22/64/45/519226445.db2.gz ROOCLUMOWNBOSE-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN C=CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(OC)c(OC)c1 ZINC000004345254 519243953 /nfs/dbraw/zinc/24/39/53/519243953.db2.gz WBRSKIGJADKVNB-UHFFFAOYSA-N 0 0 392.484 4.312 50 30 GIEARN C=CCn1c2ccc(NS(=O)(=O)c3cccc(Cl)c3C)cc2sc1=O ZINC000046017743 519262934 /nfs/dbraw/zinc/26/29/34/519262934.db2.gz MLOVWUZDDHXUDF-UHFFFAOYSA-N 0 0 394.905 4.012 50 30 GIEARN C=CCn1c2ccccc2nc1SCC(=O)c1cc(C)n(CCOC)c1C ZINC000005618871 519268795 /nfs/dbraw/zinc/26/87/95/519268795.db2.gz PYSSJOBIVIYCNP-UHFFFAOYSA-N 0 0 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GIEARN CCOc1ccc(-c2csc(N=NCc3ccc(OC)cc3OC)n2)cc1 ZINC000005593087 520811517 /nfs/dbraw/zinc/81/15/17/520811517.db2.gz FWMMBIDUAVSZGZ-CIAFOILYSA-N 0 0 383.473 4.094 50 30 GIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000019536329 520815435 /nfs/dbraw/zinc/81/54/35/520815435.db2.gz OMTLPFOXLUOKRQ-OAQYLSRUSA-N 0 0 383.488 4.393 50 30 GIEARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 ZINC000019775020 520821905 /nfs/dbraw/zinc/82/19/05/520821905.db2.gz KYKSDGPJNNCXRH-IBGZPJMESA-N 0 0 375.415 4.132 50 30 GIEARN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016741704 520862672 /nfs/dbraw/zinc/86/26/72/520862672.db2.gz MHJBXFRQFFOZPT-SFHVURJKSA-N 0 0 385.847 4.385 50 30 GIEARN CCCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1 ZINC000002351080 520875073 /nfs/dbraw/zinc/87/50/73/520875073.db2.gz GUHIBNZAPZWUKQ-UHFFFAOYSA-N 0 0 395.528 4.296 50 30 GIEARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CCC#N)nc1-c1ccc(F)cc1 ZINC000100148377 520896771 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GIEARN CCCc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=[NH+]CCc1ccccc1 ZINC000103342139 521557304 /nfs/dbraw/zinc/55/73/04/521557304.db2.gz WPHFHXBUYDHJPT-PXLXIMEGSA-N 0 0 378.432 4.100 50 30 GIEARN COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OC(C)C ZINC000000940352 522005290 /nfs/dbraw/zinc/00/52/90/522005290.db2.gz KLXSLFCBAKOLFV-WSDLNYQXSA-N 0 0 382.489 4.248 50 30 GIEARN COc1cc(C(=O)/C=C/c2cc(Br)ccc2O)cc(OC)c1OC ZINC000095100015 522050422 /nfs/dbraw/zinc/05/04/22/522050422.db2.gz GCHMDQZQBUMMIB-GQCTYLIASA-N 0 0 393.233 4.077 50 30 GIEARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N ZINC000003219487 523060726 /nfs/dbraw/zinc/06/07/26/523060726.db2.gz CVDBBSLNQKCOGP-UHFFFAOYSA-N 0 0 394.814 4.169 50 30 GIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1 ZINC000018116483 523187050 /nfs/dbraw/zinc/18/70/50/523187050.db2.gz RMOCVIDOFRGKJJ-NRFANRHFSA-N 0 0 380.444 4.069 50 30 GIEARN CCn1c2ccccc2nc1SCC(=O)N(CCC#N)c1ccccc1F ZINC000006652766 523286273 /nfs/dbraw/zinc/28/62/73/523286273.db2.gz 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COc1ccccc1/C=N/N=C1/SCC(=O)N1Cc1cccc2ccccc21 ZINC000031892829 524324928 /nfs/dbraw/zinc/32/49/28/524324928.db2.gz LQPLQKVUNNXXMT-BXBPIDJQSA-N 0 0 389.480 4.314 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)n1 ZINC000102486724 524531396 /nfs/dbraw/zinc/53/13/96/524531396.db2.gz AHLODUKJSKXMHH-SELCWUDQSA-N 0 0 376.437 4.078 50 30 GIEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000102816822 525456589 /nfs/dbraw/zinc/45/65/89/525456589.db2.gz CFTCDKNEDQKUAH-OEAKJJBVSA-N 0 0 399.410 4.405 50 30 GIEARN Cc1ccc(S(=O)(=O)/N=C2/c3ccccc3C(=O)C(Cl)=C2Cl)cc1 ZINC000018067758 525483990 /nfs/dbraw/zinc/48/39/90/525483990.db2.gz UENRPKAVKZDMBQ-SILNSSARSA-N 0 0 380.252 4.059 50 30 GIEARN C[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000033371462 525620844 /nfs/dbraw/zinc/62/08/44/525620844.db2.gz XXUNRUDGXWNTFM-AKGMTCMXSA-N 0 0 375.856 4.333 50 30 GIEARN Cc1ccc(-c2nn(CCC#N)cc2C=CC(=O)OCC(=O)c2ccccc2)cc1 ZINC000096839644 525841152 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GIEARN O=C(c1ccco1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1 ZINC000000796011 570335966 /nfs/dbraw/zinc/33/59/66/570335966.db2.gz XZVHHHDPBRHFSC-GOSISDBHSA-N 0 0 379.437 4.162 50 30 GIEARN N#Cc1ccnc(O[C@@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000575613353 570338487 /nfs/dbraw/zinc/33/84/87/570338487.db2.gz PVWUBOJDSAGOTL-MRXNPFEDSA-N 0 0 390.365 4.047 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006265787 570353549 /nfs/dbraw/zinc/35/35/49/570353549.db2.gz TVDJKDSTBJAALB-LJQANCHMSA-N 0 0 392.411 4.230 50 30 GIEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004194158 570362330 /nfs/dbraw/zinc/36/23/30/570362330.db2.gz GHYBVHDJMHODHH-HNNXBMFYSA-N 0 0 381.501 4.001 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1cccc(OC)c1OC ZINC000004918612 570365707 /nfs/dbraw/zinc/36/57/07/570365707.db2.gz RPXJXVSRNFJRSB-GHTZIAJQSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1F ZINC000004919781 570366021 /nfs/dbraw/zinc/36/60/21/570366021.db2.gz AOJZKMAORMLFPH-VGOFRKELSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(F)cc1 ZINC000004919813 570366154 /nfs/dbraw/zinc/36/61/54/570366154.db2.gz OFZVLNOPNSRDNE-XMSQKQJNSA-N 0 0 398.430 4.162 50 30 GIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12 ZINC000004385544 570372764 /nfs/dbraw/zinc/37/27/64/570372764.db2.gz KJRSDWVJNUQKFH-OYHNWAKOSA-N 0 0 382.423 4.440 50 30 GIEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccc1 ZINC000004629642 570388761 /nfs/dbraw/zinc/38/87/61/570388761.db2.gz PYEXRWGZYDPETI-GOSISDBHSA-N 0 0 385.485 4.142 50 30 GIEARN CC[C@H]1S/C(=N/N=C/c2ccc(C)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000005025686 570399633 /nfs/dbraw/zinc/39/96/33/570399633.db2.gz HDKRICRDGRISIS-OJIBODITSA-N 0 0 381.501 4.248 50 30 GIEARN C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025326841 570411050 /nfs/dbraw/zinc/41/10/50/570411050.db2.gz QSKSMRTWUDKMPO-BEFAXECRSA-N 0 0 389.952 4.500 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000005062166 570427639 /nfs/dbraw/zinc/42/76/39/570427639.db2.gz RTTWRWIZRSKYNI-HXUWFJFHSA-N 0 0 395.455 4.082 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccccc1F ZINC000244866426 570434023 /nfs/dbraw/zinc/43/40/23/570434023.db2.gz VWBAYPZVCVNMJW-VABKMULXSA-N 0 0 381.447 4.224 50 30 GIEARN COc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000005595686 570448365 /nfs/dbraw/zinc/44/83/65/570448365.db2.gz DXZRCSWCYVZROO-OAQYLSRUSA-N 0 0 385.419 4.478 50 30 GIEARN N#Cc1ccsc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000032957697 570451477 /nfs/dbraw/zinc/45/14/77/570451477.db2.gz FWDOFJPTWUOMRY-UHFFFAOYSA-N 0 0 388.452 4.187 50 30 GIEARN Cc1ccc(CN2C(=O)/C(=C/c3ccccc3OCC#N)SC2=S)cc1 ZINC000006502003 570459218 /nfs/dbraw/zinc/45/92/18/570459218.db2.gz PLMBZUUIZLSZII-PDGQHHTCSA-N 0 0 380.494 4.299 50 30 GIEARN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000006658598 570486143 /nfs/dbraw/zinc/48/61/43/570486143.db2.gz GMLFDFZNFDVYMF-QKKBWIMNSA-N 0 0 392.409 4.280 50 30 GIEARN CC[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138178029 570486227 /nfs/dbraw/zinc/48/62/27/570486227.db2.gz XHWQPGMAHKBRBX-NCCMNSNASA-N 0 0 384.392 4.135 50 30 GIEARN CCSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000006677840 570487604 /nfs/dbraw/zinc/48/76/04/570487604.db2.gz WIWAZQPWBVYDOO-SFHVURJKSA-N 0 0 397.548 4.114 50 30 GIEARN C[C@@H](CO)[C@H](Nc1ncc(C#N)cc1Cl)c1ccc(Br)cc1 ZINC000225606910 570491383 /nfs/dbraw/zinc/49/13/83/570491383.db2.gz DJCOHSGBTJBDRN-BONVTDFDSA-N 0 0 380.673 4.151 50 30 GIEARN CC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C(C)(C)C)cc1 ZINC000005174393 570492461 /nfs/dbraw/zinc/49/24/61/570492461.db2.gz JYFZCGDJUZXWGL-HYARGMPZSA-N 0 0 378.436 4.309 50 30 GIEARN COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2 ZINC000006819475 570495322 /nfs/dbraw/zinc/49/53/22/570495322.db2.gz YSZDTRPWHZUCRA-CZUORRHYSA-N 0 0 381.859 4.353 50 30 GIEARN CCOc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1 ZINC000006819769 570495927 /nfs/dbraw/zinc/49/59/27/570495927.db2.gz ZSAYYKPKXZVFKW-YLJYHZDGSA-N 0 0 391.467 4.098 50 30 GIEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCC ZINC000008426367 570531565 /nfs/dbraw/zinc/53/15/65/570531565.db2.gz GFTIPEQCXPZETN-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCc1ccccc1NC(=O)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000003068171 570534020 /nfs/dbraw/zinc/53/40/20/570534020.db2.gz JVAINVDIOUPPNZ-ZDUSSCGKSA-N 0 0 395.221 4.382 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4cccc(O)c4)nn3[C@H](c3ccccc3Cl)C12 ZINC000006732497 570557180 /nfs/dbraw/zinc/55/71/80/570557180.db2.gz XFHDWEFUXFCEJF-LJQANCHMSA-N 0 0 392.846 4.326 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4C)nc3c2[C@@H]1c1ccco1 ZINC000005347062 570562048 /nfs/dbraw/zinc/56/20/48/570562048.db2.gz AHWSHFYYFOVSLQ-GOSISDBHSA-N 0 0 386.411 4.080 50 30 GIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(O)cc1 ZINC000004331409 570575269 /nfs/dbraw/zinc/57/52/69/570575269.db2.gz PQSJYLBARRUNCE-HNNXBMFYSA-N 0 0 396.516 4.077 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C)cc1 ZINC000225506928 570581358 /nfs/dbraw/zinc/58/13/58/570581358.db2.gz JOFWFVCZYOQVJA-FPOVZHCZSA-N 0 0 379.412 4.223 50 30 GIEARN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 ZINC000005408127 570585888 /nfs/dbraw/zinc/58/58/88/570585888.db2.gz JLSBZQASOQFPNG-GOSISDBHSA-N 0 0 385.847 4.280 50 30 GIEARN COc1cc(OC)c(OC)cc1CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000005518415 570622270 /nfs/dbraw/zinc/62/22/70/570622270.db2.gz YFJAOVWLJKZVFM-AUEPDCJTSA-N 0 0 398.488 4.042 50 30 GIEARN OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000044005882 570631095 /nfs/dbraw/zinc/63/10/95/570631095.db2.gz ISIIJJQHILZBPB-UHFFFAOYSA-N 0 0 382.091 4.056 50 30 GIEARN COc1ccc(Cn2c(SCC#N)nc3c4ccccc4sc3c2=O)cc1 ZINC000004598510 570631575 /nfs/dbraw/zinc/63/15/75/570631575.db2.gz IHDTXXFIKZSXRS-UHFFFAOYSA-N 0 0 393.493 4.284 50 30 GIEARN Cn1c(CCc2ccccc2NC(=O)c2ccc(C#N)cc2)nc2ccccc21 ZINC000033019784 570645737 /nfs/dbraw/zinc/64/57/37/570645737.db2.gz XQYHTHQFUCYMGV-UHFFFAOYSA-N 0 0 380.451 4.482 50 30 GIEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc2c(c1)OCO2 ZINC000012406412 570653511 /nfs/dbraw/zinc/65/35/11/570653511.db2.gz BXNFOBNRWXOKDB-WIUPITTCSA-N 0 0 378.428 4.177 50 30 GIEARN C[C@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000006421049 570670473 /nfs/dbraw/zinc/67/04/73/570670473.db2.gz VASRJIHSDTWQOQ-XEHSLEBBSA-N 0 0 388.345 4.161 50 30 GIEARN C=CCc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1O ZINC000109911142 570671207 /nfs/dbraw/zinc/67/12/07/570671207.db2.gz FNWIVNVUFYRHHX-YVLHZVERSA-N 0 0 398.846 4.270 50 30 GIEARN N#Cc1c(COc2ccccc2C(=O)NCc2ccccc2)cn2ccccc12 ZINC000036398288 570683066 /nfs/dbraw/zinc/68/30/66/570683066.db2.gz AWUKNTVTBIKWBZ-UHFFFAOYSA-N 0 0 381.435 4.320 50 30 GIEARN CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC)c2)cc1 ZINC000005793611 570690782 /nfs/dbraw/zinc/69/07/82/570690782.db2.gz YHHBSEDKSPYBJT-KGENOOAVSA-N 0 0 381.505 4.345 50 30 GIEARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1 ZINC000006946479 570716257 /nfs/dbraw/zinc/71/62/57/570716257.db2.gz SMDFSCIKJOGUTH-HNNXBMFYSA-N 0 0 399.450 4.027 50 30 GIEARN O=C1C(=O)N(c2cccc(Br)c2)[C@H](c2ccccc2)C1=C(O)C1CC1 ZINC000058306423 570725923 /nfs/dbraw/zinc/72/59/23/570725923.db2.gz GMYGHBCNCGVTTN-QGZVFWFLSA-N 0 0 398.256 4.328 50 30 GIEARN O=C1C(=O)N(c2cccc(Br)c2)[C@@H](c2ccccc2)C1=C(O)C1CC1 ZINC000058306425 570725984 /nfs/dbraw/zinc/72/59/84/570725984.db2.gz GMYGHBCNCGVTTN-KRWDZBQOSA-N 0 0 398.256 4.328 50 30 GIEARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C1C(=O)CCCC1=N2 ZINC000004436117 570767663 /nfs/dbraw/zinc/76/76/63/570767663.db2.gz MYVHBNPLGMSIOC-AWEZNQCLSA-N 0 0 381.288 4.329 50 30 GIEARN Cc1c2c(nc(SCC(=O)N3CCC[C@@H]3c3cccs3)c1C#N)CCC2 ZINC000032724165 570769124 /nfs/dbraw/zinc/76/91/24/570769124.db2.gz VHDLBKWJSYCDOA-QGZVFWFLSA-N 0 0 383.542 4.268 50 30 GIEARN Cc1ccccc1C[C@H]1S/C(=N/c2ccc(Br)cc2)NC1=O ZINC000005813326 570775155 /nfs/dbraw/zinc/77/51/55/570775155.db2.gz WCRQXHHNADAHMP-OAHLLOKOSA-N 0 0 375.291 4.219 50 30 GIEARN CCN(CC)C(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)ccc1C#N ZINC000004457565 570785453 /nfs/dbraw/zinc/78/54/53/570785453.db2.gz FGGNXEQHUWGOJJ-UHFFFAOYSA-N 0 0 383.561 4.382 50 30 GIEARN CCN(CC)C(=O)[C@H](Sc1nc(C)c(C(C)=O)cc1C#N)c1ccccc1 ZINC000032741628 570787134 /nfs/dbraw/zinc/78/71/34/570787134.db2.gz LXKYHIWUKSKZSC-LJQANCHMSA-N 0 0 381.501 4.166 50 30 GIEARN Cc1ccc(S(=O)(=O)Oc2ccccc2/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000261491896 570789476 /nfs/dbraw/zinc/78/94/76/570789476.db2.gz DQGVEEWXGSHNQZ-KGENOOAVSA-N 0 0 396.424 4.422 50 30 GIEARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000005868837 570799256 /nfs/dbraw/zinc/79/92/56/570799256.db2.gz QCRZGZYXTRIVOK-INIZCTEOSA-N 0 0 399.491 4.366 50 30 GIEARN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(Br)c3)S2)c1 ZINC000004491754 570809543 /nfs/dbraw/zinc/80/95/43/570809543.db2.gz MVTMDQUYMNZDMW-OQLLNIDSSA-N 0 0 389.274 4.355 50 30 GIEARN Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122381 570815414 /nfs/dbraw/zinc/81/54/14/570815414.db2.gz VSMKFIJOQLDHTG-MHWRWJLKSA-N 0 0 382.876 4.480 50 30 GIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1SC1CCCC1 ZINC000032817576 570830599 /nfs/dbraw/zinc/83/05/99/570830599.db2.gz MJIBDFROLOKICQ-UHFFFAOYSA-N 0 0 395.528 4.469 50 30 GIEARN C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000012533332 570834962 /nfs/dbraw/zinc/83/49/62/570834962.db2.gz YMDAJHZBDIWIPH-CALCHBBNSA-N 0 0 383.517 4.122 50 30 GIEARN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000004696370 570836789 /nfs/dbraw/zinc/83/67/89/570836789.db2.gz UEWTZZWGWCVSDZ-LZYBPNLTSA-N 0 0 399.566 4.395 50 30 GIEARN N#CCCN(C(=O)Cn1c2ccccc2nc1C(F)(F)F)c1ccc(F)cc1 ZINC000012544547 570845391 /nfs/dbraw/zinc/84/53/91/570845391.db2.gz XGNJCJUXHKSPOQ-UHFFFAOYSA-N 0 0 390.340 4.141 50 30 GIEARN COc1cccc(C2CC(=O)C(=CNCCc3ccc(Cl)cc3)C(=O)C2)c1 ZINC000102384694 570846654 /nfs/dbraw/zinc/84/66/54/570846654.db2.gz SCBPKFLFFYYNMM-UHFFFAOYSA-N 0 0 383.875 4.080 50 30 GIEARN Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000003276413 570848391 /nfs/dbraw/zinc/84/83/91/570848391.db2.gz NRSPJVIBFMUBCF-UHFFFAOYSA-N 0 0 395.462 4.171 50 30 GIEARN N#CCOC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004548648 570859836 /nfs/dbraw/zinc/85/98/36/570859836.db2.gz WFYUHGQMYDEJAN-UHFFFAOYSA-N 0 0 382.319 4.445 50 30 GIEARN N#Cc1ccccc1CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000004723944 570862824 /nfs/dbraw/zinc/86/28/24/570862824.db2.gz HOHSIRJMBDJITD-XOCAJXSXSA-N 0 0 391.408 4.259 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OC ZINC000170618122 570875544 /nfs/dbraw/zinc/87/55/44/570875544.db2.gz GIQCVMVVYQZDKU-XMSQKQJNSA-N 0 0 380.440 4.023 50 30 GIEARN COc1ccc(N2C(N)=C(c3nc(-c4ccc(F)cc4)cs3)C(=O)[C@@H]2C)cc1 ZINC000103370976 570882371 /nfs/dbraw/zinc/88/23/71/570882371.db2.gz KZHMTZJKEWPKHY-LBPRGKRZSA-N 0 0 395.459 4.063 50 30 GIEARN C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000002874502 570933751 /nfs/dbraw/zinc/93/37/51/570933751.db2.gz FILIRCWOECIQMN-UHFFFAOYSA-N 0 0 380.429 4.014 50 30 GIEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(C(C)C)cc2)cc1 ZINC000006876058 570939657 /nfs/dbraw/zinc/93/96/57/570939657.db2.gz MQXOJCDJOWHACL-FYJGNVAPSA-N 0 0 381.505 4.334 50 30 GIEARN CCN(Cc1ccc(C#N)cc1F)Cn1nc(-c2ccc(OC)cc2)oc1=S ZINC000032935411 570947808 /nfs/dbraw/zinc/94/78/08/570947808.db2.gz QDOKJMTYMVFSIH-UHFFFAOYSA-N 0 0 398.463 4.372 50 30 GIEARN N#Cc1ccc(CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000027154071 570950370 /nfs/dbraw/zinc/95/03/70/570950370.db2.gz BJTBGQIHAYTZDZ-FQEVSTJZSA-N 0 0 376.456 4.016 50 30 GIEARN C=CCn1c(COc2ccccc2OC)nnc1SCC(=O)c1ccccc1 ZINC000004735902 570950353 /nfs/dbraw/zinc/95/03/53/570950353.db2.gz ZOHDCCQUUMINSC-UHFFFAOYSA-N 0 0 395.484 4.027 50 30 GIEARN CC(=O)Nc1ccc(C(C)=NOCc2ccc(F)c(Br)c2)cc1 ZINC000252458491 570959604 /nfs/dbraw/zinc/95/96/04/570959604.db2.gz LLFNPBPYJRBXDL-UHFFFAOYSA-N 0 0 379.229 4.487 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc2c(c1)OCO2)OCO3 ZINC000004127507 570960833 /nfs/dbraw/zinc/96/08/33/570960833.db2.gz XJIYBIVFOVAJJV-OAQYLSRUSA-N 0 0 391.423 4.345 50 30 GIEARN COc1cccc(C=Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)c1O ZINC000252462913 570961026 /nfs/dbraw/zinc/96/10/26/570961026.db2.gz XHEZFRUNCVZANT-UHFFFAOYSA-N 0 0 380.469 4.211 50 30 GIEARN CC(=O)/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 ZINC000033295150 570961502 /nfs/dbraw/zinc/96/15/02/570961502.db2.gz GGUYJKLVHMBDRN-VGOFMYFVSA-N 0 0 381.240 4.360 50 30 GIEARN COc1ccccc1/C=C/C(=O)c1cc2cc(Br)ccc2oc1=O ZINC000004754939 570966656 /nfs/dbraw/zinc/96/66/56/570966656.db2.gz HWSNHIGZWAPJQU-SOFGYWHQSA-N 0 0 385.213 4.460 50 30 GIEARN CCCc1noc(CCC(=O)N2CCSC2=Nc2cccc(Cl)c2C)n1 ZINC000252507107 570978216 /nfs/dbraw/zinc/97/82/16/570978216.db2.gz YJUDAWLLPSBYSM-UHFFFAOYSA-N 0 0 392.912 4.180 50 30 GIEARN CCOc1ccccc1/C=C1/SC(=Nc2ccc(C(=O)OC)cc2)N(C)C1=O ZINC000252595374 571003784 /nfs/dbraw/zinc/00/37/84/571003784.db2.gz CAMDNARPPKQESK-CTNAHEIOSA-N 0 0 396.468 4.106 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccc(F)cc1 ZINC000252597071 571004274 /nfs/dbraw/zinc/00/42/74/571004274.db2.gz COVBOGNHAVXIFG-HNNXBMFYSA-N 0 0 391.855 4.069 50 30 GIEARN Cc1ccc(S(=O)(=O)Nc2ccccc2C=Nc2ccccc2C#N)cc1 ZINC000252608792 571008953 /nfs/dbraw/zinc/00/89/53/571008953.db2.gz HNBAVBOQNCQESS-UHFFFAOYSA-N 0 0 375.453 4.418 50 30 GIEARN COc1ccc(-c2cc(NC(=O)COc3ccc(C#N)cc3)ccc2OC)cc1 ZINC000007639214 571009018 /nfs/dbraw/zinc/00/90/18/571009018.db2.gz DETZDNCNQTUMDX-UHFFFAOYSA-N 0 0 388.423 4.260 50 30 GIEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1Cl ZINC000007641882 571010029 /nfs/dbraw/zinc/01/00/29/571010029.db2.gz 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ZINC000002234885 817380369 /nfs/dbraw/zinc/38/03/69/817380369.db2.gz HLWFTVBYQLNUGN-IBGZPJMESA-N 0 0 399.498 4.483 50 30 GIEARN CC(C)CN(CC(C)C)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC(C)C ZINC000002361075 817385746 /nfs/dbraw/zinc/38/57/46/817385746.db2.gz NRZNFIRJSWKWNB-KRWDZBQOSA-N 0 0 382.508 4.307 50 30 GIEARN O=C(c1ccco1)C1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 ZINC000002730094 817398987 /nfs/dbraw/zinc/39/89/87/817398987.db2.gz GTBRQEYLTUNLMG-CYBMUJFWSA-N 0 0 394.740 4.239 50 30 GIEARN CCOc1cc(/C=C2/c3ccccc3NC2=O)cc(Br)c1OCC#N ZINC000002773005 817399767 /nfs/dbraw/zinc/39/97/67/817399767.db2.gz ZFIMLPXMINCNJG-ZROIWOOFSA-N 0 0 399.244 4.243 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(F)F ZINC000003211103 817421982 /nfs/dbraw/zinc/42/19/82/817421982.db2.gz SNFMWDZMFWEEMU-KRWDZBQOSA-N 0 0 391.414 4.065 50 30 GIEARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1 ZINC000003229298 817424816 /nfs/dbraw/zinc/42/48/16/817424816.db2.gz YLJBIVWOZMXECF-OAHLLOKOSA-N 0 0 399.450 4.027 50 30 GIEARN N#Cc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 ZINC000003276367 817430763 /nfs/dbraw/zinc/43/07/63/817430763.db2.gz HDLZQCRHAGBCKT-GZTJUZNOSA-N 0 0 394.477 4.404 50 30 GIEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000003352923 817441325 /nfs/dbraw/zinc/44/13/25/817441325.db2.gz OHBFEWOEVJVBKR-UHFFFAOYSA-N 0 0 386.407 4.014 50 30 GIEARN N#Cc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 ZINC000003371706 817444024 /nfs/dbraw/zinc/44/40/24/817444024.db2.gz CZHXPDKZXZDCOQ-UHFFFAOYSA-N 0 0 385.449 4.023 50 30 GIEARN COc1ccccc1NC(=S)N/N=C/c1cccn1Cc1ccccc1F ZINC000003587080 817489580 /nfs/dbraw/zinc/48/95/80/817489580.db2.gz IZEIULRGHVRLKU-LPYMAVHISA-N 0 0 382.464 4.005 50 30 GIEARN CSc1ccc([C@@H](C(C#N)C#N)[C@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000004996426 817545355 /nfs/dbraw/zinc/54/53/55/817545355.db2.gz KEAKKIJXQFDIKG-PMACEKPBSA-N 0 0 395.459 4.138 50 30 GIEARN COC[C@H](C)n1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3F)SC2)c1C ZINC000007991090 817977656 /nfs/dbraw/zinc/97/76/56/817977656.db2.gz APCMGQRBSSRGGK-LBPRGKRZSA-N 0 0 392.475 4.319 50 30 GIEARN COc1ccc(OC)c(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)c1 ZINC000011289489 818068745 /nfs/dbraw/zinc/06/87/45/818068745.db2.gz BNLUXWDJDNLYDS-SOFGYWHQSA-N 0 0 379.334 4.101 50 30 GIEARN COc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC(C)C ZINC000011334766 818073355 /nfs/dbraw/zinc/07/33/55/818073355.db2.gz WHOFXBCIPOXQON-ZHACJKMWSA-N 0 0 381.472 4.215 50 30 GIEARN C=C(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccn2)SC1=S ZINC000012538129 818166093 /nfs/dbraw/zinc/16/60/93/818166093.db2.gz FSJVBZKAHCIEEK-WOJGMQOQSA-N 0 0 382.510 4.438 50 30 GIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccco4)ccc3C2=O)cc1OC ZINC000012861234 818190645 /nfs/dbraw/zinc/19/06/45/818190645.db2.gz MTMFZSBKNUBYQY-JAIQZWGSSA-N 0 0 392.363 4.132 50 30 GIEARN CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)c(Cl)c2)nc1N ZINC000019852966 818606887 /nfs/dbraw/zinc/60/68/87/818606887.db2.gz VZWUNCQDXUUXQA-UHFFFAOYSA-N 0 0 382.272 4.311 50 30 GIEARN Cc1ccc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccccc3)c2C#N)cc1 ZINC000019890059 818607532 /nfs/dbraw/zinc/60/75/32/818607532.db2.gz UWCYXSKMZRXGDA-UHFFFAOYSA-N 0 0 399.479 4.113 50 30 GIEARN COc1cc(-c2c3c(C)nn(-c4ccc(C)c(C)c4)c3nc(N)c2C#N)ccc1O ZINC000020403688 818620527 /nfs/dbraw/zinc/62/05/27/818620527.db2.gz RJSRJXCJDWRSJK-UHFFFAOYSA-N 0 0 399.454 4.181 50 30 GIEARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000020606250 818627363 /nfs/dbraw/zinc/62/73/63/818627363.db2.gz OUNLLZKXHUCYEX-RYUDHWBXSA-N 0 0 385.445 4.059 50 30 GIEARN N#Cc1ccc(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000023660260 818971522 /nfs/dbraw/zinc/97/15/22/818971522.db2.gz SZXWWCHKPKDCIO-VMPITWQZSA-N 0 0 375.409 4.062 50 30 GIEARN COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C#N)cc1 ZINC000027982223 820302302 /nfs/dbraw/zinc/30/23/02/820302302.db2.gz UIHHQNNYIRFEQZ-UHFFFAOYSA-N 0 0 385.423 4.062 50 30 GIEARN C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(C#N)cc1 ZINC000031433507 820810664 /nfs/dbraw/zinc/81/06/64/820810664.db2.gz FHGKCNUZAHQBMV-CYBMUJFWSA-N 0 0 381.382 4.301 50 30 GIEARN CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1 ZINC000038139245 821094492 /nfs/dbraw/zinc/09/44/92/821094492.db2.gz IQOJUDDMZHTDSZ-UHFFFAOYSA-N 0 0 388.423 4.326 50 30 aggregator GIEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1F ZINC000038654389 821099054 /nfs/dbraw/zinc/09/90/54/821099054.db2.gz XAXRTVJOOUHAPT-UHFFFAOYSA-N 0 0 388.446 4.409 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OC)c(O)c3)cc2c1C ZINC000040082002 821132666 /nfs/dbraw/zinc/13/26/66/821132666.db2.gz AIOTXOSVIJDKKN-GQCTYLIASA-N 0 0 383.425 4.002 50 30 GIEARN COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@@H](c3ccccc3)CC(=O)C21 ZINC000040266722 821155183 /nfs/dbraw/zinc/15/51/83/821155183.db2.gz OMQVGGPEDAVJDG-VLIAUNLRSA-N 0 0 388.427 4.058 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C\c3ccc(OC)c(O)c3)cc2c1C ZINC000048557532 822672191 /nfs/dbraw/zinc/67/21/91/822672191.db2.gz AIOTXOSVIJDKKN-XQRVVYSFSA-N 0 0 383.425 4.002 50 30 GIEARN N#Cc1cccc(C(=O)N2CCC(COc3nc4ccccc4s3)CC2)c1 ZINC000206599745 231029602 /nfs/dbraw/zinc/02/96/02/231029602.db2.gz YYTVPVREGMUMNG-UHFFFAOYSA-N 0 0 377.469 4.099 50 30 GIEARN O=C1CS/C(=N/c2ccc(-c3ccccc3[N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 ZINC000036611816 120306434 /nfs/dbraw/zinc/30/64/34/120306434.db2.gz MWAHXDSMBRLNHS-BZROSYFNSA-N 0 0 397.456 4.004 50 30 GIEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 ZINC000002066364 212263726 /nfs/dbraw/zinc/26/37/26/212263726.db2.gz DIMKSBCGMKZJPN-HXUWFJFHSA-N 0 0 383.488 4.340 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000002063665 212262842 /nfs/dbraw/zinc/26/28/42/212262842.db2.gz WUSLVXDSCKQSOK-HXUWFJFHSA-N 0 0 383.488 4.252 50 30 GIEARN COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001771144 212256228 /nfs/dbraw/zinc/25/62/28/212256228.db2.gz LWFDYGDSYZJJJL-GIJQJNRQSA-N 0 0 389.824 4.060 50 30 GIEARN CCOc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 ZINC000001471612 212247639 /nfs/dbraw/zinc/24/76/39/212247639.db2.gz NGVXZLQVYUIVNK-UHFFFAOYSA-N 0 0 381.501 4.270 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccccc1C ZINC000001457722 212246116 /nfs/dbraw/zinc/24/61/16/212246116.db2.gz JIVFBDPFSGQWHN-RFVSGWPVSA-N 0 0 376.456 4.226 50 30 GIEARN CN(C)N1C(=O)C[C@@H](c2cccc(F)c2)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001432864 212244247 /nfs/dbraw/zinc/24/42/47/212244247.db2.gz SJPMIDWHYOCAHE-HKUYNNGSSA-N 0 0 378.447 4.019 50 30 GIEARN CN(C)N1C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CC(C)(C)CC2=O ZINC000001422743 212243317 /nfs/dbraw/zinc/24/33/17/212243317.db2.gz HYCNKMNVMIFTOH-AWEZNQCLSA-N 0 0 380.410 4.141 50 30 GIEARN O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CCOCC1 ZINC000001252099 212232869 /nfs/dbraw/zinc/23/28/69/212232869.db2.gz CUQPRRVKJNZBEO-XIEYBQDHSA-N 0 0 397.434 4.494 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1F ZINC000001201793 212228542 /nfs/dbraw/zinc/22/85/42/212228542.db2.gz CFXXPOTWODJKBP-OPAMFIHVSA-N 0 0 391.442 4.360 50 30 GIEARN COc1cccc(/C=N/n2cnnc2)c1OCc1ccc(Cl)cc1Cl ZINC000001195803 212227989 /nfs/dbraw/zinc/22/79/89/212227989.db2.gz FEBMDINAILHOHS-GZIVZEMBSA-N 0 0 377.231 4.055 50 30 GIEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)c3cc4ccccc4c(=O)o3)sc2C1 ZINC000001095827 212216924 /nfs/dbraw/zinc/21/69/24/212216924.db2.gz YLJCVGDEEVRVMM-GFCCVEGCSA-N 0 0 378.453 4.493 50 30 GIEARN Cc1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)c1C ZINC000001087733 212216572 /nfs/dbraw/zinc/21/65/72/212216572.db2.gz XPDOKXYNZXNPFK-HNNXBMFYSA-N 0 0 393.512 4.107 50 30 GIEARN O=C(Nc1ccc(Cl)cc1)ONC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000001039284 212208167 /nfs/dbraw/zinc/20/81/67/212208167.db2.gz NDHFAIPYXUSCHL-UHFFFAOYSA-N 0 0 394.136 4.301 50 30 GIEARN CC(=O)c1ccc(C#N)c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000001032006 212207328 /nfs/dbraw/zinc/20/73/28/212207328.db2.gz TZVFCHJQDZFPBY-UHFFFAOYSA-N 0 0 380.256 4.193 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4ccccc4Cl)nn3[C@H](c3cccc(O)c3)C12 ZINC000000944333 212198835 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GIEARN C=CCn1cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000001147407 212101797 /nfs/dbraw/zinc/10/17/97/212101797.db2.gz OCJIQQVYWFREQG-UNOMPAQXSA-N 0 0 375.403 4.059 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000002463604 212103544 /nfs/dbraw/zinc/10/35/44/212103544.db2.gz LCKPPQBKXZFYIO-KDOFPFPSSA-N 0 0 384.501 4.188 50 30 GIEARN C=CCn1nc(SCCCC)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839385 212099876 /nfs/dbraw/zinc/09/98/76/212099876.db2.gz JXFQYRGPQLQVRH-UHFFFAOYSA-N 0 0 394.544 4.470 50 30 GIEARN C#CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000014011375 212098297 /nfs/dbraw/zinc/09/82/97/212098297.db2.gz KDDBGUBESHMMOB-ATVHPVEESA-N 0 0 395.256 4.267 50 30 GIEARN C=CCNC(=O)c1ccccc1C(=O)c1ccc(OCCC)c(OCCC)c1 ZINC000012899983 212097610 /nfs/dbraw/zinc/09/76/10/212097610.db2.gz FKUCLTZVGHAKGU-UHFFFAOYSA-N 0 0 381.472 4.411 50 30 GIEARN C=CCc1cc(OC)ccc1Oc1ccc2nnc(-c3ccccc3OC)n2n1 ZINC000012322476 212096902 /nfs/dbraw/zinc/09/69/02/212096902.db2.gz XFRFKPZUMHMOHI-UHFFFAOYSA-N 0 0 388.427 4.329 50 30 GIEARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)C#Cc1ccccc1)O2 ZINC000012122881 212096909 /nfs/dbraw/zinc/09/69/09/212096909.db2.gz JEMGASSQGVGLJO-QFIPXVFZSA-N 0 0 395.458 4.028 50 30 GIEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002307003 212101188 /nfs/dbraw/zinc/10/11/88/212101188.db2.gz KEGSIMZKWZMLGT-UHFFFAOYSA-N 0 0 387.830 4.123 50 30 GIEARN COc1ccccc1N1CCN(C(=O)c2cccc(C#Cc3ccccc3)c2)CC1 ZINC000001187981 212100210 /nfs/dbraw/zinc/10/02/10/212100210.db2.gz DXYREAOQEOZTMN-UHFFFAOYSA-N 0 0 396.490 4.057 50 30 GIEARN C=C(C)Cn1nc(SCC)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839113 212100309 /nfs/dbraw/zinc/10/03/09/212100309.db2.gz JMYVCOVNRHWIIZ-QFIPXVFZSA-N 0 0 394.544 4.470 50 30 GIEARN C=C(C)Cc1c(COC)nc(-c2ccc(C)c(Cl)c2)nc1OC(=O)N(C)C ZINC000001044772 212100043 /nfs/dbraw/zinc/10/00/43/212100043.db2.gz OCVZHYVHTZEGBE-UHFFFAOYSA-N 0 0 389.883 4.431 50 30 GIEARN C=CC[NH+](CC=C)C[C@H](O)Cn1c2ccccc2cc1-c1ccc(OC)cc1 ZINC000000938475 212100105 /nfs/dbraw/zinc/10/01/05/212100105.db2.gz FMGXULXOUJWKBG-NRFANRHFSA-N 0 0 376.500 4.352 50 30 GIEARN C=CCOc1ccc(/C=C2/NC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000006945540 212083346 /nfs/dbraw/zinc/08/33/46/212083346.db2.gz DUDFRGNMKXNOQX-GHRIWEEISA-N 0 0 394.496 4.221 50 30 GIEARN C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nccs3)c(=O)oc2c1 ZINC000006760812 212082701 /nfs/dbraw/zinc/08/27/01/212082701.db2.gz GHBAQJWYHIXABF-UHFFFAOYSA-N 0 0 384.457 4.084 50 30 GIEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nccs3)c(=O)oc2c1C ZINC000006760314 212082288 /nfs/dbraw/zinc/08/22/88/212082288.db2.gz OUHXVLQNOHGSIQ-UHFFFAOYSA-N 0 0 384.457 4.002 50 30 GIEARN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O ZINC000005826387 212081008 /nfs/dbraw/zinc/08/10/08/212081008.db2.gz PFJXGGHDVWNGML-MTJSOVHGSA-N 0 0 397.459 4.231 50 30 GIEARN C=CCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 ZINC000005500230 212080571 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COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc(C)nn32)cc1 ZINC000004736623 220756717 /nfs/dbraw/zinc/75/67/17/220756717.db2.gz OZKALOWGNDEIQT-VGSWGCGISA-N 0 0 386.455 4.011 50 30 GIEARN C[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000004898228 220785864 /nfs/dbraw/zinc/78/58/64/220785864.db2.gz XXUNRUDGXWNTFM-UCVXVQGBSA-N 0 0 375.856 4.333 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1 ZINC000004919697 220792549 /nfs/dbraw/zinc/79/25/49/220792549.db2.gz QNPUHMAHUKIAGP-XMSQKQJNSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCC ZINC000004993365 220805986 /nfs/dbraw/zinc/80/59/86/220805986.db2.gz LBKNYJAZKSCERK-HXUWFJFHSA-N 0 0 389.451 4.217 50 30 GIEARN Cc1ccc(C(=O)On2c(=O)c3ccccc3nc2-c2ccccc2F)cc1C ZINC000005199900 220842593 /nfs/dbraw/zinc/84/25/93/220842593.db2.gz OQERMOWETLHCEM-UHFFFAOYSA-N 0 0 388.398 4.088 50 30 GIEARN Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@H]4c2ccco2)c1 ZINC000005347123 220859155 /nfs/dbraw/zinc/85/91/55/220859155.db2.gz RSHYBHAETQTHME-LJQANCHMSA-N 0 0 398.422 4.224 50 30 GIEARN COc1cccc(N2C(=S)N=C(Nc3ccccc3)[C@]23CCOC(C)(C)C3)c1 ZINC000005625276 220889134 /nfs/dbraw/zinc/88/91/34/220889134.db2.gz OOCPYGNMOGVRQU-JOCHJYFZSA-N 0 0 395.528 4.448 50 30 GIEARN COc1cccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCCC4)c1 ZINC000006051720 220916240 /nfs/dbraw/zinc/91/62/40/220916240.db2.gz NRVCAFUFHMVMBK-UHFFFAOYSA-N 0 0 397.525 4.340 50 30 GIEARN C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 ZINC000006559771 220942000 /nfs/dbraw/zinc/94/20/00/220942000.db2.gz BWOGPFVVDUHXKU-LBPRGKRZSA-N 0 0 381.486 4.273 50 30 GIEARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1C#N ZINC000006559904 220942051 /nfs/dbraw/zinc/94/20/51/220942051.db2.gz GCQLGRMTKQZKJS-GFCCVEGCSA-N 0 0 381.486 4.273 50 30 GIEARN C[C@H](Sc1nnc2ccccn21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007297324 220993429 /nfs/dbraw/zinc/99/34/29/220993429.db2.gz SPFFAZGSLUNAOO-LBPRGKRZSA-N 0 0 397.529 4.051 50 30 GIEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OC1c2ccccc2-c2ccccc21 ZINC000007674057 221005549 /nfs/dbraw/zinc/00/55/49/221005549.db2.gz HWTHKDDTKDXOBY-UHFFFAOYSA-N 0 0 384.435 4.109 50 30 GIEARN C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000007646025 221004815 /nfs/dbraw/zinc/00/48/15/221004815.db2.gz WMYJWQZCNGCNIY-LLVKDONJSA-N 0 0 385.689 4.212 50 30 GIEARN CCOc1cc(C#N)cc(Cl)c1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000008315456 221036295 /nfs/dbraw/zinc/03/62/95/221036295.db2.gz HNDHMMOFMBLEIT-SFHVURJKSA-N 0 0 384.863 4.183 50 30 GIEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)OCc3ccccc3)n2)cc1 ZINC000008323751 221037093 /nfs/dbraw/zinc/03/70/93/221037093.db2.gz VFLDFWJKOOJMFH-UHFFFAOYSA-N 0 0 390.464 4.464 50 30 GIEARN N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(-c2ccccc2)n1 ZINC000007886330 221015965 /nfs/dbraw/zinc/01/59/65/221015965.db2.gz MFODRBWZOHPSJN-QFIPXVFZSA-N 0 0 383.455 4.193 50 30 GIEARN COc1cc(/C=C/c2nc(C#N)c(NCc3ccccc3)o2)cc(OC)c1OC ZINC000008469943 221041618 /nfs/dbraw/zinc/04/16/18/221041618.db2.gz VXVSEUTYSCCRHJ-MDZDMXLPSA-N 0 0 391.427 4.355 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccnc1 ZINC000008471476 221042234 /nfs/dbraw/zinc/04/22/34/221042234.db2.gz ZHUMLQRKFNXNFG-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN COc1ccc(CNc2oc(/C=C/c3ccc(OC)c(OC)c3)nc2C#N)cc1 ZINC000008474760 221042574 /nfs/dbraw/zinc/04/25/74/221042574.db2.gz CRECUMDAHVYNKB-YRNVUSSQSA-N 0 0 391.427 4.355 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2nc(C)cs2)c1C ZINC000009437828 221081802 /nfs/dbraw/zinc/08/18/02/221081802.db2.gz UAJVTMCJAUEJMT-UHFFFAOYSA-N 0 0 381.457 4.001 50 30 GIEARN CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCCCC1 ZINC000010343857 221101770 /nfs/dbraw/zinc/10/17/70/221101770.db2.gz BRLWVABCSOBCIZ-IBGZPJMESA-N 0 0 395.547 4.353 50 30 GIEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nncn2C2CC2)c1C#N ZINC000010649629 221105987 /nfs/dbraw/zinc/10/59/87/221105987.db2.gz FGBWBZNIMRAELB-UHFFFAOYSA-N 0 0 398.536 4.139 50 30 GIEARN COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2cccc(C#N)c2)cc1 ZINC000010950723 221109173 /nfs/dbraw/zinc/10/91/73/221109173.db2.gz JPWDABSTVZASFG-QHCPKHFHSA-N 0 0 383.451 4.376 50 30 GIEARN CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000012554965 221206629 /nfs/dbraw/zinc/20/66/29/221206629.db2.gz BMNXRKFDPYCAJN-CYBMUJFWSA-N 0 0 396.516 4.286 50 30 GIEARN COc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(OC)c1 ZINC000012556157 221207199 /nfs/dbraw/zinc/20/71/99/221207199.db2.gz ZXYSBPHATOHDPQ-CYBMUJFWSA-N 0 0 399.516 4.345 50 30 GIEARN N#Cc1ccccc1S(=O)(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000015362217 221335025 /nfs/dbraw/zinc/33/50/25/221335025.db2.gz YMCJAINOZRNCGJ-GOSISDBHSA-N 0 0 386.523 4.018 50 30 GIEARN O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccc(Br)cc1 ZINC000015776583 221344640 /nfs/dbraw/zinc/34/46/40/221344640.db2.gz WIPUXMZYIIUGPP-UHFFFAOYSA-N 0 0 382.073 4.012 50 30 GIEARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C#N)nccn3n2)cc1 ZINC000017051661 221376137 /nfs/dbraw/zinc/37/61/37/221376137.db2.gz WUIDNWLJJOURBR-UHFFFAOYSA-N 0 0 399.479 4.307 50 30 GIEARN CCc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000018195061 221388292 /nfs/dbraw/zinc/38/82/92/221388292.db2.gz IGIKKNSJZOKOHO-QFIPXVFZSA-N 0 0 387.483 4.251 50 30 GIEARN COc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCO4)cc1O ZINC000018197502 221389744 /nfs/dbraw/zinc/38/97/44/221389744.db2.gz PDVKLODPMFZVHL-NRFANRHFSA-N 0 0 393.439 4.330 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000018203498 221389904 /nfs/dbraw/zinc/38/99/04/221389904.db2.gz AXKJOYICQPZSAJ-LJQANCHMSA-N 0 0 396.874 4.170 50 30 GIEARN COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CCC3)c1 ZINC000018197173 221390015 /nfs/dbraw/zinc/39/00/15/221390015.db2.gz XFWNFIUJYSRAHO-QFIPXVFZSA-N 0 0 395.455 4.286 50 30 GIEARN COc1cc2c(c(OC)c1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2 ZINC000018200049 221390483 /nfs/dbraw/zinc/39/04/83/221390483.db2.gz LXPOYTRTTMEZTP-IBGZPJMESA-N 0 0 380.400 4.177 50 30 GIEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3cccc4nsnc43)cc2)cc1 ZINC000019077858 221395713 /nfs/dbraw/zinc/39/57/13/221395713.db2.gz RWMFPWALIARDMW-UHFFFAOYSA-N 0 0 386.436 4.247 50 30 GIEARN COc1ccc2c(c1)CC/C(=C\c1cc(O)c(OC)cc1Br)C2=O ZINC000096792353 533245118 /nfs/dbraw/zinc/24/51/18/533245118.db2.gz DJXSLICQWHRYJB-KPKJPENVSA-N 0 0 389.245 4.384 50 30 GIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000064473523 136156834 /nfs/dbraw/zinc/15/68/34/136156834.db2.gz RXZWUYKBLBHIPH-UHFFFAOYSA-N 0 0 396.494 4.450 50 30 GIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000065034382 136158963 /nfs/dbraw/zinc/15/89/63/136158963.db2.gz UCDGFMROTXSSNX-UHFFFAOYSA-N 0 0 395.466 4.142 50 30 GIEARN N#Cc1c(N)nc(-c2ccc(N3CCOCC3)cc2)cc1-c1ccc2[nH]ccc2c1 ZINC000071776346 136166637 /nfs/dbraw/zinc/16/66/37/136166637.db2.gz WJCIUYSJTFRLOI-UHFFFAOYSA-N 0 0 395.466 4.187 50 30 GIEARN CCc1ncc(-c2cc(C(=O)N3CCC(C#N)CC3)c3ccc(C)c(C)c3n2)cn1 ZINC000063832506 222067329 /nfs/dbraw/zinc/06/73/29/222067329.db2.gz MSURJBFBTXZCBP-UHFFFAOYSA-N 0 0 399.498 4.247 50 30 GIEARN Cc1ncc(CN(C)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)s1 ZINC000069388307 222172609 /nfs/dbraw/zinc/17/26/09/222172609.db2.gz RGRCKIRADXYJQH-UHFFFAOYSA-N 0 0 393.472 4.483 50 30 GIEARN N#Cc1c(N)nc(-c2ccc(N3CCCCC3)cc2)cc1-c1ccc(O)c(O)c1 ZINC000071415829 222183043 /nfs/dbraw/zinc/18/30/43/222183043.db2.gz HHCOGMWZONRYSH-UHFFFAOYSA-N 0 0 386.455 4.271 50 30 GIEARN C=CCN1C(=O)/C(=C\c2ccc3ncccc3c2)S/C1=N/c1nccs1 ZINC000101227712 222469375 /nfs/dbraw/zinc/46/93/75/222469375.db2.gz DCPAUFTXXNQDJL-GKFPWYADSA-N 0 0 378.482 4.481 50 30 GIEARN Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1 ZINC000009419503 534247975 /nfs/dbraw/zinc/24/79/75/534247975.db2.gz LEVRVBBARNMJCD-BKUYFWCQSA-N 0 0 392.432 4.379 50 30 GIEARN C[C@@H]1CCc2sc(C(=O)OCC(=O)Nc3c(C#N)oc4ccccc43)cc2C1 ZINC000007737707 534271185 /nfs/dbraw/zinc/27/11/85/534271185.db2.gz JKASRTIXBOWCLK-GFCCVEGCSA-N 0 0 394.452 4.286 50 30 GIEARN CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000036286040 518209271 /nfs/dbraw/zinc/20/92/71/518209271.db2.gz KNONFVJMISTVFL-NJDAHSKKSA-N 0 0 375.378 4.081 50 30 GIEARN Brc1cccc(CN=Nc2nnnn2-c2cccc3ccccc32)c1 ZINC000004380205 518217233 /nfs/dbraw/zinc/21/72/33/518217233.db2.gz WGBMOUZOLVZJLG-UDWIEESQSA-N 0 0 393.248 4.024 50 30 GIEARN C#CCOc1cc([C@@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)ccc1OC ZINC000036364884 518319791 /nfs/dbraw/zinc/31/97/91/518319791.db2.gz UAGLSUCCVPYTNQ-HNNXBMFYSA-N 0 0 397.500 4.278 50 30 GIEARN CC(=O)c1ccc(NC(=Nc2cccc(C#N)c2)n2sc(C)cc2=N)cc1 ZINC000020344044 518344163 /nfs/dbraw/zinc/34/41/63/518344163.db2.gz SICYYLGMNMAZSR-UHFFFAOYSA-N 0 0 375.457 4.060 50 30 GIEARN C#Cc1cccc(N(C(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)C(C)C)c1 ZINC000102909113 518360347 /nfs/dbraw/zinc/36/03/47/518360347.db2.gz UZYVQCZOHSDSGQ-UHFFFAOYSA-N 0 0 378.863 4.266 50 30 GIEARN C=C(Br)CNC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000058418212 518583106 /nfs/dbraw/zinc/58/31/06/518583106.db2.gz BGVJDHCUBLZTDJ-UHFFFAOYSA-N 0 0 388.290 4.239 50 30 GIEARN C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C ZINC000014979064 518768241 /nfs/dbraw/zinc/76/82/41/518768241.db2.gz POZUKAGPUKLZKZ-UHFFFAOYSA-N 0 0 393.516 4.130 50 30 GIEARN C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)NC(C)C ZINC000006689759 518801474 /nfs/dbraw/zinc/80/14/74/518801474.db2.gz SHXYJKHKHVPCHN-UHFFFAOYSA-N 0 0 381.307 4.344 50 30 GIEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1 ZINC000003549287 518818925 /nfs/dbraw/zinc/81/89/25/518818925.db2.gz HZINQDAPZZVGJQ-UHFFFAOYSA-N 0 0 398.528 4.130 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccccc1F ZINC000016741386 518835596 /nfs/dbraw/zinc/83/55/96/518835596.db2.gz PCPMHFHEZXCQBX-HXUWFJFHSA-N 0 0 395.430 4.297 50 30 GIEARN C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020353816 518836992 /nfs/dbraw/zinc/83/69/92/518836992.db2.gz WPYZUCMLJYUMOK-SFHVURJKSA-N 0 0 397.862 4.000 50 30 GIEARN C=CCN1c2ccccc2S/C(=C/C(=O)N[C@@H](C)CCc2ccccc2)C1=O ZINC000037309429 518877219 /nfs/dbraw/zinc/87/72/19/518877219.db2.gz SMAKWGKERMSSIF-QFGIDJEJSA-N 0 0 392.524 4.333 50 30 GIEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2ccco2)cc1 ZINC000037556614 518901281 /nfs/dbraw/zinc/90/12/81/518901281.db2.gz VYWONGROSBCZJF-UHFFFAOYSA-N 0 0 388.467 4.280 50 30 GIEARN C=CCOc1c(OC)cccc1[C@H]1CC(=O)Nc2c1cnn2-c1ccc(F)cc1 ZINC000065331417 519005901 /nfs/dbraw/zinc/00/59/01/519005901.db2.gz XEBQADRORVJFNS-QGZVFWFLSA-N 0 0 393.418 4.059 50 30 GIEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(CC)cc3)cs2)c1C ZINC000033019178 519121920 /nfs/dbraw/zinc/12/19/20/519121920.db2.gz DCCWBJSJUFQAJU-UHFFFAOYSA-N 0 0 380.517 4.418 50 30 GIEARN C=CCn1c(SCC(=O)N2CCCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000003295022 519201381 /nfs/dbraw/zinc/20/13/81/519201381.db2.gz RENISCQWEIXKGJ-UHFFFAOYSA-N 0 0 390.940 4.279 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2sc(C)cc2c1=O ZINC000000641580 519210903 /nfs/dbraw/zinc/21/09/03/519210903.db2.gz YNZKZQNVXQSLJK-UHFFFAOYSA-N 0 0 399.541 4.300 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccco1 ZINC000005025961 519222719 /nfs/dbraw/zinc/22/27/19/519222719.db2.gz HOMMFOBDDSMJMI-UHFFFAOYSA-N 0 0 388.880 4.417 50 30 GIEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005163623 519747561 /nfs/dbraw/zinc/74/75/61/519747561.db2.gz XKRBWVCFNSFVIM-NVMNQCDNSA-N 0 0 390.794 4.426 50 30 GIEARN CCCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2Cc1ccco1 ZINC000102995972 519971342 /nfs/dbraw/zinc/97/13/42/519971342.db2.gz FEBIPLJNKZLXIZ-UHFFFAOYSA-N 0 0 392.565 4.424 50 30 GIEARN CCCCCCCCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000070670036 520029966 /nfs/dbraw/zinc/02/99/66/520029966.db2.gz RBBZSIFZZRPZPJ-ZWJWXYIHSA-N 0 0 386.529 4.150 50 30 GIEARN CCCCCCCCNC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O ZINC000101295874 520035738 /nfs/dbraw/zinc/03/57/38/520035738.db2.gz MRYNFQBOVLIVMR-SFHVURJKSA-N 0 0 394.515 4.378 50 30 GIEARN CCCCCCNC(=O)CC1S/C(=N/c2cccc(Cl)c2C)N(C)C1=O ZINC000004820322 520085613 /nfs/dbraw/zinc/08/56/13/520085613.db2.gz SXUAKBHXRFEDLQ-QKDOTCOFSA-N 0 0 395.956 4.296 50 30 GIEARN CCNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2OC)c1=O ZINC000004667428 520278001 /nfs/dbraw/zinc/27/80/01/520278001.db2.gz LOUZRQHELRVYBC-DHZHZOJOSA-N 0 0 388.261 4.146 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036258004 520539400 /nfs/dbraw/zinc/53/94/00/520539400.db2.gz FAWPKGQGBQDRSJ-GZTJUZNOSA-N 0 0 399.443 4.383 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102531971 520555831 /nfs/dbraw/zinc/55/58/31/520555831.db2.gz BNEXQGMSPKTWTI-LFVOPCPISA-N 0 0 394.427 4.125 50 30 GIEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1 ZINC000019536331 520817126 /nfs/dbraw/zinc/81/71/26/520817126.db2.gz OMTLPFOXLUOKRQ-NRFANRHFSA-N 0 0 383.488 4.393 50 30 GIEARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000019898847 520823744 /nfs/dbraw/zinc/82/37/44/520823744.db2.gz SLQAPVCSISBIHV-HSZRJFAPSA-N 0 0 387.479 4.440 50 30 GIEARN CCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CCCC1=N2 ZINC000020091591 520978885 /nfs/dbraw/zinc/97/88/85/520978885.db2.gz OUXUGFPGWFGGCV-KRWDZBQOSA-N 0 0 399.476 4.101 50 30 GIEARN CCCC[C@@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000004626400 521026426 /nfs/dbraw/zinc/02/64/26/521026426.db2.gz TYGSOACVXFGKEH-FOIQADDNSA-N 0 0 389.492 4.205 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2cccc(F)c2)C[C@H]1c1cccc(OC)c1 ZINC000001080298 521090287 /nfs/dbraw/zinc/09/02/87/521090287.db2.gz VIMAFEYDMIJIGA-FPOVZHCZSA-N 0 0 383.419 4.066 50 30 GIEARN CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@H](C#N)[C@@]1(O)c1ccccc1 ZINC000102936358 521142429 /nfs/dbraw/zinc/14/24/29/521142429.db2.gz IFJQETUKALJECG-DMUMMCEESA-N 0 0 387.888 4.087 50 30 GIEARN CCCC[C@H](CC)CNC(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000022621645 521179715 /nfs/dbraw/zinc/17/97/15/521179715.db2.gz CFGZHFHJGRRASB-INIZCTEOSA-N 0 0 392.503 4.401 50 30 GIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000013136006 521786111 /nfs/dbraw/zinc/78/61/11/521786111.db2.gz ROHGXJVVLVRSCT-BONVTDFDSA-N 0 0 387.530 4.287 50 30 GIEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 ZINC000036611512 521792421 /nfs/dbraw/zinc/79/24/21/521792421.db2.gz YPEVMWUZLCSFLM-UFFVCSGVSA-N 0 0 396.394 4.463 50 30 GIEARN COc1cc(/C=C\C(=O)OCCSc2ccc(C)cc2)ccc1OCC#N ZINC000033497284 521982052 /nfs/dbraw/zinc/98/20/52/521982052.db2.gz YAFSGRISEHAEOF-POHAHGRESA-N 0 0 383.469 4.255 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2c1C ZINC000024825335 522435221 /nfs/dbraw/zinc/43/52/21/522435221.db2.gz FTBYYPTUHJZWOM-VMPITWQZSA-N 0 0 382.397 4.196 50 30 GIEARN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCCO2 ZINC000101764589 523055559 /nfs/dbraw/zinc/05/55/59/523055559.db2.gz YTYSUUPFMNVOLC-OPLSWVRWSA-N 0 0 392.455 4.220 50 30 GIEARN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc2c(c1)OCCO2 ZINC000101764595 523056410 /nfs/dbraw/zinc/05/64/10/523056410.db2.gz YTYSUUPFMNVOLC-LJYWYDBESA-N 0 0 392.455 4.220 50 30 GIEARN COc1ccc(-c2nnc(S[C@@H](C#N)Cc3ccc(C)cc3)o2)c(OC)c1 ZINC000007170361 523265371 /nfs/dbraw/zinc/26/53/71/523265371.db2.gz XSHNMDSTDJSUAM-MRXNPFEDSA-N 0 0 381.457 4.289 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000102875781 523377508 /nfs/dbraw/zinc/37/75/08/523377508.db2.gz BUVSCHHQQWLPLA-JBCNATCCSA-N 0 0 385.419 4.322 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000102875778 523377599 /nfs/dbraw/zinc/37/75/99/523377599.db2.gz BUVSCHHQQWLPLA-MRJHHRETSA-N 0 0 385.419 4.322 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC ZINC000004832658 523402656 /nfs/dbraw/zinc/40/26/56/523402656.db2.gz SFLTXLUEUASLDR-VZUCSPMQSA-N 0 0 377.396 4.445 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccccc2OC(=O)c2ccncc2)cc1OC ZINC000005485543 523402706 /nfs/dbraw/zinc/40/27/06/523402706.db2.gz WLMKUEZNBSNPCN-VQHVLOKHSA-N 0 0 389.407 4.214 50 30 GIEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)(C)C)ccc3C2=O)c(OC)c1 ZINC000009341706 523421542 /nfs/dbraw/zinc/42/15/42/523421542.db2.gz NQTFGKDDPAJFHW-GRSHGNNSSA-N 0 0 382.412 4.272 50 30 GIEARN COc1ccc(/C=C\C(=O)c2ccc(I)cc2)cc1OC ZINC000033395427 523433073 /nfs/dbraw/zinc/43/30/73/523433073.db2.gz ZXFVDSCMPPICDO-OQFOIZHKSA-N 0 0 394.208 4.205 50 30 GIEARN Cn1c2ccc(Cl)cc2nc1SCC(=O)N(CCC#N)c1ccccc1 ZINC000046882580 534709260 /nfs/dbraw/zinc/70/92/60/534709260.db2.gz UBUJMVRYPMDSIM-UHFFFAOYSA-N 0 0 384.892 4.266 50 30 GIEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C)o2)C3=O)cc1 ZINC000002104631 523774154 /nfs/dbraw/zinc/77/41/54/523774154.db2.gz WSKBFQHLRNBOPT-NDENLUEZSA-N 0 0 376.364 4.432 50 30 GIEARN CN1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)[C@@H](c2ccccc2)C1 ZINC000030029566 523866172 /nfs/dbraw/zinc/86/61/72/523866172.db2.gz PJYVVEJXVJTORP-JHUUHBRDSA-N 0 0 398.510 4.083 50 30 GIEARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000019535736 524107758 /nfs/dbraw/zinc/10/77/58/524107758.db2.gz LZPFGFSGHZBJCD-HXUWFJFHSA-N 0 0 383.488 4.251 50 30 GIEARN COc1ccc([NH+]=C([S-])NN=Cc2cccn2Cc2ccc(F)cc2)cc1 ZINC000013521045 524379705 /nfs/dbraw/zinc/37/97/05/524379705.db2.gz NPTUXAFVNPKDDE-LPYMAVHISA-N 0 0 382.464 4.416 50 30 GIEARN COc1ccc(N2Cc3ccccc3C2=NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000252633634 524448541 /nfs/dbraw/zinc/44/85/41/524448541.db2.gz WEYZYKXQMOEAEF-UHFFFAOYSA-N 0 0 387.395 4.211 50 30 GIEARN COc1ccccc1N=C(Nc1ccc(C(C)=O)cc1)n1sc(C)cc1=N ZINC000020343781 524533161 /nfs/dbraw/zinc/53/31/61/524533161.db2.gz RNVBMJKIALWNOM-UHFFFAOYSA-N 0 0 380.473 4.197 50 30 GIEARN Cc1ccc(N2C(=O)CS/C2=N/C(=O)c2ccc(Br)cc2)cc1 ZINC000100728565 524919959 /nfs/dbraw/zinc/91/99/59/524919959.db2.gz INMPWYSCPZJUTM-HTXNQAPBSA-N 0 0 389.274 4.034 50 30 GIEARN COc1ccc2cc(/C=C\C(=O)c3ccc(OCC(=O)N(C)C)cc3)ccc2c1 ZINC000096765457 525621269 /nfs/dbraw/zinc/62/12/69/525621269.db2.gz GWARSHHJVYBGEN-ACAGNQJTSA-N 0 0 389.451 4.212 50 30 GIEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCC(C)C)cc1 ZINC000032828788 525628241 /nfs/dbraw/zinc/62/82/41/525628241.db2.gz LNMOVYWFXXMOEA-LJQANCHMSA-N 0 0 394.500 4.045 50 30 GIEARN COc1ccc2oc(=O)c(-c3csc(N=NCc4ccccc4)n3)cc2c1 ZINC000004784956 525685007 /nfs/dbraw/zinc/68/50/07/525685007.db2.gz DCWYRWGMGIPNKS-SRZZPIQSSA-N 0 0 377.425 4.371 50 30 GIEARN Cc1ccc(-c2ccc(/C=N/N=C3\NC(=O)[C@@H](Cc4ccccc4)S3)o2)cc1 ZINC000017838172 525742638 /nfs/dbraw/zinc/74/26/38/525742638.db2.gz NOCJOAFKKLQBQD-RXULLKCLSA-N 0 0 389.480 4.419 50 30 GIEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c1 ZINC000016810035 525768746 /nfs/dbraw/zinc/76/87/46/525768746.db2.gz RRCYXZJIYIGMAU-OFNOZLENSA-N 0 0 379.456 4.249 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 ZINC000102742530 525788397 /nfs/dbraw/zinc/78/83/97/525788397.db2.gz PBXWRXPBEWNEAI-GROYHEBESA-N 0 0 394.452 4.288 50 30 GIEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006025277 525789764 /nfs/dbraw/zinc/78/97/64/525789764.db2.gz DCGRXFWBXNQDAP-OAQYLSRUSA-N 0 0 384.435 4.169 50 30 GIEARN Cc1c2c(ccc1Cl)/C(=C1\S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2 ZINC000019843084 525932525 /nfs/dbraw/zinc/93/25/25/525932525.db2.gz KLTZVGRKQBJLBK-FYWRMAATSA-N 0 0 387.823 4.001 50 30 GIEARN Cc1ccc(/N=C2\NC(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)S2)cc1Cl ZINC000015016562 525971518 /nfs/dbraw/zinc/97/15/18/525971518.db2.gz HHVZVWBRANBJSZ-PFONDFGASA-N 0 0 387.823 4.001 50 30 GIEARN Cc1ccc(C(C)C)c(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c1 ZINC000001240109 526248158 /nfs/dbraw/zinc/24/81/58/526248158.db2.gz RJVGQPVMQOYNSR-ZMOGYAJESA-N 0 0 394.544 4.319 50 30 GIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1cccc([N+](=O)[O-])c1 ZINC000005139539 526443327 /nfs/dbraw/zinc/44/33/27/526443327.db2.gz TVAGYOGGBQAZGS-WQRHYEAKSA-N 0 0 393.376 4.492 50 30 GIEARN C=CCN1CCN(C(=O)Nc2ccc(Br)cc2F)c2cccnc21 ZINC000064929542 526456025 /nfs/dbraw/zinc/45/60/25/526456025.db2.gz UFQWHVSHFBESLG-UHFFFAOYSA-N 0 0 391.244 4.028 50 30 GIEARN N#CCCn1c2ccccc2nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005693676 526464793 /nfs/dbraw/zinc/46/47/93/526464793.db2.gz ONAVBAJRROVOFJ-UHFFFAOYSA-N 0 0 394.544 4.127 50 30 GIEARN N#CCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 ZINC000080344122 526480843 /nfs/dbraw/zinc/48/08/43/526480843.db2.gz BZDBVJXJJMONLU-QWRGUYRKSA-N 0 0 385.301 4.203 50 30 GIEARN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000071843993 526506734 /nfs/dbraw/zinc/50/67/34/526506734.db2.gz YKCXERGUPYYVBO-RRFJBIMHSA-N 0 0 388.393 4.003 50 30 GIEARN N#C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)c1cccc(Br)c1 ZINC000095401296 526509616 /nfs/dbraw/zinc/50/96/16/526509616.db2.gz HXNUJUOBNNISDP-YCPHGPKFSA-N 0 0 391.215 4.212 50 30 GIEARN N#C[C@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@H]21 ZINC000013807268 526515511 /nfs/dbraw/zinc/51/55/11/526515511.db2.gz WOZFVLCMTANHQB-RBBKRZOGSA-N 0 0 387.443 4.238 50 30 GIEARN N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000020503076 526812182 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570388685 /nfs/dbraw/zinc/38/86/85/570388685.db2.gz BFJZSFUXLDCVQC-GDNBJRDFSA-N 0 0 389.274 4.349 50 30 GIEARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1C(=O)CCCC1=N2 ZINC000004716072 570397267 /nfs/dbraw/zinc/39/72/67/570397267.db2.gz LGUMMJQWRDPPBP-AWEZNQCLSA-N 0 0 381.288 4.329 50 30 GIEARN Cc1sc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C#N)c1C ZINC000005027994 570398731 /nfs/dbraw/zinc/39/87/31/570398731.db2.gz CNBKFLZKNRIUJC-UHFFFAOYSA-N 0 0 384.461 4.387 50 30 GIEARN O=c1c(C=NNc2ccccc2)c(SCc2ccccc2)nc2ccccn21 ZINC000004750688 570402741 /nfs/dbraw/zinc/40/27/41/570402741.db2.gz CLFWATZCANPBRZ-HZHRSRAPSA-N 0 0 386.480 4.433 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 ZINC000005045099 570405521 /nfs/dbraw/zinc/40/55/21/570405521.db2.gz WWMUVBBCAWMQCP-GOSISDBHSA-N 0 0 385.485 4.096 50 30 GIEARN COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)O2 ZINC000005047951 570406238 /nfs/dbraw/zinc/40/62/38/570406238.db2.gz DPIGKKRECUWTFH-ODLFYWEKSA-N 0 0 391.335 4.258 50 30 GIEARN Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000004945099 570419225 /nfs/dbraw/zinc/41/92/25/570419225.db2.gz PFZIKKVOVIDYFJ-YJYMSZOUSA-N 0 0 380.835 4.249 50 30 GIEARN Cc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(F)cc43)CC2)cc1 ZINC000038653663 570433341 /nfs/dbraw/zinc/43/33/41/570433341.db2.gz IHMGBHMFPZASIB-UHFFFAOYSA-N 0 0 388.446 4.409 50 30 GIEARN COc1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1Br ZINC000005529789 570444343 /nfs/dbraw/zinc/44/43/43/570444343.db2.gz QPHSVOCEEFNTLB-XNTDXEJSSA-N 0 0 389.274 4.349 50 30 GIEARN CCOC(=O)N[C@@H](NC(=S)N=C1CCCCCC1)C(Cl)(Cl)Cl ZINC000005592209 570447818 /nfs/dbraw/zinc/44/78/18/570447818.db2.gz FVSNUGSMRBPEFG-SNVBAGLBSA-N 0 0 388.748 4.099 50 30 GIEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000005763161 570456069 /nfs/dbraw/zinc/45/60/69/570456069.db2.gz DSGFJXHFTVQCQA-QGMBQPNBSA-N 0 0 394.243 4.331 50 30 GIEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)c1ccc(F)cc1 ZINC000006514177 570463845 /nfs/dbraw/zinc/46/38/45/570463845.db2.gz VLEONMHQYQSGFP-UHFFFAOYSA-N 0 0 388.851 4.350 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001811 570464101 /nfs/dbraw/zinc/46/41/01/570464101.db2.gz ZFBISEKNIAPWQS-INIZCTEOSA-N 0 0 395.528 4.391 50 30 GIEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000006540724 570472272 /nfs/dbraw/zinc/47/22/72/570472272.db2.gz BITHGRXJVJYWFB-GFCCVEGCSA-N 0 0 389.249 4.125 50 30 GIEARN Cc1ccc(N)c(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)c1 ZINC000006275864 570475323 /nfs/dbraw/zinc/47/53/23/570475323.db2.gz QWPOEBVSWNTVCP-BSYVCWPDSA-N 0 0 391.387 4.258 50 30 GIEARN CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O[C@@H](CC)C1=O ZINC000035908964 570476893 /nfs/dbraw/zinc/47/68/93/570476893.db2.gz YBLGSXIBIRVUKQ-QRWLVFNGSA-N 0 0 391.471 4.109 50 30 GIEARN CCCCCCCCCCCCN1c2ccccc2C(=NNC(N)=S)C1=O ZINC000252607378 570478860 /nfs/dbraw/zinc/47/88/60/570478860.db2.gz HBSKSNSLXZZTJM-UHFFFAOYSA-N 0 0 388.581 4.491 50 30 GIEARN C[C@@H](C#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000006580130 570480956 /nfs/dbraw/zinc/48/09/56/570480956.db2.gz HJCGLRNRSSQPLJ-NSHDSACASA-N 0 0 389.278 4.353 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006492155 570481428 /nfs/dbraw/zinc/48/14/28/570481428.db2.gz MWZSWUVGXKIUOS-QFIPXVFZSA-N 0 0 387.483 4.305 50 30 GIEARN C[C@H](OC(=O)CSc1ccc2ccccc2c1)C(=O)Nc1cccc(C#N)c1 ZINC000005780296 570483938 /nfs/dbraw/zinc/48/39/38/570483938.db2.gz XLGYRJVRKBWJCV-HNNXBMFYSA-N 0 0 390.464 4.374 50 30 GIEARN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000006658597 570486188 /nfs/dbraw/zinc/48/61/88/570486188.db2.gz GMLFDFZNFDVYMF-LHSJRXKWSA-N 0 0 392.409 4.280 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000006720105 570489714 /nfs/dbraw/zinc/48/97/14/570489714.db2.gz BGABIROZKWKFMT-LJQANCHMSA-N 0 0 399.874 4.263 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)cc1 ZINC000006819673 570495362 /nfs/dbraw/zinc/49/53/62/570495362.db2.gz ZICRGFIMPXXPPD-CRAIPNDOSA-N 0 0 381.859 4.353 50 30 GIEARN CCc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819568 570495420 /nfs/dbraw/zinc/49/54/20/570495420.db2.gz CUQAOGZOLKHPLO-ICSRJNTNSA-N 0 0 375.468 4.262 50 30 GIEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1 ZINC000006819511 570495469 /nfs/dbraw/zinc/49/54/69/570495469.db2.gz BPDGWADBFUGIRH-RHSMWYFYSA-N 0 0 381.859 4.353 50 30 GIEARN COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000006720449 570548632 /nfs/dbraw/zinc/54/86/32/570548632.db2.gz JOWFZWTZGAUMBP-QHCPKHFHSA-N 0 0 392.455 4.231 50 30 GIEARN CCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005323814 570553626 /nfs/dbraw/zinc/55/36/26/570553626.db2.gz QWERSAGBOIHMAR-HTAPYJJXSA-N 0 0 386.455 4.093 50 30 GIEARN CC(C)CSc1nc2n(n1)[C@H](c1ccc(N(C)C)cc1)C1C(=O)CCCC1=N2 ZINC000006728719 570554589 /nfs/dbraw/zinc/55/45/89/570554589.db2.gz LXTRODYRMJMFIH-LJQANCHMSA-N 0 0 397.548 4.114 50 30 GIEARN CC(C)CSc1nc2n(n1)[C@@H](c1ccc(N(C)C)cc1)C1C(=O)CCCC1=N2 ZINC000006728720 570554599 /nfs/dbraw/zinc/55/45/99/570554599.db2.gz LXTRODYRMJMFIH-IBGZPJMESA-N 0 0 397.548 4.114 50 30 GIEARN CCSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccs1 ZINC000004331422 570575678 /nfs/dbraw/zinc/57/56/78/570575678.db2.gz CCPRYCJLAHIYDR-AWEZNQCLSA-N 0 0 386.546 4.433 50 30 GIEARN N#Cc1ccc(-c2ccccc2)nc1SCCN1C(=O)c2ccccc2C1=O ZINC000033011299 570624164 /nfs/dbraw/zinc/62/41/64/570624164.db2.gz DRNKSDUGXMYPRS-UHFFFAOYSA-N 0 0 385.448 4.009 50 30 GIEARN N#Cc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000004601948 570654596 /nfs/dbraw/zinc/65/45/96/570654596.db2.gz SRVQHMUANUFAFX-UHFFFAOYSA-N 0 0 399.450 4.171 50 30 GIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)C(C)(C)C ZINC000012406556 570662257 /nfs/dbraw/zinc/66/22/57/570662257.db2.gz YFYOGOFPDSXNDK-UHFFFAOYSA-N 0 0 392.496 4.247 50 30 GIEARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000006875248 570663964 /nfs/dbraw/zinc/66/39/64/570663964.db2.gz AUYASMTVROSFMA-VQTJNVASSA-N 0 0 387.464 4.169 50 30 GIEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl ZINC000053291479 570674561 /nfs/dbraw/zinc/67/45/61/570674561.db2.gz VCLFIHUNZNHJBW-RAXLEYEMSA-N 0 0 398.960 4.019 50 30 GIEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCc2ccccc21 ZINC000012627546 570691950 /nfs/dbraw/zinc/69/19/50/570691950.db2.gz UBKQWELNWRSIAM-OAHLLOKOSA-N 0 0 376.485 4.020 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2cc(Cl)ccc2c1=O ZINC000006899167 570694246 /nfs/dbraw/zinc/69/42/46/570694246.db2.gz KBRAOLUICKMLGD-ZDUSSCGKSA-N 0 0 399.903 4.355 50 30 GIEARN CC(=O)c1ccc(OCc2ccccc2C#N)c(CSc2ncccn2)c1 ZINC000006905807 570697938 /nfs/dbraw/zinc/69/79/38/570697938.db2.gz XJHZQJVFCYFLHB-UHFFFAOYSA-N 0 0 375.453 4.422 50 30 GIEARN C/C(=N\OC(=O)c1c(C)onc1-c1c(F)cccc1Cl)c1nccs1 ZINC000006921144 570706567 /nfs/dbraw/zinc/70/65/67/570706567.db2.gz MCLXZIAWCBLLBG-DNTJNYDQSA-N 0 0 379.800 4.480 50 30 GIEARN COc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1 ZINC000001231193 570714177 /nfs/dbraw/zinc/71/41/77/570714177.db2.gz ZCXJZNFTNJAWQT-UHFFFAOYSA-N 0 0 375.336 4.326 50 30 GIEARN N#C[C@H](NC(=O)CCc1ccccc1Cl)c1cccc(Br)c1 ZINC000058179446 570716874 /nfs/dbraw/zinc/71/68/74/570716874.db2.gz RHFAUWUQCYWWJO-INIZCTEOSA-N 0 0 377.669 4.416 50 30 GIEARN CCOc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2c1 ZINC000000907326 570724590 /nfs/dbraw/zinc/72/45/90/570724590.db2.gz HNAXCFBSWUNEGO-UHFFFAOYSA-N 0 0 393.468 4.245 50 30 GIEARN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000257357760 570785738 /nfs/dbraw/zinc/78/57/38/570785738.db2.gz PTARAGMFTGDAST-YJIPGYPFSA-N 0 0 390.520 4.024 50 30 GIEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000004457561 570789787 /nfs/dbraw/zinc/78/97/87/570789787.db2.gz JBCYWAPYMMMPRH-NOCBQHASSA-N 0 0 383.561 4.383 50 30 GIEARN C[C@@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1 ZINC000004458614 570790210 /nfs/dbraw/zinc/79/02/10/570790210.db2.gz SOEVJGQJGNFOCF-CYBMUJFWSA-N 0 0 382.261 4.153 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004494081 570810858 /nfs/dbraw/zinc/81/08/58/570810858.db2.gz GMCIBPQCFBAKOT-UHFFFAOYSA-N 0 0 384.741 4.257 50 30 GIEARN O=C1C(=CNC2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000004673636 570819881 /nfs/dbraw/zinc/81/98/81/570819881.db2.gz YLQWJKDVZDOEBK-PQDFQZGZSA-N 0 0 380.395 4.191 50 30 GIEARN Fc1ccccc1COc1cccc(/C=N/NC(=S)NCc2ccccc2)c1 ZINC000004511748 570825657 /nfs/dbraw/zinc/82/56/57/570825657.db2.gz ZQGSJVPGYSWEIJ-MFKUBSTISA-N 0 0 393.487 4.403 50 30 GIEARN CCNC(=S)N/N=C/c1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000004512043 570825731 /nfs/dbraw/zinc/82/57/31/570825731.db2.gz UIOYLUICQUNCMC-LFVJCYFKSA-N 0 0 399.560 4.260 50 30 GIEARN CN(C(=O)CN1CCC[C@H]1c1nc2ccccc2s1)C1(C#N)CCCCC1 ZINC000007359841 570833429 /nfs/dbraw/zinc/83/34/29/570833429.db2.gz NBACBTPKCRINGL-KRWDZBQOSA-N 0 0 382.533 4.118 50 30 GIEARN Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(C(F)(F)F)nn21 ZINC000004716148 570856557 /nfs/dbraw/zinc/85/65/57/570856557.db2.gz ZRQAYORTFUXWEQ-OAHLLOKOSA-N 0 0 376.382 4.263 50 30 GIEARN COc1ccc(-n2c(C)cc(C(=O)COc3ccc(C#N)cc3OC)c2C)cc1 ZINC000003337465 570858488 /nfs/dbraw/zinc/85/84/88/570858488.db2.gz SRIVZTPYYJGHFT-UHFFFAOYSA-N 0 0 390.439 4.245 50 30 GIEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C#N)cnn32)c(OC)c1 ZINC000102840076 570866773 /nfs/dbraw/zinc/86/67/73/570866773.db2.gz QNVQSMNFJKXXLF-IBGZPJMESA-N 0 0 378.432 4.080 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccccc1C ZINC000170615367 570873032 /nfs/dbraw/zinc/87/30/32/570873032.db2.gz JAXOTGWJBUNELR-GGAORHGYSA-N 0 0 394.467 4.332 50 30 GIEARN CCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000103227217 570880077 /nfs/dbraw/zinc/88/00/77/570880077.db2.gz NCXZHSRGQROOES-ZWJWXYIHSA-N 0 0 386.529 4.150 50 30 GIEARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN2CCC[C@H](C#N)C2)cc1 ZINC000072412469 570881914 /nfs/dbraw/zinc/88/19/14/570881914.db2.gz XOUBOKSKEGFSCK-QGZVFWFLSA-N 0 0 390.462 4.423 50 30 GIEARN N#CCC[C@@H](C#N)CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000015243272 570886321 /nfs/dbraw/zinc/88/63/21/570886321.db2.gz TWSZYYCOXKDERC-ZDUSSCGKSA-N 0 0 387.896 4.381 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccccc1F ZINC000097104931 570894308 /nfs/dbraw/zinc/89/43/08/570894308.db2.gz PNTDIEXDDQEUDV-AVRDEDQJSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000097104877 570894339 /nfs/dbraw/zinc/89/43/39/570894339.db2.gz XUMUYVDUDPOPLK-GGAORHGYSA-N 0 0 377.484 4.380 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C)cc2)cc1 ZINC000104184821 570897048 /nfs/dbraw/zinc/89/70/48/570897048.db2.gz PQDLUCSZMQMSBV-GHNGSUTGSA-N 0 0 390.464 4.386 50 30 GIEARN COc1ccc(C(=O)Nc2cccc(/C=C3/Cc4c(cccc4O)C3=O)c2)cc1 ZINC000096931952 570911071 /nfs/dbraw/zinc/91/10/71/570911071.db2.gz WQVCBAOQFWIQKT-ATVHPVEESA-N 0 0 385.419 4.476 50 30 GIEARN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000152799992 570916202 /nfs/dbraw/zinc/91/62/02/570916202.db2.gz BTRHSXCFYCROMH-UHFFFAOYSA-N 0 0 387.443 4.485 50 30 GIEARN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(-c3ccc(C)cc3)nn21 ZINC000032912773 570918082 /nfs/dbraw/zinc/91/80/82/570918082.db2.gz DMWPSCGURJXGBG-NRFANRHFSA-N 0 0 386.455 4.284 50 30 GIEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000004047995 570925456 /nfs/dbraw/zinc/92/54/56/570925456.db2.gz UUGINFABZUJECB-UFFVCSGVSA-N 0 0 394.391 4.060 50 30 GIEARN C=CCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(Br)o2)c1C ZINC000003399320 570958188 /nfs/dbraw/zinc/95/81/88/570958188.db2.gz BISCTLJBFUTGTC-SOFGYWHQSA-N 0 0 392.249 4.086 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(I)cc2)cc1OC ZINC000004458688 570975088 /nfs/dbraw/zinc/97/50/88/570975088.db2.gz ZXFVDSCMPPICDO-YCRREMRBSA-N 0 0 394.208 4.205 50 30 GIEARN C=CCc1cc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cc(OC)c1OC ZINC000083921311 570980080 /nfs/dbraw/zinc/98/00/80/570980080.db2.gz INIXDEZQJFJJMJ-RTWAWAEBSA-N 0 0 395.499 4.161 50 30 GIEARN C=CCn1c(SCc2cn3ccccc3c2C#N)nc2sccc2c1=O ZINC000058370823 570984115 /nfs/dbraw/zinc/98/41/15/570984115.db2.gz YYOIGMPDWHJJCX-UHFFFAOYSA-N 0 0 378.482 4.061 50 30 GIEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 ZINC000004793378 570993066 /nfs/dbraw/zinc/99/30/66/570993066.db2.gz REUWFXKETNTBIX-UHFFFAOYSA-N 0 0 382.489 4.106 50 30 GIEARN CC1CCN(c2ccc(C=C3C(=O)c4ccccc4C3=O)cc2[N+](=O)[O-])CC1 ZINC000004797620 570994093 /nfs/dbraw/zinc/99/40/93/570994093.db2.gz KMUQDYUJWBKZJI-UHFFFAOYSA-N 0 0 376.412 4.294 50 30 GIEARN C=C(C)COc1ccccc1NC(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000096167158 570998890 /nfs/dbraw/zinc/99/88/90/570998890.db2.gz DZQSCASVIHKHQM-OAQYLSRUSA-N 0 0 381.476 4.014 50 30 GIEARN CCc1ccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(F)c2)cc1 ZINC000045940576 571001829 /nfs/dbraw/zinc/00/18/29/571001829.db2.gz MMHSQJUOFOKKRE-UHFFFAOYSA-N 0 0 394.425 4.130 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccncc2)cc1 ZINC000045940580 571001870 /nfs/dbraw/zinc/00/18/70/571001870.db2.gz VOLYPRPOOYFWOK-UHFFFAOYSA-N 0 0 376.435 4.181 50 30 GIEARN CCCCN(C)CN1c2ccccc2C(=Nc2ccc(C(=O)OCC)cc2)C1=O ZINC000252597512 571004157 /nfs/dbraw/zinc/00/41/57/571004157.db2.gz CRTCIGSFPRDSBP-UHFFFAOYSA-N 0 0 393.487 4.020 50 30 GIEARN O=C1NC(=NN=Cc2cccs2)S[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000252607795 571007961 /nfs/dbraw/zinc/00/79/61/571007961.db2.gz HEGIRXVLVLQKLJ-CYBMUJFWSA-N 0 0 384.313 4.219 50 30 aggregator GIEARN CCOc1cc(C=Nc2ccc(Nc3ccccc3)cc2)ccc1OCC(N)=O ZINC000252609327 571009633 /nfs/dbraw/zinc/00/96/33/571009633.db2.gz HRTHKNZYIGNNNV-UHFFFAOYSA-N 0 0 389.455 4.444 50 30 GIEARN COCc1cc(C)nc2n[nH]c(N=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)c21 ZINC000252615819 571018464 /nfs/dbraw/zinc/01/84/64/571018464.db2.gz JVIUDDWAIOTHNO-UHFFFAOYSA-N 0 0 391.387 4.332 50 30 GIEARN CCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)C(=Nc3ccccc3)S2)cc1 ZINC000252621763 571033477 /nfs/dbraw/zinc/03/34/77/571033477.db2.gz NGHLDXKRPJOVJD-GOSISDBHSA-N 0 0 397.500 4.066 50 30 GIEARN C=CCc1cc(Cl)ccc1OCCCCC(C(=O)OCC)C(=O)OCC ZINC000004845569 571042769 /nfs/dbraw/zinc/04/27/69/571042769.db2.gz BOMLTOUPSPZRGM-UHFFFAOYSA-N 0 0 382.884 4.360 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccc(Oc2ccccc2)c1 ZINC000011456617 571046897 /nfs/dbraw/zinc/04/68/97/571046897.db2.gz IUQUEPHVERRTHP-KSFYIVLOSA-N 0 0 380.444 4.079 50 30 GIEARN C=CCN1C(=O)/C(=C/c2cccc(OC(=O)c3ccc(F)cc3)c2)SC1=S ZINC000001122769 817374902 /nfs/dbraw/zinc/37/49/02/817374902.db2.gz QDBHPVRPHIGRJS-ATVHPVEESA-N 0 0 399.468 4.432 50 30 GIEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C)cc2C)S/C1=N\c1ccc(F)cc1 ZINC000002220678 817380147 /nfs/dbraw/zinc/38/01/47/817380147.db2.gz TZIIBYWFFHEQDZ-NKWDDMGQSA-N 0 0 399.491 4.423 50 30 GIEARN N#Cc1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1 ZINC000002318383 817383820 /nfs/dbraw/zinc/38/38/20/817383820.db2.gz XQUFTBXBWYIVSU-UHFFFAOYSA-N 0 0 395.447 4.275 50 30 GIEARN O=C1c2ccccc2C(=O)C1=Cc1coc2cc(Br)ccc2c1=O ZINC000002339155 817384655 /nfs/dbraw/zinc/38/46/55/817384655.db2.gz QPWDRIQBBZIBKK-UHFFFAOYSA-N 0 0 381.181 4.018 50 30 GIEARN CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000002360135 817385664 /nfs/dbraw/zinc/38/56/64/817385664.db2.gz DRNMDCULEAJLAY-RCRZSSQQSA-N 0 0 385.464 4.078 50 30 GIEARN CC[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C(F)(F)F)nn3C)sc2C1 ZINC000002752140 817399572 /nfs/dbraw/zinc/39/95/72/817399572.db2.gz MJAGSMYSYRNSKR-VIFPVBQESA-N 0 0 382.411 4.139 50 30 GIEARN C[C@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)C[C@@H](C)CC4 ZINC000002787123 817400527 /nfs/dbraw/zinc/40/05/27/817400527.db2.gz ZYAGNUBWWFUDTF-STQMWFEESA-N 0 0 389.484 4.475 50 30 GIEARN C=CCNC(=S)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000003205879 817421974 /nfs/dbraw/zinc/42/19/74/817421974.db2.gz KXBZSPOBZNNXDC-UHFFFAOYSA-N 0 0 397.440 4.447 50 30 GIEARN C[C@H]1CCc2c(C#N)c(NC(=O)CSc3ncnc4ccccc43)sc2C1 ZINC000003244903 817427076 /nfs/dbraw/zinc/42/70/76/817427076.db2.gz QLHRPCKAJRRQFE-LBPRGKRZSA-N 0 0 394.525 4.419 50 30 GIEARN C#CCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(N(C)C)cc1 ZINC000003255995 817428843 /nfs/dbraw/zinc/42/88/43/817428843.db2.gz BYZSNCXGTCRJKV-UHFFFAOYSA-N 0 0 376.456 4.194 50 30 GIEARN C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@H](CC)C2 ZINC000003413845 817452170 /nfs/dbraw/zinc/45/21/70/817452170.db2.gz KPLJRAWCNXJELZ-SWLSCSKDSA-N 0 0 389.546 4.115 50 30 GIEARN COc1cc2nc(S[C@@H](C)C#N)n(CCC3=CCCCC3)c(=O)c2cc1OC ZINC000003455332 817459424 /nfs/dbraw/zinc/45/94/24/817459424.db2.gz CNAMBDHNANGXFN-AWEZNQCLSA-N 0 0 399.516 4.308 50 30 GIEARN C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1C1CCCCC1 ZINC000003485566 817467393 /nfs/dbraw/zinc/46/73/93/817467393.db2.gz CVAHCCPTTLRNKX-UHFFFAOYSA-N 0 0 388.512 4.059 50 30 GIEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000003535948 817480590 /nfs/dbraw/zinc/48/05/90/817480590.db2.gz TXKKOJBJZMTFGE-ZDUSSCGKSA-N 0 0 399.903 4.355 50 30 GIEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1 ZINC000003563054 817486047 /nfs/dbraw/zinc/48/60/47/817486047.db2.gz AQWPRTKSCMISES-INIZCTEOSA-N 0 0 378.501 4.101 50 30 GIEARN CC(=O)Nc1cc(C(=O)N(C)CCC#N)ccc1Sc1ccc(Cl)cc1 ZINC000003587446 817489591 /nfs/dbraw/zinc/48/95/91/817489591.db2.gz JWLWWCCSXWZSJC-UHFFFAOYSA-N 0 0 387.892 4.435 50 30 GIEARN CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)C)C3)cc1 ZINC000004086979 817502152 /nfs/dbraw/zinc/50/21/52/817502152.db2.gz MWPGJGMFPGJRJA-UHFFFAOYSA-N 0 0 383.517 4.426 50 30 GIEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1 ZINC000004150296 817506947 /nfs/dbraw/zinc/50/69/47/817506947.db2.gz KNGDQRUTUHXWTQ-INIZCTEOSA-N 0 0 399.516 4.372 50 30 GIEARN Cc1cc(SCC(=O)N2CCC[C@@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000004270126 817515050 /nfs/dbraw/zinc/51/50/50/817515050.db2.gz NWOWGLXKUSVBNJ-CQSZACIVSA-N 0 0 378.501 4.018 50 30 GIEARN O=C1CCCC2=Nc3nc(-c4cccc(Cl)c4)nn3[C@H](c3cccc(O)c3)C12 ZINC000004279855 817516149 /nfs/dbraw/zinc/51/61/49/817516149.db2.gz MADJJCMEYFGYIP-LJQANCHMSA-N 0 0 392.846 4.326 50 30 GIEARN CSc1ccc([C@H](C(C#N)C#N)[C@@H](C(C)=O)C(=O)Nc2ccc(F)cc2)cc1 ZINC000004996429 817545320 /nfs/dbraw/zinc/54/53/20/817545320.db2.gz KEAKKIJXQFDIKG-WOJBJXKFSA-N 0 0 395.459 4.138 50 30 GIEARN N#Cc1ccc(OCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 ZINC000007947411 817967132 /nfs/dbraw/zinc/96/71/32/817967132.db2.gz IPONUHRUUYTGBP-FQEVSTJZSA-N 0 0 380.494 4.234 50 30 GIEARN C#CCN(Cc1ccco1)C(=O)c1cc(COc2ccc3c(c2)CCCC3)on1 ZINC000011955532 818132153 /nfs/dbraw/zinc/13/21/53/818132153.db2.gz UVVGSJFCNNVVHT-UHFFFAOYSA-N 0 0 390.439 4.001 50 30 GIEARN CCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(N)n2)cc1 ZINC000019848281 818606429 /nfs/dbraw/zinc/60/64/29/818606429.db2.gz UKOXOSPRRFOFQB-UHFFFAOYSA-N 0 0 375.428 4.285 50 30 GIEARN Cc1ccc(O)c(/C=N/n2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 ZINC000022017156 818764146 /nfs/dbraw/zinc/76/41/46/818764146.db2.gz HUXQPFOYQVKPSJ-SSDVNMTOSA-N 0 0 375.453 4.330 50 30 GIEARN Cc1ccc(-c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCOCC3)o2)cc1 ZINC000027794057 820286803 /nfs/dbraw/zinc/28/68/03/820286803.db2.gz OMCCIMKNNYCONV-SFHVURJKSA-N 0 0 394.500 4.069 50 30 GIEARN CCOc1ccc(/C=C(\C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1OC ZINC000035169153 821064343 /nfs/dbraw/zinc/06/43/43/821064343.db2.gz ZSGKVLLZTRKEFQ-RVDMUPIBSA-N 0 0 378.346 4.492 50 30 GIEARN N#Cc1ccc(CN2CCN(C(=O)c3cc4c(ccc5ccccc45)[nH]3)CC2)cc1 ZINC000040058165 821128545 /nfs/dbraw/zinc/12/85/45/821128545.db2.gz IFZNVNCHIZBGDD-UHFFFAOYSA-N 0 0 394.478 4.151 50 30 GIEARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3ccccc3)CC(=O)C21 ZINC000040266721 821155010 /nfs/dbraw/zinc/15/50/10/821155010.db2.gz OMQVGGPEDAVJDG-JLTOFOAXSA-N 0 0 388.427 4.058 50 30 GIEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2 ZINC000021349658 230907408 /nfs/dbraw/zinc/90/74/08/230907408.db2.gz KPFNKEUGJLDNKT-QKKBWIMNSA-N 0 0 388.423 4.352 50 30 GIEARN Cc1nc(-c2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2)cs1 ZINC000032908844 230918227 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CCCCCCCCn1c(SC/C=C(/C)Cl)nc2c1c(=O)[nH]c(=O)n2C ZINC000002022892 212261240 /nfs/dbraw/zinc/26/12/40/212261240.db2.gz ZPYDXLSKIUPCMR-RAXLEYEMSA-N 0 0 398.960 4.019 50 30 GIEARN COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1OC ZINC000001460130 212245768 /nfs/dbraw/zinc/24/57/68/212245768.db2.gz WTIRZANOODVIMZ-NRFANRHFSA-N 0 0 375.428 4.076 50 30 GIEARN CC(=O)N1C(C)(C)CC(=NOC(=O)c2cccc(C(F)(F)F)c2)CC1(C)C ZINC000001399275 212242432 /nfs/dbraw/zinc/24/24/32/212242432.db2.gz YEIVHJRDSIQITB-UHFFFAOYSA-N 0 0 384.398 4.418 50 30 GIEARN O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1 ZINC000001079936 212215343 /nfs/dbraw/zinc/21/53/43/212215343.db2.gz PICMZBXUSNNLHB-QGZVFWFLSA-N 0 0 380.375 4.262 50 30 GIEARN N#Cc1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n2c3ccccc3sc12 ZINC000001078043 212214892 /nfs/dbraw/zinc/21/48/92/212214892.db2.gz ZLHKJNZBHYRDLZ-UHFFFAOYSA-N 0 0 379.828 4.292 50 30 GIEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ONC(=O)c1ccccc1 ZINC000001048120 212210104 /nfs/dbraw/zinc/21/01/04/212210104.db2.gz MPAHPHMNTNKZMP-UHFFFAOYSA-N 0 0 391.210 4.459 50 30 GIEARN CSc1ncc2c(n1)CC(C)(C)C/C2=N\OC(=O)c1ccccc1Cl ZINC000001038380 212208390 /nfs/dbraw/zinc/20/83/90/212208390.db2.gz HALYBOMJNCJBCO-PXLXIMEGSA-N 0 0 375.881 4.385 50 30 GIEARN N#Cc1c(SCC(=O)NC2CC2)nc(-c2cccs2)cc1C(F)(F)F ZINC000001056504 212211108 /nfs/dbraw/zinc/21/11/08/212211108.db2.gz REQGVWXSAZSUTR-UHFFFAOYSA-N 0 0 383.420 4.071 50 30 GIEARN CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c(C#N)c1C ZINC000000996645 212203441 /nfs/dbraw/zinc/20/34/41/212203441.db2.gz USHRAQSTNWRPEY-HZPDHXFCSA-N 0 0 381.501 4.152 50 30 GIEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(F)cc1 ZINC000000864372 212191590 /nfs/dbraw/zinc/19/15/90/212191590.db2.gz SKZAEPYYNKXXRD-VJBWXMMDSA-N 0 0 381.447 4.224 50 30 GIEARN CSc1nc(C)c(CC(=O)c2ccc(Br)cc2)c(C)c1C#N ZINC000000855611 212189546 /nfs/dbraw/zinc/18/95/46/212189546.db2.gz QTSLKEBSYIYMQW-UHFFFAOYSA-N 0 0 375.291 4.480 50 30 GIEARN CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(Br)o3)sc2CO1 ZINC000000849626 212188826 /nfs/dbraw/zinc/18/88/26/212188826.db2.gz FTRZPOPUBMWRNY-UHFFFAOYSA-N 0 0 381.251 4.079 50 30 GIEARN CCOC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N ZINC000000799057 212182212 /nfs/dbraw/zinc/18/22/12/212182212.db2.gz FIJXAHJKKFLVSL-UHFFFAOYSA-N 0 0 384.354 4.433 50 30 GIEARN N#Cc1ccccc1NC(=O)COc1ccc2ccccc2c1Br ZINC000000671251 212172556 /nfs/dbraw/zinc/17/25/56/212172556.db2.gz WCSATTDLAXFOIT-UHFFFAOYSA-N 0 0 381.229 4.491 50 30 GIEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005185420 212146182 /nfs/dbraw/zinc/14/61/82/212146182.db2.gz BVDMMNZZRNKSPI-LGQZLYSRSA-N 0 0 376.767 4.036 50 30 GIEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000002463603 212103471 /nfs/dbraw/zinc/10/34/71/212103471.db2.gz LCKPPQBKXZFYIO-KSSFIOAISA-N 0 0 384.501 4.188 50 30 GIEARN C=CCSc1nn(C(C)C)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839480 212099363 /nfs/dbraw/zinc/09/93/63/212099363.db2.gz OQVFQWHTTOAPDV-UHFFFAOYSA-N 0 0 380.517 4.251 50 30 GIEARN C=CCSc1nn(CCCC)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839367 212099579 /nfs/dbraw/zinc/09/95/79/212099579.db2.gz ZUZNKTBPZGQAPT-UHFFFAOYSA-N 0 0 394.544 4.470 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCC=C ZINC000002081112 212101144 /nfs/dbraw/zinc/10/11/44/212101144.db2.gz DUQVCKAQPGXESZ-PDGQHHTCSA-N 0 0 379.387 4.300 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(OC)cc1 ZINC000001056992 212100216 /nfs/dbraw/zinc/10/02/16/212100216.db2.gz CXPIIUIXCWRHFQ-UHFFFAOYSA-N 0 0 395.484 4.123 50 30 GIEARN C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC3 ZINC000000630221 212100332 /nfs/dbraw/zinc/10/03/32/212100332.db2.gz UCZUVFHREDZWCM-UHFFFAOYSA-N 0 0 375.544 4.190 50 30 GIEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OCC)c1 ZINC000012111606 212095805 /nfs/dbraw/zinc/09/58/05/212095805.db2.gz IXLXNCNOEVMJKE-HXUWFJFHSA-N 0 0 375.424 4.231 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1ccc(OC)cc1 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GIEARN C=CCN1C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)o2)C(=O)NC1=S ZINC000001245062 518826647 /nfs/dbraw/zinc/82/66/47/518826647.db2.gz BCLGTIOBQIBUFT-RVDMUPIBSA-N 0 0 384.482 4.392 50 30 GIEARN C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc21 ZINC000032593373 518835056 /nfs/dbraw/zinc/83/50/56/518835056.db2.gz NUDSJXMWXACNJP-UHFFFAOYSA-N 0 0 380.375 4.044 50 30 GIEARN C=CCNC(=O)COc1cccc(-c2noc(-c3cccc4ccccc43)n2)c1 ZINC000033327463 518896209 /nfs/dbraw/zinc/89/62/09/518896209.db2.gz SWNFPLXBBJNMIS-UHFFFAOYSA-N 0 0 385.423 4.238 50 30 GIEARN C=CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1 ZINC000037546414 518919267 /nfs/dbraw/zinc/91/92/67/518919267.db2.gz NDEVZTMEGXWQAI-TZIWHRDSSA-N 0 0 380.463 4.030 50 30 GIEARN C=CCNC(=S)NCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 ZINC000100681585 518950090 /nfs/dbraw/zinc/95/00/90/518950090.db2.gz XDCDMOBKUJEUJP-DARPEHSRSA-N 0 0 394.569 4.099 50 30 GIEARN C=CCNc1nnc(SCc2nn(-c3ccc(F)cc3)c3c2CCC3)s1 ZINC000069946444 518967621 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C=CCn1c(SCc2cccc(OC)c2)nnc1-c1cc(OC)cc(OC)c1 ZINC000004346366 519244007 /nfs/dbraw/zinc/24/40/07/519244007.db2.gz YBXBGZVISPFKTC-UHFFFAOYSA-N 0 0 397.500 4.449 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nc2ccccc2c1=O ZINC000003449040 519256977 /nfs/dbraw/zinc/25/69/77/519256977.db2.gz GBNDEBFHWVSELE-MRXNPFEDSA-N 0 0 397.544 4.070 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nc2sccc2c1=O ZINC000032946311 519257787 /nfs/dbraw/zinc/25/77/87/519257787.db2.gz HMADIORDGONQAZ-GFCCVEGCSA-N 0 0 386.498 4.016 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C\c1sc2ccccc2c1Cl ZINC000096888142 519807720 /nfs/dbraw/zinc/80/77/20/519807720.db2.gz DQHZUJCLJUIRHI-OLHLWXQYSA-N 0 0 390.892 4.166 50 30 GIEARN CCCNC1=C(C(=O)Cc2ccc(OCC)c(OCC)c2)C(=O)CC(C)(C)C1 ZINC000100147521 519906798 /nfs/dbraw/zinc/90/67/98/519906798.db2.gz UJKRAAMKCKGHEM-UHFFFAOYSA-N 0 0 387.520 4.238 50 30 GIEARN CCCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CCCC1=O ZINC000100162347 519916812 /nfs/dbraw/zinc/91/68/12/519916812.db2.gz 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377.488 4.169 50 30 GIEARN CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000033719537 521256225 /nfs/dbraw/zinc/25/62/25/521256225.db2.gz STJRTMJUYULVQZ-FCVXWEMSSA-N 0 0 381.501 4.329 50 30 GIEARN CCCCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(OC)cc3)NC2=O)cc1 ZINC000006138484 521274263 /nfs/dbraw/zinc/27/42/63/521274263.db2.gz APXSMPRSYIPXLT-KMUCBOENSA-N 0 0 395.528 4.202 50 30 GIEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1Cl)/C(=N\O)CCC2 ZINC000100208834 521419677 /nfs/dbraw/zinc/41/96/77/521419677.db2.gz UAMVBTRCGVPUDI-BKUYFWCQSA-N 0 0 392.864 4.345 50 30 GIEARN COc1cc(/C=C\C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC#N ZINC000096619718 521979834 /nfs/dbraw/zinc/97/98/34/521979834.db2.gz ZIRIIXULBCHZTR-OQFOIZHKSA-N 0 0 392.333 4.148 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000033386867 521982987 /nfs/dbraw/zinc/98/29/87/521982987.db2.gz GHQYAKZDBZTTSS-WTKPLQERSA-N 0 0 377.234 4.371 50 30 GIEARN CC[C@H](C)c1ccc([C@@H]2C3=C(Nc4nc(N)[nH]c(=O)c42)c2ccccc2C3=O)cc1 ZINC000017945741 522040073 /nfs/dbraw/zinc/04/00/73/522040073.db2.gz SMVILGAUYCTKEA-YVEFUNNKSA-N 0 0 398.466 4.031 50 30 GIEARN COC(=O)c1cccc(COc2ccc3c(c2)O/C(=C\c2ccco2)C3=O)c1 ZINC000217967090 522216394 /nfs/dbraw/zinc/21/63/94/522216394.db2.gz OVKKQVJEHVRQFK-NDENLUEZSA-N 0 0 376.364 4.261 50 30 GIEARN COC(=O)c1sc2ncc(C(=O)/C=C/c3ccc(OC)c(OC)c3)cc2c1C ZINC000024825356 522435695 /nfs/dbraw/zinc/43/56/95/522435695.db2.gz DLVMPUGOPVHNEJ-FNORWQNLSA-N 0 0 397.452 4.305 50 30 GIEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000013721195 522968499 /nfs/dbraw/zinc/96/84/99/522968499.db2.gz SLOHRBHYOMKKSM-SFHVURJKSA-N 0 0 398.459 4.209 50 30 GIEARN COc1ccc(-c2csc(C(C#N)=NNc3ccc(F)cc3)n2)cc1OC ZINC000005024176 523161633 /nfs/dbraw/zinc/16/16/33/523161633.db2.gz ZKWQISPYDVJFQQ-IWIPYMOSSA-N 0 0 382.420 4.306 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 ZINC000005045127 523285549 /nfs/dbraw/zinc/28/55/49/523285549.db2.gz ZMXSNRFRMFHTFV-LJQANCHMSA-N 0 0 399.512 4.486 50 30 GIEARN COc1ccc(C(C)N=Nc2cc(C)nc(NCc3ccccc3)n2)cc1OC ZINC000005032119 523360538 /nfs/dbraw/zinc/36/05/38/523360538.db2.gz VLWIPRZOVDMUDT-WGOQTCKBSA-N 0 0 391.475 4.250 50 30 GIEARN COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2cccc3ccccc32)cc1 ZINC000033361370 523441873 /nfs/dbraw/zinc/44/18/73/523441873.db2.gz CAHNRZHBIMBGMS-KRLZMICPSA-N 0 0 389.480 4.314 50 30 GIEARN CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccccc2)c1C ZINC000032972074 523638360 /nfs/dbraw/zinc/63/83/60/523638360.db2.gz ARWASWVRVCJUFJ-UHFFFAOYSA-N 0 0 393.466 4.057 50 30 GIEARN N#CCc1cccc(Br)c1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000225824941 534726441 /nfs/dbraw/zinc/72/64/41/534726441.db2.gz ZATIZQXAYOYCPY-UHFFFAOYSA-N 0 0 397.631 4.325 50 30 GIEARN CN1C(=O)C[C@@H](C(=O)Nc2ccccc2F)S/C1=N\c1cccc(Cl)c1 ZINC000013551637 523702082 /nfs/dbraw/zinc/70/20/82/523702082.db2.gz ODFSGGSFXUFRKO-BAOKRACBSA-N 0 0 391.855 4.069 50 30 GIEARN CN(C)C(=O)COc1ccc(C(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000007712919 523994830 /nfs/dbraw/zinc/99/48/30/523994830.db2.gz WJVQXLWZSCWUQE-ZHACJKMWSA-N 0 0 378.255 4.357 50 30 GIEARN O=C(/C=C/c1ccccc1OC(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000007586438 534778506 /nfs/dbraw/zinc/77/85/06/534778506.db2.gz OECMDWHXVBPCTI-SOFGYWHQSA-N 0 0 377.362 4.160 50 30 GIEARN COc1ccc([NH+]=C([S-])NN=Cc2cccn2Cc2ccccc2F)cc1 ZINC000013521041 524379366 /nfs/dbraw/zinc/37/93/66/524379366.db2.gz FFOPLJKQTDEZBH-LPYMAVHISA-N 0 0 382.464 4.416 50 30 GIEARN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000104100390 524385723 /nfs/dbraw/zinc/38/57/23/524385723.db2.gz SASSUNQEHMOPAV-MRJHHRETSA-N 0 0 385.419 4.322 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)n1 ZINC000102875066 524531619 /nfs/dbraw/zinc/53/16/19/524531619.db2.gz LBTHOBRYRBWGBU-NHFXJNLRSA-N 0 0 388.398 4.155 50 30 GIEARN COc1ccccc1N1CCN(CC#CCOc2cc(C)ccc2C(C)C)CC1 ZINC000020406319 524554778 /nfs/dbraw/zinc/55/47/78/524554778.db2.gz LSKLWQLYXDPQCH-UHFFFAOYSA-N 0 0 392.543 4.331 50 30 GIEARN C[C@@H]1CN(C(=O)C2(C#N)CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC000095441934 524757325 /nfs/dbraw/zinc/75/73/25/524757325.db2.gz BCBMGKPTHXIUHP-MRXNPFEDSA-N 0 0 383.492 4.243 50 30 GIEARN Cc1ccc(NC(=NOCc2c(C)ccc3ccccc32)c2nonc2N)cc1 ZINC000013591068 524913107 /nfs/dbraw/zinc/91/31/07/524913107.db2.gz PFIWREIIAKPJOA-UHFFFAOYSA-N 0 0 387.443 4.412 50 30 GIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccs2)no1 ZINC000013569934 525049663 /nfs/dbraw/zinc/04/96/63/525049663.db2.gz RAOCRJYLVJZKGN-KRWDZBQOSA-N 0 0 380.425 4.136 50 30 GIEARN CS(=O)(=O)Nc1ccc(C#CCOc2ccccc2)cc1Oc1ccccc1 ZINC000095101125 525217591 /nfs/dbraw/zinc/21/75/91/525217591.db2.gz IVNAJYVGHYFOTB-UHFFFAOYSA-N 0 0 393.464 4.281 50 30 GIEARN COc1ccc([C@H]2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)[C@H]32)cc1OC ZINC000100414686 525394758 /nfs/dbraw/zinc/39/47/58/525394758.db2.gz YKTRXNDOVJDMTN-UNMCSNQZSA-N 0 0 387.435 4.110 50 30 GIEARN Cc1ccc(-c2ccc(C=NNC(=S)Nc3ccccc3)o2)cc1[N+](=O)[O-] ZINC000252627067 525751089 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N#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)c1cccc(Br)c1 ZINC000230136416 526509808 /nfs/dbraw/zinc/50/98/08/526509808.db2.gz HXNUJUOBNNISDP-LZWOXQAQSA-N 0 0 391.215 4.212 50 30 GIEARN N#C[C@H](NC(=O)CSCC(=O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000066392724 526510006 /nfs/dbraw/zinc/51/00/06/526510006.db2.gz LNBIRCKQOPSORL-HNNXBMFYSA-N 0 0 393.295 4.290 50 30 GIEARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000013551813 526675703 /nfs/dbraw/zinc/67/57/03/526675703.db2.gz WIJHENCDNLUGRH-YCRPNKLZSA-N 0 0 388.423 4.352 50 30 GIEARN Cc1noc2c1[C@H](c1cccc(O)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000033321078 526676461 /nfs/dbraw/zinc/67/64/61/526676461.db2.gz MSSJPODBZQWZQP-VFNWGFHPSA-N 0 0 388.423 4.352 50 30 GIEARN O=C(c1ccco1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccc(Cl)c1 ZINC000001117618 526825144 /nfs/dbraw/zinc/82/51/44/526825144.db2.gz JHESHQGJKDGYKA-KRWDZBQOSA-N 0 0 383.787 4.305 50 30 GIEARN C#CCN(Cc1ccc(C)cc1)C(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000058007896 526904114 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4.469 50 30 GIEARN NS(=O)(=O)c1ccc(CCNC=C2CCCC(=Cc3ccccc3)C2=O)cc1 ZINC000033710157 527309283 /nfs/dbraw/zinc/30/92/83/527309283.db2.gz ALTREUJMJNUFBK-NZWMEJTDSA-N 0 0 396.512 4.027 50 30 GIEARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(NC=C3CCCCC3=O)cc2)cc1 ZINC000006275634 527317996 /nfs/dbraw/zinc/31/79/96/527317996.db2.gz UWNYGQXXCBLICD-SAPNQHFASA-N 0 0 398.484 4.129 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C)cc1 ZINC000002452090 527337445 /nfs/dbraw/zinc/33/74/45/527337445.db2.gz KIJUQKAIZZPDSU-UHFFFAOYSA-N 0 0 382.464 4.309 50 30 GIEARN O=[N+]([O-])c1ccc(OCCOc2ccc(/C(=N\O)c3ccccc3)cc2)cc1 ZINC000028293966 527372749 /nfs/dbraw/zinc/37/27/49/527372749.db2.gz MPMHHNIIGVZOOB-DQRAZIAOSA-N 0 0 378.384 4.279 50 30 GIEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2coc4ccccc4c2=O)CC(=O)O3)C1=O ZINC000217626511 527389492 /nfs/dbraw/zinc/38/94/92/527389492.db2.gz SXRPTQSQZCKQQH-CQSZACIVSA-N 0 0 388.375 4.103 50 30 GIEARN O=C(NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000019939065 527466488 /nfs/dbraw/zinc/46/64/88/527466488.db2.gz YQCLSXHFWJWUJA-UHFFFAOYSA-N 0 0 394.290 4.166 50 30 GIEARN Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccccc1 ZINC000032972336 527629377 /nfs/dbraw/zinc/62/93/77/527629377.db2.gz MLRCGENIAMDUNJ-UHFFFAOYSA-N 0 0 395.894 4.088 50 30 GIEARN CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(N3CCCC3)c2CO1 ZINC000095479679 527771411 /nfs/dbraw/zinc/77/14/11/527771411.db2.gz QKEJDFOUFSKVDD-UHFFFAOYSA-N 0 0 376.504 4.059 50 30 GIEARN CCCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 ZINC000008450005 528121004 /nfs/dbraw/zinc/12/10/04/528121004.db2.gz FDZIZJWPHNBTAW-LPTDTENNSA-N 0 0 383.488 4.488 50 30 GIEARN CCCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097944168 528127712 /nfs/dbraw/zinc/12/77/12/528127712.db2.gz HCSKCZJAJYIPFM-AWEZNQCLSA-N 0 0 380.558 4.065 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(Cl)ccc2C)c1 ZINC000046129145 570211094 /nfs/dbraw/zinc/21/10/94/570211094.db2.gz WTQFAIOVBFIDQB-SFHVURJKSA-N 0 0 385.895 4.334 50 30 GIEARN Cc1ccc(Cl)cc1NC(=NC(=O)c1cccc(F)c1)NC[C@@H]1CCCO1 ZINC000046129169 570211103 /nfs/dbraw/zinc/21/11/03/570211103.db2.gz PEAOMSBQYRSSHQ-KRWDZBQOSA-N 0 0 389.858 4.164 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2C)cc1 ZINC000046130067 570211399 /nfs/dbraw/zinc/21/13/99/570211399.db2.gz RBGXEIVMJWDUEB-FQEVSTJZSA-N 0 0 379.504 4.243 50 30 GIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 ZINC000046130671 570211645 /nfs/dbraw/zinc/21/16/45/570211645.db2.gz HAUFTZPIMGCCSU-OAQYLSRUSA-N 0 0 395.503 4.196 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(CC)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046133376 570212016 /nfs/dbraw/zinc/21/20/16/570212016.db2.gz ZZADTMUGRKBHGP-NRFANRHFSA-N 0 0 379.504 4.188 50 30 GIEARN CN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1Br ZINC000047862952 570215732 /nfs/dbraw/zinc/21/57/32/570215732.db2.gz QJFPQWIGEPTBFZ-UHFFFAOYSA-N 0 0 387.277 4.138 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccncc1 ZINC000019761107 570216924 /nfs/dbraw/zinc/21/69/24/570216924.db2.gz UIMHKPLZMQTIFC-PGRDOPGGSA-N 0 0 388.467 4.006 50 30 GIEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 ZINC000013690432 570242239 /nfs/dbraw/zinc/24/22/39/570242239.db2.gz WLHKTMRXFKIHMW-UHFFFAOYSA-N 0 0 398.484 4.277 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccnc1 ZINC000002394302 570252682 /nfs/dbraw/zinc/25/26/82/570252682.db2.gz PVVGUWABVKVMOV-UHFFFAOYSA-N 0 0 399.907 4.219 50 30 GIEARN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3C)cc2)cc1 ZINC000001170218 570253069 /nfs/dbraw/zinc/25/30/69/570253069.db2.gz XQEBUFPSGNXILF-HZHRSRAPSA-N 0 0 394.496 4.195 50 30 GIEARN CSc1ccccc1C(=O)O/N=C(\c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000001211813 570258523 /nfs/dbraw/zinc/25/85/23/570258523.db2.gz PJJYXDRGLCMEGO-QOCHGBHMSA-N 0 0 393.424 4.321 50 30 GIEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)O3)C1 ZINC000020533324 570265444 /nfs/dbraw/zinc/26/54/44/570265444.db2.gz OJSCKPWZPIBZSG-LPKQHDGYSA-N 0 0 394.427 4.149 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1Cl ZINC000025695346 570271050 /nfs/dbraw/zinc/27/10/50/570271050.db2.gz LLAVYNCRKPBOEK-QGZVFWFLSA-N 0 0 377.843 4.256 50 30 GIEARN CC(N=Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000043761245 570271428 /nfs/dbraw/zinc/27/14/28/570271428.db2.gz BZZALXZUQMQGCD-LPYMAVHISA-N 0 0 378.457 4.465 50 30 GIEARN C=CCn1c(SCc2ccccc2F)nnc1[C@H]1COc2ccccc2O1 ZINC000021088346 570284099 /nfs/dbraw/zinc/28/40/99/570284099.db2.gz XSHNURKBNZPKCV-GOSISDBHSA-N 0 0 383.448 4.408 50 30 GIEARN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002374686 570284965 /nfs/dbraw/zinc/28/49/65/570284965.db2.gz NEFJMCURUIQCFW-GOSISDBHSA-N 0 0 394.519 4.453 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2cccc3ncccc32)nnc1C1CC1 ZINC000023517347 570300653 /nfs/dbraw/zinc/30/06/53/570300653.db2.gz SPOMGDHAWVULLA-CYBMUJFWSA-N 0 0 379.489 4.009 50 30 GIEARN C=CCn1c(SCc2nnc(C)o2)nc2cc(-c3ccccc3)sc2c1=O ZINC000024268041 570301698 /nfs/dbraw/zinc/30/16/98/570301698.db2.gz HSHSVPWHIDRHCG-UHFFFAOYSA-N 0 0 396.497 4.295 50 30 GIEARN C=CCn1c(SCc2nc(C)no2)nc2cc(-c3ccccc3)sc2c1=O ZINC000025049676 570303940 /nfs/dbraw/zinc/30/39/40/570303940.db2.gz HAICLQMLZJBIEL-UHFFFAOYSA-N 0 0 396.497 4.295 50 30 GIEARN C=CCn1c(SCc2nc(CC(C)C)no2)nc2ccc(Cl)cc2c1=O ZINC000025059638 570304061 /nfs/dbraw/zinc/30/40/61/570304061.db2.gz YZGRBMMSEQFCNP-UHFFFAOYSA-N 0 0 390.896 4.110 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000002844409 570307820 /nfs/dbraw/zinc/30/78/20/570307820.db2.gz OTAYBVMRRAFUDU-XCLFUZPHSA-N 0 0 383.469 4.266 50 30 GIEARN COc1cccc(/C=C/c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 ZINC000004840523 570313408 /nfs/dbraw/zinc/31/34/08/570313408.db2.gz VRKAOSFWCZTGEL-ZHACJKMWSA-N 0 0 386.455 4.052 50 30 GIEARN C=CCc1ccc(OCC(=O)NCc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000016301610 570323771 /nfs/dbraw/zinc/32/37/71/570323771.db2.gz XWVDANBSCGMXAX-UHFFFAOYSA-N 0 0 379.378 4.138 50 30 GIEARN N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000006231209 570344995 /nfs/dbraw/zinc/34/49/95/570344995.db2.gz PZSPWCHMWOHODK-UHFFFAOYSA-N 0 0 390.826 4.460 50 30 GIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1 ZINC000004005489 570354092 /nfs/dbraw/zinc/35/40/92/570354092.db2.gz JMKJZHKMDUEINT-SGNDLWITSA-N 0 0 377.484 4.394 50 30 GIEARN CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000004898770 570358758 /nfs/dbraw/zinc/35/87/58/570358758.db2.gz WTXYTRDODISRJZ-YGHXBTADSA-N 0 0 381.501 4.329 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004918404 570365690 /nfs/dbraw/zinc/36/56/90/570365690.db2.gz UAFWPSXFDVHBJQ-AVRDEDQJSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1cccs1 ZINC000004919918 570366054 /nfs/dbraw/zinc/36/60/54/570366054.db2.gz MRBNONZOVPMMID-FOIQADDNSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918912 570366131 /nfs/dbraw/zinc/36/61/31/570366131.db2.gz HDZYEWCYSPHZKN-DNVCBOLYSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccccc1 ZINC000004919691 570366184 /nfs/dbraw/zinc/36/61/84/570366184.db2.gz QNPUHMAHUKIAGP-AVRDEDQJSA-N 0 0 380.440 4.023 50 30 GIEARN O=c1[nH][nH]c2c1[C@H](c1ccccc1C(F)(F)F)C1=C(N2)c2ccccc2C1=O ZINC000012349292 570369656 /nfs/dbraw/zinc/36/96/56/570369656.db2.gz ALRYIRZJOOGBGD-CYBMUJFWSA-N 0 0 383.329 4.299 50 30 GIEARN CCC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004952071 570380848 /nfs/dbraw/zinc/38/08/48/570380848.db2.gz IJPWHHSNVWXTKV-SQULJVTFSA-N 0 0 381.501 4.329 50 30 GIEARN COc1cccc(/C=C(\C)c2cc(=O)n3c4ccccc4[nH]c3c2C#N)c1OC ZINC000102909505 570383668 /nfs/dbraw/zinc/38/36/68/570383668.db2.gz HHEOWHDLGHXXRY-SDNWHVSQSA-N 0 0 385.423 4.230 50 30 GIEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1c(Cl)cc(Cl)cc1Cl ZINC000006322680 570388619 /nfs/dbraw/zinc/38/86/19/570388619.db2.gz UQRAATJEUUKYIR-UHFFFAOYSA-N 0 0 385.594 4.323 50 30 GIEARN CN(Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)Cc1c(F)cccc1Cl ZINC000024679249 570389560 /nfs/dbraw/zinc/38/95/60/570389560.db2.gz BHOURDJFAGYFKS-AWEZNQCLSA-N 0 0 394.837 4.148 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1 ZINC000004681040 570392655 /nfs/dbraw/zinc/39/26/55/570392655.db2.gz CGTGMNJQKCHQBI-BWORXHKJSA-N 0 0 387.892 4.320 50 30 GIEARN C=CCOc1ccccc1/C=C1\N=C(c2ccccc2Br)OC1=O ZINC000002850056 570393530 /nfs/dbraw/zinc/39/35/30/570393530.db2.gz FBIUWLLLOZYZKH-VBKFSLOCSA-N 0 0 384.229 4.358 50 30 GIEARN Oc1csc(NN=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 ZINC000004690694 570393578 /nfs/dbraw/zinc/39/35/78/570393578.db2.gz VMGUCYXEDNUTSK-DNTJNYDQSA-N 0 0 394.283 4.125 50 30 GIEARN COc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4[nH]3)o2)c([N+](=O)[O-])c1 ZINC000004725894 570398543 /nfs/dbraw/zinc/39/85/43/570398543.db2.gz MRKBVFOOAISIIL-RGVLZGJSSA-N 0 0 377.360 4.186 50 30 GIEARN C=CCn1c(SCc2ccc(F)cc2)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000002858502 570400754 /nfs/dbraw/zinc/40/07/54/570400754.db2.gz KVDKKGBKJMCJBY-HNNXBMFYSA-N 0 0 396.491 4.387 50 30 GIEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000004786595 570405713 /nfs/dbraw/zinc/40/57/13/570405713.db2.gz GTCTWVQERHMMOL-XOBRGWDASA-N 0 0 394.837 4.486 50 30 GIEARN O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ncnn3[C@H](c3cccs3)C12 ZINC000004866578 570413560 /nfs/dbraw/zinc/41/35/60/570413560.db2.gz ZJIBDAMRTPNERW-KZULUSFZSA-N 0 0 382.876 4.409 50 30 GIEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1c(F)cccc1F ZINC000090730546 570414077 /nfs/dbraw/zinc/41/40/77/570414077.db2.gz KDXCADOYNLWBEQ-UHFFFAOYSA-N 0 0 384.304 4.188 50 30 GIEARN CCO/C=N/c1c(C(=O)OCC)sc2nc(C)c3c(c12)CC(C)(C)OC3 ZINC000005092129 570415379 /nfs/dbraw/zinc/41/53/79/570415379.db2.gz OBCSEKYPDCILBD-KEBDBYFISA-N 0 0 376.478 4.329 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2C)cc1OC ZINC000004914413 570417856 /nfs/dbraw/zinc/41/78/56/570417856.db2.gz IFNONTKKZKGTJL-FUHWJXTLSA-N 0 0 391.467 4.017 50 30 GIEARN Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000004945097 570419255 /nfs/dbraw/zinc/41/92/55/570419255.db2.gz PFZIKKVOVIDYFJ-DJJJIMSYSA-N 0 0 380.835 4.249 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000005005179 570423229 /nfs/dbraw/zinc/42/32/29/570423229.db2.gz YVCIDBOMHBZLOW-ANKPHQHTSA-N 0 0 378.284 4.158 50 30 GIEARN C=CCOc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(F)cc2)cc1 ZINC000005061766 570427613 /nfs/dbraw/zinc/42/76/13/570427613.db2.gz NLCFUTZCBJMENR-XSFVSMFZSA-N 0 0 393.414 4.268 50 30 GIEARN C=CCN(Cc1ccc(Cl)s1)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000239869309 570430748 /nfs/dbraw/zinc/43/07/48/570430748.db2.gz CYCDXTRIZOSDNU-BDQBCWGISA-N 0 0 395.956 4.094 50 30 GIEARN Clc1ccccc1CN1CCN(N=Cc2ccccc2Br)CC1 ZINC000245238182 570434591 /nfs/dbraw/zinc/43/45/91/570434591.db2.gz FLTQNBFKEVWGHR-UHFFFAOYSA-N 0 0 392.728 4.254 50 30 GIEARN CCOc1ccc([C@@H]2[C@@H](C(C)=O)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1 ZINC000245257221 570434883 /nfs/dbraw/zinc/43/48/83/570434883.db2.gz XEOYUMVCLDBUCV-ZLNRFVROSA-N 0 0 383.451 4.201 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 ZINC000253534483 570445504 /nfs/dbraw/zinc/44/55/04/570445504.db2.gz AKMGOLMVBIBATQ-MIIDCZCFSA-N 0 0 382.548 4.386 50 30 GIEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)cc1 ZINC000011913844 570446779 /nfs/dbraw/zinc/44/67/79/570446779.db2.gz MJJZTWNQOFGNRP-HXUWFJFHSA-N 0 0 375.424 4.231 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000005818325 570458324 /nfs/dbraw/zinc/45/83/24/570458324.db2.gz YEOAFTSKHAENIH-NRFANRHFSA-N 0 0 384.435 4.481 50 30 GIEARN CCSc1nc2n(n1)[C@H](c1ccc(N(CC)CC)cc1)C1C(=O)CCCC1=N2 ZINC000006677829 570487615 /nfs/dbraw/zinc/48/76/15/570487615.db2.gz HCDWIEKURQEHKW-LJQANCHMSA-N 0 0 397.548 4.258 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000006813214 570494921 /nfs/dbraw/zinc/49/49/21/570494921.db2.gz QPBPPKGNIZWMST-IBGZPJMESA-N 0 0 399.874 4.263 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006812969 570495052 /nfs/dbraw/zinc/49/50/52/570495052.db2.gz CDRYZIFEGZNNHL-NRFANRHFSA-N 0 0 393.483 4.343 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000006819705 570495785 /nfs/dbraw/zinc/49/57/85/570495785.db2.gz UENDKUZODGGNTQ-CRAIPNDOSA-N 0 0 381.859 4.353 50 30 GIEARN NC(=S)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000002801870 570516887 /nfs/dbraw/zinc/51/68/87/570516887.db2.gz UGYUCNPOOURXPS-OMCISZLKSA-N 0 0 390.715 4.014 50 30 GIEARN COc1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]c2=O)cc1 ZINC000005268355 570540215 /nfs/dbraw/zinc/54/02/15/570540215.db2.gz DCABMAYQMCFQJB-XDJHFCHBSA-N 0 0 382.419 4.355 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006720027 570548488 /nfs/dbraw/zinc/54/84/88/570548488.db2.gz ORYQNXUXHRKLFS-IBGZPJMESA-N 0 0 394.427 4.282 50 30 GIEARN C[C@H]1CCc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)C1 ZINC000005347649 570562127 /nfs/dbraw/zinc/56/21/27/570562127.db2.gz QULJDXSJQIDKBT-LKYUAURQSA-N 0 0 377.473 4.015 50 30 GIEARN C[C@@H]1CCc2c(sc3ncn4nc(CO/N=C/c5ccccc5)nc4c23)C1 ZINC000005347648 570562149 /nfs/dbraw/zinc/56/21/49/570562149.db2.gz QULJDXSJQIDKBT-HKXVIOCSSA-N 0 0 377.473 4.015 50 30 GIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)NC(=O)CCS4)sc2C1 ZINC000032981862 570571068 /nfs/dbraw/zinc/57/10/68/570571068.db2.gz MZCGISBDONJETK-LLVKDONJSA-N 0 0 397.525 4.431 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccs1 ZINC000225510915 570581797 /nfs/dbraw/zinc/58/17/97/570581797.db2.gz OLCASSOXVDMHGR-OXJNMPFZSA-N 0 0 386.469 4.085 50 30 GIEARN CC(=O)Nc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000002639799 570592063 /nfs/dbraw/zinc/59/20/63/570592063.db2.gz QQWWSYSWQUEDAB-LBPRGKRZSA-N 0 0 399.541 4.434 50 30 GIEARN O=S(=O)(/N=C1/CCCCN1CCc1ccccc1)c1ccc(Cl)cc1 ZINC000039627053 570594093 /nfs/dbraw/zinc/59/40/93/570594093.db2.gz VJHXSSVOCOBVMI-VZCXRCSSSA-N 0 0 376.909 4.156 50 30 in-vitro GIEARN N#Cc1cccc(NC(=O)c2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)c1 ZINC000005504899 570615360 /nfs/dbraw/zinc/61/53/60/570615360.db2.gz BPCGKQOOHHABPL-UHFFFAOYSA-N 0 0 386.794 4.239 50 30 GIEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(F)cc1 ZINC000006813797 570617592 /nfs/dbraw/zinc/61/75/92/570617592.db2.gz ANGAKNILFPJQAN-LJQANCHMSA-N 0 0 377.371 4.197 50 30 GIEARN Cn1cc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3)o2)cn1 ZINC000006828156 570625277 /nfs/dbraw/zinc/62/52/77/570625277.db2.gz DSKCCHHXIKKOFD-CMDGGOBGSA-N 0 0 387.233 4.251 50 30 GIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1CC=CCC1 ZINC000226619534 570644935 /nfs/dbraw/zinc/64/49/35/570644935.db2.gz OSIKFLRVCQWUGW-WAIKUNEKSA-N 0 0 394.515 4.460 50 30 GIEARN Cn1c(CCc2ccccc2)nc2cc(NC(=O)c3ccc(C#N)cc3)ccc21 ZINC000033020498 570646049 /nfs/dbraw/zinc/64/60/49/570646049.db2.gz VVZFKQHGNNPTHD-UHFFFAOYSA-N 0 0 380.451 4.482 50 30 GIEARN COc1cc(C#N)ccc1OCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000024990373 570661917 /nfs/dbraw/zinc/66/19/17/570661917.db2.gz KHQKRWYIRKLTIC-UHFFFAOYSA-N 0 0 375.306 4.215 50 30 GIEARN S=C1N=NC(c2cc(-c3ccccc3)n[nH]2)N1N=Cc1ccccc1Cl ZINC000005626431 570675650 /nfs/dbraw/zinc/67/56/50/570675650.db2.gz YYCBLZVJOOEMEW-RGVLZGJSSA-N 0 0 380.864 4.160 50 30 GIEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 ZINC000005787705 570690416 /nfs/dbraw/zinc/69/04/16/570690416.db2.gz RYMPGGJRTMHOQD-INIZCTEOSA-N 0 0 392.789 4.452 50 30 GIEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000012630527 570692956 /nfs/dbraw/zinc/69/29/56/570692956.db2.gz KUZIZBNQPXQYDL-UHFFFAOYSA-N 0 0 395.875 4.206 50 30 GIEARN CC(=O)c1ccc(OCc2ccc(C#N)cc2)c(CSc2ncccn2)c1 ZINC000006905805 570698014 /nfs/dbraw/zinc/69/80/14/570698014.db2.gz ATTHKAQQVUEDJF-UHFFFAOYSA-N 0 0 375.453 4.422 50 30 GIEARN C=CCn1c(SCc2ccc(C#N)cc2)nnc1[C@@H]1COc2ccccc2O1 ZINC000006910608 570699238 /nfs/dbraw/zinc/69/92/38/570699238.db2.gz LHOAVUHZZLYSMB-IBGZPJMESA-N 0 0 390.468 4.141 50 30 GIEARN N#CCSc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn21 ZINC000006918736 570704037 /nfs/dbraw/zinc/70/40/37/570704037.db2.gz LBXXOXHNDHESRS-UHFFFAOYSA-N 0 0 384.468 4.160 50 30 GIEARN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc(Br)cc2)o1 ZINC000006925475 570707021 /nfs/dbraw/zinc/70/70/21/570707021.db2.gz DHYOPOLCADMONL-HJWRWDBZSA-N 0 0 387.233 4.251 50 30 GIEARN N#Cc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 ZINC000036446962 570711942 /nfs/dbraw/zinc/71/19/42/570711942.db2.gz SRRQKDVVKZMCFO-FQEVSTJZSA-N 0 0 379.510 4.267 50 30 GIEARN NC(=NOCc1c(Cl)ccc2cccnc21)c1ccnc(N2CCCCC2)c1 ZINC000058381625 570730188 /nfs/dbraw/zinc/73/01/88/570730188.db2.gz VHOGXMAAQQQFTO-UHFFFAOYSA-N 0 0 395.894 4.111 50 30 GIEARN Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)Nc3ccccc3C#N)c12 ZINC000036615781 570751120 /nfs/dbraw/zinc/75/11/20/570751120.db2.gz JJDSDCPKFKKYQP-UHFFFAOYSA-N 0 0 385.402 4.300 50 30 GIEARN C=CCOC(=O)C1=C(C)NC(=S)[C@](C#N)(CC=C)[C@@H]1c1ccccc1Cl ZINC000100969391 570784133 /nfs/dbraw/zinc/78/41/33/570784133.db2.gz SNVDSJZFACZEPJ-XLIONFOSSA-N 0 0 386.904 4.443 50 30 GIEARN CC(=O)OC/C=C1\CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000257355416 570785492 /nfs/dbraw/zinc/78/54/92/570785492.db2.gz APAJGQRLHCDZTD-NGLWFSPXSA-N 0 0 384.516 4.001 50 30 GIEARN N#CCSc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N ZINC000004450380 570788571 /nfs/dbraw/zinc/78/85/71/570788571.db2.gz WFIKCOHTZSCPIY-UHFFFAOYSA-N 0 0 377.347 4.026 50 30 GIEARN CC(=O)O/N=C(\C)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(C)cc1 ZINC000261490817 570789166 /nfs/dbraw/zinc/78/91/66/570789166.db2.gz GDAZNLZHYSMLBN-YDZHTSKRSA-N 0 0 378.428 4.443 50 30 GIEARN C=C(C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)[C@H](CCc3cccc(OC)c3)[C@@]2(O)C1 ZINC000261491437 570789555 /nfs/dbraw/zinc/78/95/55/570789555.db2.gz YMVWTIQGAXVLGB-VWGOBRJMSA-N 0 0 381.516 4.470 50 30 GIEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005860926 570798198 /nfs/dbraw/zinc/79/81/98/570798198.db2.gz ZOCMQGWSCJSENO-INIZCTEOSA-N 0 0 395.528 4.471 50 30 GIEARN O=C(/C=C(/c1ccc([N+](=O)[O-])cc1)n1cncn1)c1ccc(Cl)cc1Cl ZINC000004473727 570798571 /nfs/dbraw/zinc/79/85/71/570798571.db2.gz SNLLJDKZURNOIR-PXNMLYILSA-N 0 0 389.198 4.265 50 30 GIEARN COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)c1cccs1 ZINC000004487807 570804030 /nfs/dbraw/zinc/80/40/30/570804030.db2.gz RQNFBLCBZAYAQM-UHFFFAOYSA-N 0 0 395.415 4.272 50 30 GIEARN CCc1cc(NC(=O)c2ccccc2Br)nn1-c1ccc(C#N)cc1 ZINC000034907301 570808225 /nfs/dbraw/zinc/80/82/25/570808225.db2.gz QZMYPASAXCRJCJ-UHFFFAOYSA-N 0 0 395.260 4.321 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)n1 ZINC000036784203 570813406 /nfs/dbraw/zinc/81/34/06/570813406.db2.gz WKZLAIQOQJPXPA-OAHLLOKOSA-N 0 0 379.407 4.202 50 30 GIEARN Cc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCCCO4)cc1 ZINC000101367082 570820166 /nfs/dbraw/zinc/82/01/66/570820166.db2.gz XCFCCNKGCZOUDL-UHFFFAOYSA-N 0 0 383.451 4.199 50 30 GIEARN CCCc1c/c(=N\c2ccc(NC(C)=O)cc2)n2c3ccccc3[nH]c2c1C#N ZINC000101498240 570825534 /nfs/dbraw/zinc/82/55/34/570825534.db2.gz ZUHCMVKOJJEDDC-XTCLZLMSSA-N 0 0 383.455 4.436 50 30 GIEARN C=CCNC(=S)N/N=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000004511107 570827906 /nfs/dbraw/zinc/82/79/06/570827906.db2.gz SWJOLGLPILAURX-BUVRLJJBSA-N 0 0 375.497 4.403 50 30 GIEARN N#CCCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 ZINC000012533590 570834749 /nfs/dbraw/zinc/83/47/49/570834749.db2.gz OXRKOBBWVPGVEG-UHFFFAOYSA-N 0 0 388.855 4.394 50 30 GIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl ZINC000102045884 570839603 /nfs/dbraw/zinc/83/96/03/570839603.db2.gz MDQMQPMNMZTKHN-GOSISDBHSA-N 0 0 391.858 4.384 50 30 GIEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3ccccc31)CCCC2 ZINC000003244972 570840776 /nfs/dbraw/zinc/84/07/76/570840776.db2.gz FZTSSQBWECGHOW-UHFFFAOYSA-N 0 0 380.498 4.173 50 30 GIEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccc(Cl)cc1 ZINC000004699893 570843682 /nfs/dbraw/zinc/84/36/82/570843682.db2.gz PBIWTBKHSZSYLA-XAIYEJPOSA-N 0 0 391.855 4.069 50 30 GIEARN CCCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000004699733 570843695 /nfs/dbraw/zinc/84/36/95/570843695.db2.gz JMADXLJUGXISQL-UHFFFAOYSA-N 0 0 399.541 4.414 50 30 GIEARN N#Cc1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000102247129 570843780 /nfs/dbraw/zinc/84/37/80/570843780.db2.gz DQSADJQFQKEFKN-MRXNPFEDSA-N 0 0 385.324 4.364 50 30 GIEARN COc1cccc(NC(=O)[C@@H](Oc2ccc(C#N)cc2OC)c2ccccc2)c1 ZINC000007470592 570846949 /nfs/dbraw/zinc/84/69/49/570846949.db2.gz KGQSJCJSQBFVHS-QFIPXVFZSA-N 0 0 388.423 4.334 50 30 GIEARN Cc1cccc(C(=O)N[C@H](C(=O)Nc2sc3c(c2C#N)CCCC3)C(C)C)c1 ZINC000003411167 570865792 /nfs/dbraw/zinc/86/57/92/570865792.db2.gz RCGFEYIXPUQEHP-IBGZPJMESA-N 0 0 395.528 4.200 50 30 GIEARN O=C(Cc1c(F)c(F)c(F)c(F)c1F)N[C@H]1CCCC[C@H]1C(F)(F)F ZINC000102832491 570866349 /nfs/dbraw/zinc/86/63/49/570866349.db2.gz JSOZRCAMBDMBHB-SFYZADRCSA-N 0 0 375.259 4.162 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(C)c2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000170615344 570873030 /nfs/dbraw/zinc/87/30/30/570873030.db2.gz URLBJHJWUSHIBL-WMZHIEFXSA-N 0 0 394.467 4.332 50 30 GIEARN C=CCn1c(=N)c2c(nc1SCC(=O)c1ccccc1)S[C@H]1CCC[C@@H]21 ZINC000103138260 570877185 /nfs/dbraw/zinc/87/71/85/570877185.db2.gz ZIWQKINRDNGATQ-ZBFHGGJFSA-N 0 0 383.542 4.265 50 30 GIEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccsc2)NC(=O)N1c1ccc(C#N)cc1 ZINC000032891512 570888860 /nfs/dbraw/zinc/88/88/60/570888860.db2.gz DVUYFMVWRNJOKY-GOSISDBHSA-N 0 0 381.457 4.116 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F ZINC000097104932 570894032 /nfs/dbraw/zinc/89/40/32/570894032.db2.gz PNTDIEXDDQEUDV-XMSQKQJNSA-N 0 0 398.430 4.162 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000104210192 570898125 /nfs/dbraw/zinc/89/81/25/570898125.db2.gz GGNIQIBAUGRRDL-MRJHHRETSA-N 0 0 384.435 4.325 50 30 GIEARN COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccco2)CC(=O)O3)C1=O ZINC000263586326 570918974 /nfs/dbraw/zinc/91/89/74/570918974.db2.gz SQUDOWASYIFVKP-VUQQOUJSSA-N 0 0 388.375 4.345 50 30 GIEARN N#Cc1ccc(CNc2cc(Cl)ccc2C(=O)N2CCCC[C@@H]2CCO)cc1 ZINC000032913402 570921429 /nfs/dbraw/zinc/92/14/29/570921429.db2.gz BEGTUQNXQNTRJZ-LJQANCHMSA-N 0 0 397.906 4.201 50 30 GIEARN O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccc(F)c1 ZINC000016672856 570930279 /nfs/dbraw/zinc/93/02/79/570930279.db2.gz RJBIXUYKOYLHRC-ZROIWOOFSA-N 0 0 377.238 4.480 50 30 GIEARN O=C[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001236719 570944873 /nfs/dbraw/zinc/94/48/73/570944873.db2.gz PJVCFMWHRGYLTG-DOTOQJQBSA-N 0 0 383.494 4.068 50 30 GIEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2Cl)cc1 ZINC000252429355 570955524 /nfs/dbraw/zinc/95/55/24/570955524.db2.gz GOZRNYXAUHLSAG-UHFFFAOYSA-N 0 0 379.272 4.431 50 30 GIEARN O=C(Nc1ccccc1)c1ccccc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000252463202 570961198 /nfs/dbraw/zinc/96/11/98/570961198.db2.gz ZPGOJSAXRPXJML-UHFFFAOYSA-N 0 0 389.367 4.326 50 30 GIEARN CCc1cccc2c1NC(=O)/C2=C1\SC(=Nc2ccc(Cl)cc2)N(C)C1=O ZINC000252596822 571003716 /nfs/dbraw/zinc/00/37/16/571003716.db2.gz CMTKACJSQFVABG-YXUJNWBGSA-N 0 0 397.887 4.459 50 30 GIEARN C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)cc(OC)c1O ZINC000252602412 571006197 /nfs/dbraw/zinc/00/61/97/571006197.db2.gz FHMHAKHMSNXNKW-CTNAHEIOSA-N 0 0 380.469 4.363 50 30 GIEARN CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=Nc1ccc(OC)cc1 ZINC000252606652 571007215 /nfs/dbraw/zinc/00/72/15/571007215.db2.gz GTZQBVNSDHVHSG-RYBWPTGJSA-N 0 0 382.441 4.048 50 30 GIEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000109385329 571008099 /nfs/dbraw/zinc/00/80/99/571008099.db2.gz PRVWZLMJGSIEJW-MOBKVPTQSA-N 0 0 398.462 4.379 50 30 GIEARN Cc1ccc(-c2noc(CCCSc3nnc(C)c(C)c3C#N)n2)cc1F ZINC000012762710 571013146 /nfs/dbraw/zinc/01/31/46/571013146.db2.gz VFMWNKDIQZPHAW-UHFFFAOYSA-N 0 0 383.452 4.188 50 30 GIEARN Cc1cc(C)n(-c2nc(N=NCc3ccc(C)cc3)nc(Nc3ccccc3)n2)n1 ZINC000252613116 571016661 /nfs/dbraw/zinc/01/66/61/571016661.db2.gz IYQLAMIKDXTRMQ-UHFFFAOYSA-N 0 0 398.474 4.172 50 30 GIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1ccccc1C ZINC000252617886 571019591 /nfs/dbraw/zinc/01/95/91/571019591.db2.gz LAKOQJCNXOHSFQ-SFHVURJKSA-N 0 0 397.475 4.280 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(F)cc1)NCc1ccccn1 ZINC000046125258 571024049 /nfs/dbraw/zinc/02/40/49/571024049.db2.gz ROTFCPSYHKOPAO-UHFFFAOYSA-N 0 0 392.434 4.018 50 30 GIEARN CC[C@@H]1CCc2sc(C(=O)OCC([O-])=C(C#N)c3nc(C)cs3)cc2C1 ZINC000007779919 571037198 /nfs/dbraw/zinc/03/71/98/571037198.db2.gz ZTANFLFFKPNQJN-TZMCWYRMSA-N 0 0 388.514 4.061 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000012784626 571037852 /nfs/dbraw/zinc/03/78/52/571037852.db2.gz ITLQPAWLLQVTEK-QKKBWIMNSA-N 0 0 394.500 4.425 50 30 GIEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)C1CCN2CC1 ZINC000000664861 817372857 /nfs/dbraw/zinc/37/28/57/817372857.db2.gz POSSWFZBBZCNKG-UHFFFAOYSA-N 0 0 384.892 4.035 50 30 GIEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)N1 ZINC000002247052 817380738 /nfs/dbraw/zinc/38/07/38/817380738.db2.gz WWQAACRTNOQRNC-KRWDZBQOSA-N 0 0 379.851 4.335 50 30 GIEARN CCC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccccc2)N1 ZINC000002251038 817381221 /nfs/dbraw/zinc/38/12/21/817381221.db2.gz OWMDRGZQTYBAPP-QGZVFWFLSA-N 0 0 379.851 4.335 50 30 GIEARN CCOC(=O)c1sc(=S)n(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002316228 817384017 /nfs/dbraw/zinc/38/40/17/817384017.db2.gz DOEKJGDXCYNWPE-UHFFFAOYSA-N 0 0 381.435 4.020 50 30 GIEARN N#Cc1c2nc3ccccc3nc2n2ccc(NC(=O)c3ccc(F)cc3)cc12 ZINC000002337564 817384667 /nfs/dbraw/zinc/38/46/67/817384667.db2.gz DXADQTITZAMPLJ-UHFFFAOYSA-N 0 0 381.370 4.299 50 30 GIEARN COc1ccc(C(=O)Nc2ccc3c(C#N)c4nc5ccccc5nc4n3c2)cc1 ZINC000002338354 817385001 /nfs/dbraw/zinc/38/50/01/817385001.db2.gz RYIWIUXZFHYETP-UHFFFAOYSA-N 0 0 393.406 4.168 50 30 GIEARN CCCOc1c(Br)cc(C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000002653096 817396314 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C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1ccc(C#N)cc1 ZINC000003344183 817439854 /nfs/dbraw/zinc/43/98/54/817439854.db2.gz UAOXSFPNIFNWGC-SNVBAGLBSA-N 0 0 379.641 4.380 50 30 GIEARN CCN(CC)c1nc2nc(C)nc3[nH]c4c(c(c1C#N)c23)C[C@@H](c1ccccc1)O4 ZINC000003358612 817441942 /nfs/dbraw/zinc/44/19/42/817441942.db2.gz OJEAXBBAZLYBOG-KRWDZBQOSA-N 0 0 398.470 4.209 50 30 GIEARN N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000003359982 817442600 /nfs/dbraw/zinc/44/26/00/817442600.db2.gz YEQKTJTZXYJGFR-UHFFFAOYSA-N 0 0 393.447 4.022 50 30 GIEARN COc1ccc(CCC(=O)N2C[C@H](C)S/C2=N\CCc2ccccc2)cc1 ZINC000003398762 817448611 /nfs/dbraw/zinc/44/86/11/817448611.db2.gz SFCKIHWNUVUULH-ANZZGNCFSA-N 0 0 382.529 4.190 50 30 GIEARN C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000003458751 817460313 /nfs/dbraw/zinc/46/03/13/817460313.db2.gz DETOTQKKPIVIFY-LBPRGKRZSA-N 0 0 390.574 4.476 50 30 GIEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000003555064 817484770 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212228682 /nfs/dbraw/zinc/22/86/82/212228682.db2.gz PXPJLOGHQOKOQR-INIZCTEOSA-N 0 0 390.208 4.077 50 30 GIEARN S=C(NCc1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 ZINC000001185512 212227275 /nfs/dbraw/zinc/22/72/75/212227275.db2.gz QMRILPKTKJOGRE-LFVJCYFKSA-N 0 0 375.497 4.264 50 30 GIEARN N#Cc1cc(Sc2nc3ccccc3s2)c(N2CCOCC2)cc1C#N ZINC000001087507 212216794 /nfs/dbraw/zinc/21/67/94/212216794.db2.gz WNRGVLQJWBXNJO-UHFFFAOYSA-N 0 0 378.482 4.027 50 30 GIEARN Cc1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)c1C ZINC000001087734 212216567 /nfs/dbraw/zinc/21/65/67/212216567.db2.gz XPDOKXYNZXNPFK-OAHLLOKOSA-N 0 0 393.512 4.107 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1c1ccccc1 ZINC000001079964 212215205 /nfs/dbraw/zinc/21/52/05/212215205.db2.gz IMFKAJVJQYZBAB-WIYYLYMNSA-N 0 0 394.427 4.135 50 30 GIEARN Cc1ccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CCCC3=O)cc1 ZINC000001079932 212215185 /nfs/dbraw/zinc/21/51/85/212215185.db2.gz RUUGVSRGHLBSQT-GOSISDBHSA-N 0 0 376.412 4.431 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1Cl ZINC000001030507 212207118 /nfs/dbraw/zinc/20/71/18/212207118.db2.gz XGMRVFSUVMUNCX-MRXNPFEDSA-N 0 0 399.796 4.500 50 30 GIEARN CCOC(=O)c1ccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001064906 212212013 /nfs/dbraw/zinc/21/20/13/212212013.db2.gz VSFONMYTVFFPRE-SFHVURJKSA-N 0 0 399.830 4.006 50 30 GIEARN COc1cc(OC)c(/C=N/c2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000000943137 212196720 /nfs/dbraw/zinc/19/67/20/212196720.db2.gz SNSDNNCLKUTJLN-GIJQJNRQSA-N 0 0 379.210 4.434 50 30 GIEARN CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N ZINC000000869796 212191246 /nfs/dbraw/zinc/19/12/46/212191246.db2.gz MHMRCQPNANOZCN-UHFFFAOYSA-N 0 0 396.438 4.223 50 30 GIEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)cc2)sc1C(=O)N1CCCCC1 ZINC000000817966 212185649 /nfs/dbraw/zinc/18/56/49/212185649.db2.gz RJTNMSHOTMLLND-UHFFFAOYSA-N 0 0 387.892 4.460 50 30 GIEARN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000000726218 212178459 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CCCOC(=O)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1 ZINC000002431893 212147096 /nfs/dbraw/zinc/14/70/96/212147096.db2.gz LOZQDALLPDECRT-UHFFFAOYSA-N 0 0 379.368 4.054 50 30 GIEARN C=CCn1c(SCCCC(=O)N2CCCCC2)nnc1-c1cccc(C)c1 ZINC000170605540 212114525 /nfs/dbraw/zinc/11/45/25/212114525.db2.gz WCAURWYXNVFQSC-UHFFFAOYSA-N 0 0 384.549 4.324 50 30 GIEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1OC ZINC000217897723 212112618 /nfs/dbraw/zinc/11/26/18/212112618.db2.gz GUFBEPRJPWNXND-MRXNPFEDSA-N 0 0 392.407 4.198 50 30 GIEARN C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCC)C3 ZINC000019940223 212106467 /nfs/dbraw/zinc/10/64/67/212106467.db2.gz SFKKRTIIRBCYQW-UHFFFAOYSA-N 0 0 397.569 4.493 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1C ZINC000002199990 212101860 /nfs/dbraw/zinc/10/18/60/212101860.db2.gz UPRQMBVRWDLOIQ-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCOc1ccc(Br)cc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000002144522 212101999 /nfs/dbraw/zinc/10/19/99/212101999.db2.gz 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C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc2c(c1)OCO2)CCC3 ZINC000000985913 212099499 /nfs/dbraw/zinc/09/94/99/212099499.db2.gz VBFRGMQJKGSEAC-UHFFFAOYSA-N 0 0 398.509 4.154 50 30 GIEARN C#CCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000016062109 212099239 /nfs/dbraw/zinc/09/92/39/212099239.db2.gz UCJNZSMZLUPKLI-UHFFFAOYSA-N 0 0 378.284 4.124 50 30 GIEARN C=CCc1cccc2cc(C(=O)NCCc3c(C)[nH]c4ccccc43)c(=O)oc21 ZINC000001075311 212100303 /nfs/dbraw/zinc/10/03/03/212100303.db2.gz PHOJAKYDESFKMC-UHFFFAOYSA-N 0 0 386.451 4.284 50 30 GIEARN C=CCn1c(SC2=CS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 ZINC000009145318 212096664 /nfs/dbraw/zinc/09/66/64/212096664.db2.gz MBCYKWZTYHMXNN-UHFFFAOYSA-N 0 0 381.482 4.009 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@H]1c1cccc(OC)c1 ZINC000006743259 212083389 /nfs/dbraw/zinc/08/33/89/212083389.db2.gz SSDUSCTVZACFPK-JOCHJYFZSA-N 0 0 389.455 4.139 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000007016043 212083172 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Cc1ccc(S(=O)(=O)OC2=C(C)C(=O)O[C@@H](c3ccccc3)C2(C)C)cc1 ZINC000002343253 220523622 /nfs/dbraw/zinc/52/36/22/220523622.db2.gz NTTVAJUQHSLXOQ-IBGZPJMESA-N 0 0 386.469 4.299 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(C)cc1 ZINC000002886926 220581612 /nfs/dbraw/zinc/58/16/12/220581612.db2.gz SVARXLWOGBQWTC-UHFFFAOYSA-N 0 0 379.485 4.423 50 30 GIEARN CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000004062147 220676860 /nfs/dbraw/zinc/67/68/60/220676860.db2.gz QUMUZJLMOYNZLA-OAQYLSRUSA-N 0 0 399.487 4.015 50 30 GIEARN C=CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)cc1OC ZINC000004679364 220745779 /nfs/dbraw/zinc/74/57/79/220745779.db2.gz UQNUSMYGPHKWDK-KIOXBDSISA-N 0 0 380.469 4.494 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(C)c2)cc1OC ZINC000004915410 220791547 /nfs/dbraw/zinc/79/15/47/220791547.db2.gz QMTATCFESREEKW-ZWKOTPCHSA-N 0 0 391.467 4.017 50 30 GIEARN CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccs2)cc1OC ZINC000004987424 220805762 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GIEARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1cccc(C#N)c1 ZINC000006028832 220913502 /nfs/dbraw/zinc/91/35/02/220913502.db2.gz CVHBTOJRPBXKJM-LBPRGKRZSA-N 0 0 389.440 4.209 50 30 GIEARN Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc(C)c1O ZINC000006023495 220914437 /nfs/dbraw/zinc/91/44/37/220914437.db2.gz OHPAVQYKYVBPJP-UHFFFAOYSA-N 0 0 380.469 4.257 50 30 GIEARN N#Cc1ccsc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000006229523 220925028 /nfs/dbraw/zinc/92/50/28/220925028.db2.gz INGFVJXDUDNYNN-UHFFFAOYSA-N 0 0 390.420 4.039 50 30 GIEARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cccc(C#N)c1 ZINC000006559775 220942148 /nfs/dbraw/zinc/94/21/48/220942148.db2.gz BWOGPFVVDUHXKU-GFCCVEGCSA-N 0 0 381.486 4.273 50 30 GIEARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000006603068 220944392 /nfs/dbraw/zinc/94/43/92/220944392.db2.gz FRVRRFDVZGFWGW-UHFFFAOYSA-N 0 0 387.395 4.459 50 30 GIEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1 ZINC000006819512 220967886 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Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(C#N)cc1F ZINC000009190330 221073098 /nfs/dbraw/zinc/07/30/98/221073098.db2.gz OMPRHXFADOBQKG-UHFFFAOYSA-N 0 0 389.365 4.131 50 30 GIEARN COc1ccc(-n2cc(C(=O)Nc3cccc(C#N)c3)c3ccccc3c2=O)cc1 ZINC000009433736 221081819 /nfs/dbraw/zinc/08/18/19/221081819.db2.gz YYRJJJLTFOFSDU-UHFFFAOYSA-N 0 0 395.418 4.123 50 30 GIEARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)cc1 ZINC000012323431 221181395 /nfs/dbraw/zinc/18/13/95/221181395.db2.gz QJBGDNJKUXOVFT-SGTLLEGYSA-N 0 0 394.456 4.119 50 30 GIEARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(C#N)cc1)n2CC ZINC000012603660 221214989 /nfs/dbraw/zinc/21/49/89/221214989.db2.gz YTCFBOROBSLLHN-UHFFFAOYSA-N 0 0 393.468 4.080 50 30 GIEARN N#Cc1ccsc1NC(=O)CCSc1nc(C2CC2)n(-c2ccccc2)n1 ZINC000012798530 221233682 /nfs/dbraw/zinc/23/36/82/221233682.db2.gz FFJWHBBVLQUWBT-UHFFFAOYSA-N 0 0 395.513 4.199 50 30 GIEARN Cc1cccc(C(=O)OCc2cn3ccccc3c2C#N)c1NC(=O)c1ccco1 ZINC000012840370 221237988 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GIEARN COc1ccc(OC)c([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CCC3)c1 ZINC000018200500 221390465 /nfs/dbraw/zinc/39/04/65/221390465.db2.gz IAOYBZKZTDUCCQ-NRFANRHFSA-N 0 0 395.455 4.286 50 30 GIEARN COc1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CCC3)c(OC)c1 ZINC000018200496 221390492 /nfs/dbraw/zinc/39/04/92/221390492.db2.gz LYJOWSIVOYFYPC-NRFANRHFSA-N 0 0 395.455 4.286 50 30 GIEARN CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cccnc3)C2)cc1 ZINC000018222368 221391230 /nfs/dbraw/zinc/39/12/30/221391230.db2.gz GKRSXUWRKQNIDF-GCJKJVERSA-N 0 0 385.471 4.212 50 30 GIEARN CCCC(=O)OCCNc1nc(SC)nc(-c2ccc(Cl)cc2)c1C#N ZINC000019794144 221454582 /nfs/dbraw/zinc/45/45/82/221454582.db2.gz FSMCZJKWVIBCPQ-UHFFFAOYSA-N 0 0 390.896 4.146 50 30 GIEARN COc1cc(/C=C2/CC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc(OC)c1O ZINC000096973211 533471071 /nfs/dbraw/zinc/47/10/71/533471071.db2.gz HXSORPIHQUUKEL-MICXRRPDSA-N 0 0 381.384 4.148 50 30 GIEARN Cc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(F)cc32)CC1 ZINC000064473727 136156771 /nfs/dbraw/zinc/15/67/71/136156771.db2.gz QKDYOHVXXAQOPN-UHFFFAOYSA-N 0 0 388.446 4.409 50 30 GIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)c(C(F)(F)F)c1 ZINC000040110792 221905685 /nfs/dbraw/zinc/90/56/85/221905685.db2.gz OWFMEEXQQJOPQW-UHFFFAOYSA-N 0 0 377.347 4.470 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1cccnc1)C3)C(=O)/C(=C\c1cccs1)O2 ZINC000057160273 222029417 /nfs/dbraw/zinc/02/94/17/222029417.db2.gz IDQWNWSTJOJFGR-DJKKODMXSA-N 0 0 390.464 4.420 50 30 GIEARN N#Cc1ccccc1C(=O)N1CCc2[nH]nc(-c3cccc4ccccc43)c2C1 ZINC000067688424 222154019 /nfs/dbraw/zinc/15/40/19/222154019.db2.gz TUNXXCUDTLOZCU-UHFFFAOYSA-N 0 0 378.435 4.300 50 30 GIEARN CN(C)c1cc(C(F)(F)F)nc(NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000071954325 222200385 /nfs/dbraw/zinc/20/03/85/222200385.db2.gz RMZFUMDMXCWSEG-UHFFFAOYSA-N 0 0 382.283 4.331 50 30 GIEARN N#Cc1cc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)ccc1F ZINC000072329833 222229302 /nfs/dbraw/zinc/22/93/02/222229302.db2.gz DRILHMUMAWZYLC-UHFFFAOYSA-N 0 0 381.215 4.385 50 30 GIEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC ZINC000096019774 222373260 /nfs/dbraw/zinc/37/32/60/222373260.db2.gz MUWYTCGMNNKLPY-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN N#Cc1cccnc1OC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000096102866 222380450 /nfs/dbraw/zinc/38/04/50/222380450.db2.gz TYEVTXYKPPHHTE-UHFFFAOYSA-N 0 0 397.478 4.155 50 30 GIEARN N#Cc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(F)cc3)s2)cc1 ZINC000097003055 222434396 /nfs/dbraw/zinc/43/43/96/222434396.db2.gz GEXJGMMYLHVHFE-CXUHLZMHSA-N 0 0 398.850 4.216 50 30 GIEARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(-c4ccccc4)ccc3C#N)C2=O)cc1 ZINC000100631657 222461412 /nfs/dbraw/zinc/46/14/12/222461412.db2.gz YYWZLPXVRMVRKT-FQEVSTJZSA-N 0 0 399.475 4.353 50 30 GIEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3cccnc3)cc2)cc1 ZINC000096767590 534213016 /nfs/dbraw/zinc/21/30/16/534213016.db2.gz FVUNWINEXUGINQ-MLPAPPSSSA-N 0 0 378.453 4.087 50 30 GIEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000060163565 518259905 /nfs/dbraw/zinc/25/99/05/518259905.db2.gz KIKCFXAIWNITMR-UHFFFAOYSA-N 0 0 399.462 4.297 50 30 GIEARN C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000101696362 518319532 /nfs/dbraw/zinc/31/95/32/518319532.db2.gz KDDBGUBESHMMOB-SFQUDFHCSA-N 0 0 395.256 4.267 50 30 GIEARN C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000004114896 518338622 /nfs/dbraw/zinc/33/86/22/518338622.db2.gz LWVKVHUQXOKDPM-ZRDIBKRKSA-N 0 0 378.453 4.132 50 30 GIEARN C(=N/N1CCN(Cc2ccccc2)CC1)\c1cccc(OCc2ccccc2)c1 ZINC000019790536 518375993 /nfs/dbraw/zinc/37/59/93/518375993.db2.gz UYQWKMGQNAOQLV-LGUFXXKBSA-N 0 0 385.511 4.417 50 30 GIEARN Cc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 ZINC000002623157 534361170 /nfs/dbraw/zinc/36/11/70/534361170.db2.gz OSSJTMXXGQMSRF-UHFFFAOYSA-N 0 0 382.514 4.414 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccncc1 ZINC000016788628 518639123 /nfs/dbraw/zinc/63/91/23/518639123.db2.gz BYQKUPJWAUIGBD-UHFFFAOYSA-N 0 0 393.516 4.264 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2ccccc2C)nc2ccccc2c1=O ZINC000001067615 518640540 /nfs/dbraw/zinc/64/05/40/518640540.db2.gz ZZIXOQOBBKLTQY-UHFFFAOYSA-N 0 0 379.485 4.012 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1ccccc1C ZINC000006743968 518797525 /nfs/dbraw/zinc/79/75/25/518797525.db2.gz CSWGUUMGFBISDM-UHFFFAOYSA-N 0 0 378.432 4.274 50 30 GIEARN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S ZINC000013546633 518823717 /nfs/dbraw/zinc/82/37/17/518823717.db2.gz CUEQMFRODZCHDF-YVLHZVERSA-N 0 0 399.497 4.390 50 30 GIEARN C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1ccccc1 ZINC000002825630 518845999 /nfs/dbraw/zinc/84/59/99/518845999.db2.gz UYLOSNRXLJAGQX-KYAFNBKBSA-N 0 0 393.512 4.450 50 30 GIEARN C=CCNC(=S)N/N=C/c1ccc(OCCCOc2ccc(C)c(C)c2)cc1 ZINC000004548055 518948117 /nfs/dbraw/zinc/94/81/17/518948117.db2.gz LAHWBTAHUPGFNA-LFVJCYFKSA-N 0 0 397.544 4.135 50 30 GIEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000028290234 518972952 /nfs/dbraw/zinc/97/29/52/518972952.db2.gz WBVNVRQCGHUXHU-IBGZPJMESA-N 0 0 380.469 4.001 50 30 GIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000016741344 519018527 /nfs/dbraw/zinc/01/85/27/519018527.db2.gz UDINUQUTXMEMRJ-HXUWFJFHSA-N 0 0 393.414 4.155 50 30 GIEARN C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)on2)c2ccccc2)cc1 ZINC000057363111 519031112 /nfs/dbraw/zinc/03/11/12/519031112.db2.gz IYCCDZZPIKAZME-JOCHJYFZSA-N 0 0 391.471 4.360 50 30 GIEARN C=CCSc1nnc(C)c(/C=C/NOCc2ccc(Cl)cc2Cl)n1 ZINC000100104801 519085293 /nfs/dbraw/zinc/08/52/93/519085293.db2.gz XDDWOXSBZNMMSV-VOTSOKGWSA-N 0 0 383.304 4.457 50 30 GIEARN C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc(Br)cc1F ZINC000032679067 519132303 /nfs/dbraw/zinc/13/23/03/519132303.db2.gz HECXTSWMODAGCV-UHFFFAOYSA-N 0 0 394.240 4.343 50 30 GIEARN C=CCc1ccccc1OCc1cc(=O)n2nc(-c3cccs3)sc2n1 ZINC000013367612 519146385 /nfs/dbraw/zinc/14/63/85/519146385.db2.gz ATRKOJSRNNWKQC-UHFFFAOYSA-N 0 0 381.482 4.187 50 30 GIEARN C=CCn1c(C)cc(C(=O)COC(=O)C=Cc2nc3ccccc3s2)c1C ZINC000033613995 519168452 /nfs/dbraw/zinc/16/84/52/519168452.db2.gz PYDKNJBTSZPLLA-KTKRTIGZSA-N 0 0 380.469 4.340 50 30 GIEARN C=CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1cccc(C)c1 ZINC000014968952 519181061 /nfs/dbraw/zinc/18/10/61/519181061.db2.gz GPCXBVAULWLRIR-UHFFFAOYSA-N 0 0 392.528 4.303 50 30 GIEARN C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccn1 ZINC000002246094 519211025 /nfs/dbraw/zinc/21/10/25/519211025.db2.gz KSXQOGOVNQRSGW-UHFFFAOYSA-N 0 0 393.516 4.182 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1 ZINC000004285980 519217551 /nfs/dbraw/zinc/21/75/51/519217551.db2.gz JITBGNKHPUILSI-UHFFFAOYSA-N 0 0 386.427 4.140 50 30 GIEARN C=CCn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1F ZINC000004357075 519229172 /nfs/dbraw/zinc/22/91/72/519229172.db2.gz WFXOEWPCKXOUFZ-UHFFFAOYSA-N 0 0 383.448 4.106 50 30 GIEARN CC#CC(=O)N1CCC(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000077381104 519329154 /nfs/dbraw/zinc/32/91/54/519329154.db2.gz MGVPCRLOWGVJOO-UHFFFAOYSA-N 0 0 380.875 4.207 50 30 GIEARN CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000009323830 519355131 /nfs/dbraw/zinc/35/51/31/519355131.db2.gz CNNLXBQQCYJTJD-VGOFMYFVSA-N 0 0 381.240 4.360 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl ZINC000017837856 519370757 /nfs/dbraw/zinc/37/07/57/519370757.db2.gz CHCNZKBGTSMEGO-INIZCTEOSA-N 0 0 384.844 4.439 50 30 GIEARN CCCCCC(=O)NC(=S)Nc1nc(C)c(C(=O)/C=C/c2ccco2)s1 ZINC000005501963 519930086 /nfs/dbraw/zinc/93/00/86/519930086.db2.gz VGEUZHPRBJYBGS-MDZDMXLPSA-N 0 0 391.518 4.334 50 30 GIEARN CCCCCCCOC(=O)C1=C(C)N=C2N=CNN2[C@@H]1c1ccccc1Cl ZINC000059513636 520059972 /nfs/dbraw/zinc/05/99/72/520059972.db2.gz UMNHMQWISXBKJB-GOSISDBHSA-N 0 0 388.899 4.387 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000100562974 520205792 /nfs/dbraw/zinc/20/57/92/520205792.db2.gz WKCXLGWPYOLQHG-NRFANRHFSA-N 0 0 396.531 4.310 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(C)n2)C1=O ZINC000036257742 520532990 /nfs/dbraw/zinc/53/29/90/520532990.db2.gz CWPWQPSFTUNBDV-LFIBNONCSA-N 0 0 384.432 4.073 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(C)n2)C1=O ZINC000036257956 520541198 /nfs/dbraw/zinc/54/11/98/520541198.db2.gz OUGSBQUDNGJGJP-LFIBNONCSA-N 0 0 384.432 4.073 50 30 GIEARN CCOc1cc(/C=C2\C(C)=NN(c3ccc(C)cc3)C2=O)ccc1OCC#N ZINC000013915491 520629952 /nfs/dbraw/zinc/62/99/52/520629952.db2.gz BXJFHWUSUZXVCU-CPNJWEJPSA-N 0 0 375.428 4.102 50 30 GIEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000017111981 520682397 /nfs/dbraw/zinc/68/23/97/520682397.db2.gz APUBYPWWKNETJK-NXWBBDIXSA-N 0 0 387.545 4.270 50 30 GIEARN CCOC(=O)COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182629 520805336 /nfs/dbraw/zinc/80/53/36/520805336.db2.gz ZMXCFAXBFSAFRX-JAIQZWGSSA-N 0 0 391.423 4.045 50 30 GIEARN CCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CCCC1=N2 ZINC000020091559 520978439 /nfs/dbraw/zinc/97/84/39/520978439.db2.gz RCFZYPWCGUWERQ-KRWDZBQOSA-N 0 0 399.476 4.101 50 30 GIEARN CCCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000004953053 521118206 /nfs/dbraw/zinc/11/82/06/521118206.db2.gz SHIASKFIZDLYCS-VZZUUUIUSA-N 0 0 385.489 4.313 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)cc1OC ZINC000004626472 521170258 /nfs/dbraw/zinc/17/02/58/521170258.db2.gz QBJKGTWUOZKBMD-MGPUTAFESA-N 0 0 389.492 4.205 50 30 GIEARN CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)S/C1=N\C1CCCCCC1 ZINC000017242754 521529305 /nfs/dbraw/zinc/52/93/05/521529305.db2.gz SWKCBMPQBRLMNF-GLEDVZQVSA-N 0 0 387.549 4.366 50 30 GIEARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785088 521693157 /nfs/dbraw/zinc/69/31/57/521693157.db2.gz FHZWVYZVDJZMJA-VQIMIIECSA-N 0 0 394.654 4.023 50 30 GIEARN CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000005130728 521738549 /nfs/dbraw/zinc/73/85/49/521738549.db2.gz KYUGTCOUMJNYGA-NTUHNPAUSA-N 0 0 395.499 4.404 50 30 GIEARN CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000013136008 521785936 /nfs/dbraw/zinc/78/59/36/521785936.db2.gz ROHGXJVVLVRSCT-ZUZCIYMTSA-N 0 0 387.530 4.287 50 30 GIEARN COc1cc(/C=C/C(=O)c2c(C)nn(-c3ccccc3)c2C)cc(OC)c1O ZINC000060203500 521936530 /nfs/dbraw/zinc/93/65/30/521936530.db2.gz RICBHRSQVINVSI-ZHACJKMWSA-N 0 0 378.428 4.108 50 30 GIEARN COc1cc(/C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1OC ZINC000096766856 521981253 /nfs/dbraw/zinc/98/12/53/521981253.db2.gz SKAOXACCZOQGQL-SREVYHEPSA-N 0 0 392.835 4.279 50 30 GIEARN COc1cc(/N=C/c2cccc(I)c2)cc(OC)c1OC ZINC000097960679 522012880 /nfs/dbraw/zinc/01/28/80/522012880.db2.gz NBWPOWFRUKWUAD-VCHYOVAHSA-N 0 0 397.212 4.068 50 30 GIEARN CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000102615915 522217369 /nfs/dbraw/zinc/21/73/69/522217369.db2.gz DOLYOMVQACXDAE-HOGKFDNTSA-N 0 0 398.462 4.379 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccsc1 ZINC000019925552 522883515 /nfs/dbraw/zinc/88/35/15/522883515.db2.gz VEIIRROROXNMAY-SCLBCKFNSA-N 0 0 385.510 4.344 50 30 GIEARN CC[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100567783 523129679 /nfs/dbraw/zinc/12/96/79/523129679.db2.gz XHWQPGMAHKBRBX-HDYAUDIQSA-N 0 0 384.392 4.135 50 30 GIEARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000003357296 523305665 /nfs/dbraw/zinc/30/56/65/523305665.db2.gz OQGVCIJIIQPCKJ-UHFFFAOYSA-N 0 0 376.243 4.118 50 30 GIEARN CCn1cc(/C=C2\Oc3c(ccc(OCC#N)c3C)C2=O)c2cc(OC)ccc21 ZINC000028182658 523307751 /nfs/dbraw/zinc/30/77/51/523307751.db2.gz FKNAYIJLMGWKHR-NHDPSOOVSA-N 0 0 388.423 4.497 50 30 GIEARN COc1ccc(/C(C)=N/OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000013757676 523364291 /nfs/dbraw/zinc/36/42/91/523364291.db2.gz XCGNSCVQZBPAQY-ZVHZXABRSA-N 0 0 397.500 4.277 50 30 GIEARN COc1ccc(CN=Nc2ccnc(SCc3ccccc3)n2)c(OC)c1 ZINC000004348598 523446891 /nfs/dbraw/zinc/44/68/91/523446891.db2.gz RSOGRNLUSSDDTD-LPYMAVHISA-N 0 0 380.473 4.232 50 30 GIEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2Br)cc1 ZINC000096766621 523543307 /nfs/dbraw/zinc/54/33/07/523543307.db2.gz RNDDPEKIFLRFOS-TWGQIWQCSA-N 0 0 377.234 4.371 50 30 GIEARN CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccccc2)c1C ZINC000032971790 523640550 /nfs/dbraw/zinc/64/05/50/523640550.db2.gz IHYFQZKETINGEY-UHFFFAOYSA-N 0 0 393.466 4.057 50 30 GIEARN CCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)[nH]c(C)c1C(C)=O ZINC000068454605 523700699 /nfs/dbraw/zinc/70/06/99/523700699.db2.gz JEXLNBIEEULRGN-OAHLLOKOSA-N 0 0 378.259 4.390 50 30 GIEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000100263736 523708101 /nfs/dbraw/zinc/70/81/01/523708101.db2.gz FULNHLGSXPDGAA-JOJWKMGHSA-N 0 0 391.855 4.069 50 30 GIEARN COCCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccccc1 ZINC000100280150 523785733 /nfs/dbraw/zinc/78/57/33/523785733.db2.gz FDTBXEWJEYBGOT-HATACVMWSA-N 0 0 388.876 4.296 50 30 GIEARN CN(C(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1(C#N)CCC1 ZINC000058416144 523936588 /nfs/dbraw/zinc/93/65/88/523936588.db2.gz QXDNTHMEUNZUNC-UHFFFAOYSA-N 0 0 386.249 4.155 50 30 GIEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2sccc2c(N)n1 ZINC000032841100 524034320 /nfs/dbraw/zinc/03/43/20/524034320.db2.gz RILJYSWKLPUJGY-YBEGLDIGSA-N 0 0 396.541 4.246 50 30 GIEARN COc1ccccc1-c1nc(NC(=O)Cn2ccc3c2cccc3Cl)n[nH]1 ZINC000095472885 524277987 /nfs/dbraw/zinc/27/79/87/524277987.db2.gz DDXZPQPOVJDQMJ-UHFFFAOYSA-N 0 0 381.823 4.377 50 30 GIEARN Cc1ccc(CC(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)cc1C ZINC000032957518 524278980 /nfs/dbraw/zinc/27/89/80/524278980.db2.gz FNIXKRIBBWNSLW-HMAPJEAMSA-N 0 0 377.484 4.270 50 30 GIEARN Cc1cccc(CN2CC(=O)C(c3nc(-c4ccc(F)c(F)c4)cs3)=C2N)c1 ZINC000034769823 524387657 /nfs/dbraw/zinc/38/76/57/524387657.db2.gz UBLLYEYWOUVCEG-UHFFFAOYSA-N 0 0 397.450 4.109 50 30 GIEARN Cc1ccc(C[C@@H]2SC(NN=Cc3ccc(Cl)cc3Cl)=NC2=O)cc1 ZINC000006502044 524667611 /nfs/dbraw/zinc/66/76/11/524667611.db2.gz WCRYGCBSLBKTHQ-CTJICSLTSA-N 0 0 392.311 4.466 50 30 GIEARN COc1ccccc1[C@H]1Nc2nonc2N=C2C[C@@H](c3cccs3)CC(=O)C21 ZINC000012391565 524818534 /nfs/dbraw/zinc/81/85/34/524818534.db2.gz MSIMCMOGZNEWQP-ADLMAVQZSA-N 0 0 394.456 4.119 50 30 GIEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccs2)no1 ZINC000013569933 525049828 /nfs/dbraw/zinc/04/98/28/525049828.db2.gz RAOCRJYLVJZKGN-QGZVFWFLSA-N 0 0 380.425 4.136 50 30 GIEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4C)CC3=Nc3ncnn32)cc1 ZINC000009329959 525396439 /nfs/dbraw/zinc/39/64/39/525396439.db2.gz QLPLQVODHUDVEW-AOMKIAJQSA-N 0 0 386.455 4.011 50 30 GIEARN Cc1c(C#N)c2ccccn2c1/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000096835587 525532230 /nfs/dbraw/zinc/53/22/30/525532230.db2.gz HIVGNFRRXXDOLU-LVWGJNHUSA-N 0 0 399.475 4.346 50 30 GIEARN Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000003861638 525580987 /nfs/dbraw/zinc/58/09/87/525580987.db2.gz GDXUEUWCUUAZFM-UHFFFAOYSA-N 0 0 378.497 4.115 50 30 GIEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCC(C)C)cc1 ZINC000032828792 525627397 /nfs/dbraw/zinc/62/73/97/525627397.db2.gz LNMOVYWFXXMOEA-IBGZPJMESA-N 0 0 394.500 4.045 50 30 GIEARN C[C@H](OC(=O)/C=C\c1ccccc1Cl)C(=O)N(CCC#N)c1ccccc1 ZINC000096462879 525878614 /nfs/dbraw/zinc/87/86/14/525878614.db2.gz IDLIAIYVSGWSLL-AHKFDXCISA-N 0 0 382.847 4.232 50 30 GIEARN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)C=C1NCCc2cc3c(cc21)OCO3 ZINC000005429235 525929370 /nfs/dbraw/zinc/92/93/70/525929370.db2.gz XFRZTBZDCUBMAG-HYTQYMIGSA-N 0 0 393.483 4.236 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102522805 525983265 /nfs/dbraw/zinc/98/32/65/525983265.db2.gz CWRWZHYADFSXEG-WOOAAIBNSA-N 0 0 390.464 4.073 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cccc(C)n2)cc1 ZINC000102491058 525983589 /nfs/dbraw/zinc/98/35/89/525983589.db2.gz OGAAYIRCBDPCBN-WOOAAIBNSA-N 0 0 390.464 4.386 50 30 GIEARN Cc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000018152143 526024949 /nfs/dbraw/zinc/02/49/49/526024949.db2.gz JYSTTYUZXWSDLJ-IERDGZPVSA-N 0 0 393.483 4.078 50 30 GIEARN Oc1ccccc1/C=N/c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1 ZINC000095471413 526369922 /nfs/dbraw/zinc/36/99/22/526369922.db2.gz MSFWMLHQGIQNQF-ZVBGSRNCSA-N 0 0 389.362 4.328 50 30 GIEARN N#CC1(C#N)[C@H](c2ccccc2Cl)N[C@H](c2ccccc2Cl)C1(C#N)C#N ZINC000013765192 526430542 /nfs/dbraw/zinc/43/05/42/526430542.db2.gz XIEYOUHIQAGYNM-HDICACEKSA-N 0 0 392.249 4.446 50 30 GIEARN N#CC1CCN(C(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000058086496 526440921 /nfs/dbraw/zinc/44/09/21/526440921.db2.gz IRMWTVXLDPTHJD-UHFFFAOYSA-N 0 0 376.485 4.231 50 30 GIEARN N#CCCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2cccc(Cl)c2)n1 ZINC000003356879 526468271 /nfs/dbraw/zinc/46/82/71/526468271.db2.gz KENPVMSRSLOICD-UHFFFAOYSA-N 0 0 395.806 4.278 50 30 GIEARN N#CCc1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000001079651 526483213 /nfs/dbraw/zinc/48/32/13/526483213.db2.gz ZMCPHZQOLLROPA-UHFFFAOYSA-N 0 0 375.291 4.387 50 30 GIEARN Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2 ZINC000033321222 526676183 /nfs/dbraw/zinc/67/61/83/526676183.db2.gz HBPBIMCDUIXEDG-SZNDQCEHSA-N 0 0 388.423 4.352 50 30 GIEARN O=C1/C(=N\c2cccc(F)c2)c2ccccc2N1CN1CCc2ccccc2C1 ZINC000020058295 526950136 /nfs/dbraw/zinc/95/01/36/526950136.db2.gz MCMUOAIJBPDEJI-RWEWTDSWSA-N 0 0 385.442 4.309 50 30 GIEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000102802602 526955513 /nfs/dbraw/zinc/95/55/13/526955513.db2.gz XUYAADNIPQGMBJ-MRJHHRETSA-N 0 0 387.410 4.448 50 30 GIEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000102932480 526955901 /nfs/dbraw/zinc/95/59/01/526955901.db2.gz PCIXHNDIUUIKHG-LFVOPCPISA-N 0 0 377.371 4.041 50 30 GIEARN Clc1ccccc1CN1CCN(/N=C/c2ccc(Br)cc2)CC1 ZINC000019790564 526986635 /nfs/dbraw/zinc/98/66/35/526986635.db2.gz HPMTZLYMZFAYAE-FYJGNVAPSA-N 0 0 392.728 4.254 50 30 GIEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc(F)c1 ZINC000013748502 527040849 /nfs/dbraw/zinc/04/08/49/527040849.db2.gz JZHFDHNKGIQKCX-ZROIWOOFSA-N 0 0 377.238 4.480 50 30 GIEARN O=C1N/C(=N/N=C/c2ccc(-c3ccccc3)o2)S[C@@H]1Cc1ccc(F)cc1 ZINC000009332249 527040981 /nfs/dbraw/zinc/04/09/81/527040981.db2.gz SJMJQFXXZZWERM-QNDYCBLQSA-N 0 0 393.443 4.250 50 30 GIEARN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000035647752 527041585 /nfs/dbraw/zinc/04/15/85/527041585.db2.gz DNZKYQXOFJVXKF-VGOFMYFVSA-N 0 0 377.784 4.279 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccncc1)CN(CCCc1ccccc1)CO3 ZINC000013692898 527125960 /nfs/dbraw/zinc/12/59/60/527125960.db2.gz OLCCUGVYALNOTI-HAHDFKILSA-N 0 0 398.462 4.483 50 30 GIEARN Cn1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000118921941 527144500 /nfs/dbraw/zinc/14/45/00/527144500.db2.gz CSBUEGHWYWGGEI-CLTBKRHKSA-N 0 0 380.532 4.306 50 30 GIEARN O=S(=O)(Oc1ccc(/N=C/c2ccc3c(c2)OCO3)cc1)c1ccc(F)cc1 ZINC000100413200 527263007 /nfs/dbraw/zinc/26/30/07/527263007.db2.gz IGGCVADTJVBJRR-WSDLNYQXSA-N 0 0 399.399 4.073 50 30 GIEARN C=CCn1c(SCc2nnc(SC)s2)nnc1-c1ccccc1OC ZINC000048309583 527344246 /nfs/dbraw/zinc/34/42/46/527344246.db2.gz AWZFUZFGAWMPKH-UHFFFAOYSA-N 0 0 391.547 4.005 50 30 GIEARN O=[N+]([O-])c1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 ZINC000005490364 527345873 /nfs/dbraw/zinc/34/58/73/527345873.db2.gz RSFSFEAIWWCIBX-FYJGNVAPSA-N 0 0 386.371 4.153 50 30 GIEARN O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2/C=N/C[C@H]2CCCO2)c1 ZINC000027024083 527382701 /nfs/dbraw/zinc/38/27/01/527382701.db2.gz QAIAJTFRDBBBCB-CCULFSDZSA-N 0 0 376.416 4.045 50 30 GIEARN O=c1[nH]c(NN=Cc2ccncc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000013570814 527439678 /nfs/dbraw/zinc/43/96/78/527439678.db2.gz NHMLELRPKXQRBB-MFKUBSTISA-N 0 0 385.471 4.036 50 30 GIEARN O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)c1ccc(N2CCOCC2)cc1 ZINC000058133212 527593647 /nfs/dbraw/zinc/59/36/47/527593647.db2.gz XHJMRYTWYKFWLJ-LREOWRDNSA-N 0 0 381.859 4.392 50 30 GIEARN CCCCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000053307383 528126392 /nfs/dbraw/zinc/12/63/92/528126392.db2.gz NSUWZZIRNNABPA-HNNXBMFYSA-N 0 0 394.585 4.455 50 30 GIEARN CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(OC)cc1 ZINC000096936312 528943632 /nfs/dbraw/zinc/94/36/32/528943632.db2.gz GTZQBVNSDHVHSG-HVEIJDALSA-N 0 0 382.441 4.048 50 30 GIEARN CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2cc(Cl)ccc2Cl)C1=O ZINC000014806912 560226379 /nfs/dbraw/zinc/22/63/79/560226379.db2.gz OPQRFPHLZZPCCH-PGMHBOJBSA-N 0 0 397.645 4.461 50 30 in-vitro GIEARN Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046127478 570210552 /nfs/dbraw/zinc/21/05/52/570210552.db2.gz BSXPXQOHHAUQGY-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(Cl)c2C)cc1 ZINC000046129966 570211393 /nfs/dbraw/zinc/21/13/93/570211393.db2.gz CNJZSVWSWQNJGF-QGZVFWFLSA-N 0 0 385.895 4.334 50 30 GIEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)ccc2C)cc1 ZINC000046130169 570211415 /nfs/dbraw/zinc/21/14/15/570211415.db2.gz LJMRNNSBDBFICO-FQEVSTJZSA-N 0 0 379.504 4.243 50 30 GIEARN COc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C(C)C)cc2)c1 ZINC000046130667 570211682 /nfs/dbraw/zinc/21/16/82/570211682.db2.gz HAUFTZPIMGCCSU-NRFANRHFSA-N 0 0 395.503 4.196 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(C)cc(C)c2)cc1 ZINC000046131579 570211907 /nfs/dbraw/zinc/21/19/07/570211907.db2.gz BFGXHWMIWFZBAY-OAQYLSRUSA-N 0 0 395.503 4.079 50 30 GIEARN Cc1ccc(CN2CCN(/N=C/c3cc(Br)ccc3F)CC2)cc1 ZINC000019834188 570223523 /nfs/dbraw/zinc/22/35/23/570223523.db2.gz KIQPMMWFSVTJNX-LPYMAVHISA-N 0 0 390.300 4.048 50 30 GIEARN C=CCOc1cccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000012196231 570235962 /nfs/dbraw/zinc/23/59/62/570235962.db2.gz AFEKHZAZRMWXRN-HXUWFJFHSA-N 0 0 382.479 4.127 50 30 GIEARN C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1cccc(C)c1 ZINC000012191730 570236032 /nfs/dbraw/zinc/23/60/32/570236032.db2.gz ZNEBLDULNILWKT-UHFFFAOYSA-N 0 0 384.530 4.056 50 30 GIEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O ZINC000012342683 570236749 /nfs/dbraw/zinc/23/67/49/570236749.db2.gz DLPNNFCUBFGKEH-OQLLNIDSSA-N 0 0 388.788 4.178 50 30 GIEARN CC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000006250928 570236924 /nfs/dbraw/zinc/23/69/24/570236924.db2.gz QRQFQWXERYEBSS-UHFFFAOYSA-N 0 0 392.480 4.445 50 30 GIEARN C=CCn1c(CN(C)C/C(C)=C/c2ccccc2)nnc1SC[C@H]1CCCO1 ZINC000012331248 570237062 /nfs/dbraw/zinc/23/70/62/570237062.db2.gz FEQAGQKCTNPSME-WORNYLJVSA-N 0 0 398.576 4.271 50 30 GIEARN C=CCn1c(CNC(=O)CC2CCCC2)nnc1SCc1cccc(C)c1 ZINC000012454625 570237649 /nfs/dbraw/zinc/23/76/49/570237649.db2.gz KKZKTMAOACUNAM-UHFFFAOYSA-N 0 0 384.549 4.261 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1C1CCCCC1 ZINC000006083216 570238713 /nfs/dbraw/zinc/23/87/13/570238713.db2.gz LVSRYXOPMNCALA-UHFFFAOYSA-N 0 0 385.489 4.216 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)COc3ccccc3C)c2)c1 ZINC000013017983 570240436 /nfs/dbraw/zinc/24/04/36/570240436.db2.gz ZLMPOZSLRQNODQ-UHFFFAOYSA-N 0 0 399.446 4.199 50 30 GIEARN Cc1ccc(C)c2sc(OC3CCN(C(=O)c4cccc(C#N)c4)CC3)nc21 ZINC000049435389 570268154 /nfs/dbraw/zinc/26/81/54/570268154.db2.gz VIHZXDQJXHNOLV-UHFFFAOYSA-N 0 0 391.496 4.468 50 30 GIEARN CCCCCCCCCCCCN1c2ccccc2/C(=N/NC(N)=S)C1=O ZINC000101131875 570281121 /nfs/dbraw/zinc/28/11/21/570281121.db2.gz HBSKSNSLXZZTJM-NMWGTECJSA-N 0 0 388.581 4.491 50 30 GIEARN CCOc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002346091 570283538 /nfs/dbraw/zinc/28/35/38/570283538.db2.gz YEDGYOGFHHBBCQ-UHFFFAOYSA-N 0 0 397.525 4.340 50 30 GIEARN COc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2NCc2ccccc2)cc1 ZINC000002675013 570294905 /nfs/dbraw/zinc/29/49/05/570294905.db2.gz PGBSVEYXCGYATR-PCLIKHOPSA-N 0 0 398.466 4.374 50 30 GIEARN CC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002736865 570297031 /nfs/dbraw/zinc/29/70/31/570297031.db2.gz SUHJYZOQCNBSGH-UHFFFAOYSA-N 0 0 381.194 4.296 50 30 GIEARN C#Cc1cccc(NC(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c1 ZINC000023010255 570297700 /nfs/dbraw/zinc/29/77/00/570297700.db2.gz GHFWVRQBXXHDDR-UHFFFAOYSA-N 0 0 381.435 4.455 50 30 GIEARN CCCOc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc1OCC ZINC000002885173 570316307 /nfs/dbraw/zinc/31/63/07/570316307.db2.gz SVMPVVQBSJFGLK-JOCHJYFZSA-N 0 0 394.471 4.228 50 30 GIEARN O=C(O/N=C/c1ccc(Br)cc1)c1ccccc1Br ZINC000002913549 570318196 /nfs/dbraw/zinc/31/81/96/570318196.db2.gz FDNROBLMBHCMPX-RQZCQDPDSA-N 0 0 383.039 4.403 50 30 GIEARN N#Cc1ccnc(O[C@H]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000575613352 570338475 /nfs/dbraw/zinc/33/84/75/570338475.db2.gz PVWUBOJDSAGOTL-INIZCTEOSA-N 0 0 390.365 4.047 50 30 GIEARN C=CCOc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc1 ZINC000003057402 570357489 /nfs/dbraw/zinc/35/74/89/570357489.db2.gz DEICTKVXWGGUCO-GOSISDBHSA-N 0 0 378.457 4.328 50 30 GIEARN Cc1cc(-c2ccccc2)nc(N=NCc2cc(Br)ccc2O)n1 ZINC000004154775 570360242 /nfs/dbraw/zinc/36/02/42/570360242.db2.gz JAQRNNBDJXBHIS-RGVLZGJSSA-N 0 0 383.249 4.366 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccc(F)cc1 ZINC000004919810 570366001 /nfs/dbraw/zinc/36/60/01/570366001.db2.gz OFZVLNOPNSRDNE-AVRDEDQJSA-N 0 0 398.430 4.162 50 30 GIEARN COc1cccc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c1O ZINC000004380645 570372185 /nfs/dbraw/zinc/37/21/85/570372185.db2.gz KLBJEKKAGCSPGQ-MUDSWDHVSA-N 0 0 382.235 4.422 50 30 GIEARN CC(C)C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000004614554 570387700 /nfs/dbraw/zinc/38/77/00/570387700.db2.gz CKIVCXHYXRCMMA-HTXNQAPBSA-N 0 0 395.322 4.178 50 30 GIEARN C=CCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 ZINC000002849916 570391030 /nfs/dbraw/zinc/39/10/30/570391030.db2.gz MOHAEGISAMONET-ATVHPVEESA-N 0 0 384.229 4.358 50 30 GIEARN C=CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OCC ZINC000002820828 570391328 /nfs/dbraw/zinc/39/13/28/570391328.db2.gz GHXYUIAENCSJKG-JXAWBTAJSA-N 0 0 394.496 4.255 50 30 GIEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12 ZINC000004814180 570407653 /nfs/dbraw/zinc/40/76/53/570407653.db2.gz DNBITBJQVUBNAE-RNODOKPDSA-N 0 0 394.837 4.486 50 30 GIEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000241170986 570431569 /nfs/dbraw/zinc/43/15/69/570431569.db2.gz KDHPHUQYGIQPGP-WCXIOVBPSA-N 0 0 384.549 4.371 50 30 GIEARN Oc1ccc2ccccc2c1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000243893394 570432679 /nfs/dbraw/zinc/43/26/79/570432679.db2.gz AQTNIGVZOOKFSI-UHFFFAOYSA-N 0 0 379.891 4.351 50 30 GIEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)c1ccc([N+](=O)[O-])cc1 ZINC000001899649 570439518 /nfs/dbraw/zinc/43/95/18/570439518.db2.gz IJPCXPPNHSBOEG-WQRHYEAKSA-N 0 0 393.376 4.492 50 30 GIEARN O=C(NCc1ccccc1)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1 ZINC000226758226 570461536 /nfs/dbraw/zinc/46/15/36/570461536.db2.gz XRQNPWNQIYWRRE-YYADALCUSA-N 0 0 382.419 4.376 50 30 GIEARN C#Cc1cccc(NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000072280750 570464610 /nfs/dbraw/zinc/46/46/10/570464610.db2.gz AIXNKIITJVXFFQ-IBGZPJMESA-N 0 0 385.870 4.419 50 30 GIEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(F)cc1 ZINC000006139942 570468991 /nfs/dbraw/zinc/46/89/91/570468991.db2.gz LKYVJEVECAONJA-GOSISDBHSA-N 0 0 375.403 4.282 50 30 GIEARN C#CCN(C(=O)N[C@H](COC)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000072288039 570478480 /nfs/dbraw/zinc/47/84/80/570478480.db2.gz STZLQQDFNUZHIH-GOSISDBHSA-N 0 0 382.426 4.370 50 30 GIEARN Cc1cc(Br)cc(Cl)c1OCC(=O)NC1(C#N)CCCCC1 ZINC000005168681 570490590 /nfs/dbraw/zinc/49/05/90/570490590.db2.gz RSKNLNCVLKHZIF-UHFFFAOYSA-N 0 0 385.689 4.132 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000006813027 570494936 /nfs/dbraw/zinc/49/49/36/570494936.db2.gz YYZOCYRUQQXVNF-LJQANCHMSA-N 0 0 399.874 4.263 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000006819701 570495375 /nfs/dbraw/zinc/49/53/75/570495375.db2.gz UENDKUZODGGNTQ-QAPCUYQASA-N 0 0 381.859 4.353 50 30 GIEARN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C#N)cc3)C(=O)[C@@H]12 ZINC000005186409 570495436 /nfs/dbraw/zinc/49/54/36/570495436.db2.gz JRVRNBYUKIAXTL-QQNJPBSNSA-N 0 0 390.442 4.129 50 30 GIEARN Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc21 ZINC000005182726 570496553 /nfs/dbraw/zinc/49/65/53/570496553.db2.gz PWVLDNUOROKBKJ-UHFFFAOYSA-N 0 0 396.903 4.092 50 30 GIEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1 ZINC000005092827 570499412 /nfs/dbraw/zinc/49/94/12/570499412.db2.gz CBPHZHOUXJCTTH-HXUWFJFHSA-N 0 0 379.485 4.058 50 30 GIEARN Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Br)cc1 ZINC000005450575 570500127 /nfs/dbraw/zinc/50/01/27/570500127.db2.gz TVXTUTILGVWIOH-GIJQJNRQSA-N 0 0 377.242 4.391 50 30 GIEARN C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC=C)cc1 ZINC000002705533 570505910 /nfs/dbraw/zinc/50/59/10/570505910.db2.gz SPCYXEXHAGYYJS-SFHVURJKSA-N 0 0 381.453 4.077 50 30 GIEARN CCC[C@@](C)(CCCNC(=O)Nc1cc(C#N)cn1C(C)(C)C)C1OCCO1 ZINC000072306240 570524046 /nfs/dbraw/zinc/52/40/46/570524046.db2.gz YZTIVIOARAIEBQ-NRFANRHFSA-N 0 0 390.528 4.196 50 30 GIEARN CCOc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Cl)cc1Cl ZINC000005236883 570524349 /nfs/dbraw/zinc/52/43/49/570524349.db2.gz CRVLHDLFRMVADA-ZVBGSRNCSA-N 0 0 398.315 4.138 50 30 GIEARN Cc1ccc(C)c(Cn2cccc(C(=O)Nc3cc(Cl)ccc3C#N)c2=O)c1 ZINC000005270027 570545823 /nfs/dbraw/zinc/54/58/23/570545823.db2.gz IGDYIOUTIFKTKP-UHFFFAOYSA-N 0 0 391.858 4.291 50 30 GIEARN CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)NC2CCCCC2)CC1 ZINC000022785093 570546998 /nfs/dbraw/zinc/54/69/98/570546998.db2.gz FHZWVYZVDJZMJA-APWZRJJASA-N 0 0 394.654 4.023 50 30 GIEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000005270839 570547055 /nfs/dbraw/zinc/54/70/55/570547055.db2.gz KXEQUAXZSIGHRO-UHFFFAOYSA-N 0 0 398.249 4.327 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1F ZINC000225512478 570582229 /nfs/dbraw/zinc/58/22/29/570582229.db2.gz BOFLBYDMPZMDEL-SIKLNZKXSA-N 0 0 398.430 4.162 50 30 GIEARN N#Cc1ccc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033011293 570623973 /nfs/dbraw/zinc/62/39/73/570623973.db2.gz MQJLHTWVLDNFRQ-UHFFFAOYSA-N 0 0 390.424 4.259 50 30 GIEARN C/C(=N/OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000012342940 570645118 /nfs/dbraw/zinc/64/51/18/570645118.db2.gz MAHYCIPBXAOGGT-GRSHGNNSSA-N 0 0 383.187 4.248 50 30 GIEARN N#Cc1cccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)c1 ZINC000004601959 570654804 /nfs/dbraw/zinc/65/48/04/570654804.db2.gz XDVAEYBPFUZZTB-UHFFFAOYSA-N 0 0 399.450 4.171 50 30 GIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000005782830 570671712 /nfs/dbraw/zinc/67/17/12/570671712.db2.gz MMBFOJRWINBMRK-LLVKDONJSA-N 0 0 388.876 4.193 50 30 GIEARN CCOC(=O)C=C1CSC(=Nc2ccccc2OC)N(Cc2ccccc2)N1 ZINC000012504645 570674926 /nfs/dbraw/zinc/67/49/26/570674926.db2.gz XVGAFSFCYPYVMA-QURGRASLSA-N 0 0 397.500 4.241 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1cc(OC)cc(OC)c1 ZINC000241338540 570686533 /nfs/dbraw/zinc/68/65/33/570686533.db2.gz MBNFAKWBDNWBIJ-JTHBVZDNSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000241338537 570686548 /nfs/dbraw/zinc/68/65/48/570686548.db2.gz MBNFAKWBDNWBIJ-FYYLOGMGSA-N 0 0 394.467 4.332 50 30 GIEARN O=C1N/C(=N/N=C/c2ccc(Cl)cc2)S[C@@H]1Cc1cccc(Cl)c1 ZINC000012843721 570724062 /nfs/dbraw/zinc/72/40/62/570724062.db2.gz HHKKZZFMGBMEIT-IXJMWADBSA-N 0 0 378.284 4.158 50 30 GIEARN Cc1ccc(-n2c(N)c(C#N)c3nc4ccccc4nc32)c(Br)c1 ZINC000000948534 570735655 /nfs/dbraw/zinc/73/56/55/570735655.db2.gz LCJPXQDNNQTTOR-UHFFFAOYSA-N 0 0 378.233 4.099 50 30 GIEARN CCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000007078927 570782668 /nfs/dbraw/zinc/78/26/68/570782668.db2.gz VIJFMCYUTYPLAQ-UFFVCSGVSA-N 0 0 382.411 4.403 50 30 GIEARN N#CC(C#N)(Cc1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005673589 570798714 /nfs/dbraw/zinc/79/87/14/570798714.db2.gz KMIYRISCSSFIIB-UHFFFAOYSA-N 0 0 380.713 4.190 50 30 GIEARN O=[N+]([O-])c1ccccc1/C=N/[C@H]1CCCC[C@H]1/N=C\c1ccccc1[N+](=O)[O-] ZINC000018101404 570799659 /nfs/dbraw/zinc/79/96/59/570799659.db2.gz QKHJFYNPGVPCLF-JEYVERAZSA-N 0 0 380.404 4.352 50 30 GIEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 ZINC000005980766 570811542 /nfs/dbraw/zinc/81/15/42/570811542.db2.gz QODGUGBUGMJHMQ-UHFFFAOYSA-N 0 0 382.725 4.026 50 30 GIEARN CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000006003376 570813426 /nfs/dbraw/zinc/81/34/26/570813426.db2.gz QPMKYLJSIBKXAD-BDJLRTHQSA-N 0 0 399.491 4.364 50 30 GIEARN C=CCn1c(=O)c2cccnc2nc1SCc1cccc(C(F)(F)F)c1 ZINC000031615033 570818078 /nfs/dbraw/zinc/81/80/78/570818078.db2.gz SOZYSXPXYYGSAC-UHFFFAOYSA-N 0 0 377.391 4.289 50 30 GIEARN COc1ccc(-n2c(SCCCC#N)nc3ccccc3c2=O)cc1Cl ZINC000004513701 570827100 /nfs/dbraw/zinc/82/71/00/570827100.db2.gz SJLMDXCLKHTUOV-UHFFFAOYSA-N 0 0 385.876 4.444 50 30 GIEARN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O ZINC000004698868 570837152 /nfs/dbraw/zinc/83/71/52/570837152.db2.gz WPOGYKGNUZKIKY-NTUHNPAUSA-N 0 0 389.230 4.150 50 30 GIEARN O=C(c1cccc2c1-c1ccccc1C2=NNc1ccccc1)N1CCOCC1 ZINC000004545600 570856866 /nfs/dbraw/zinc/85/68/66/570856866.db2.gz ANOFAEALYXQUFR-WNAAXNPUSA-N 0 0 383.451 4.004 50 30 GIEARN N#Cc1cccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000004711126 570857406 /nfs/dbraw/zinc/85/74/06/570857406.db2.gz PZZAFDCTPKVYKN-INIZCTEOSA-N 0 0 391.406 4.159 50 30 GIEARN C=CCN(C(=O)COc1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 ZINC000003558698 570874846 /nfs/dbraw/zinc/87/48/46/570874846.db2.gz QHXASEALRBAQSS-UHFFFAOYSA-N 0 0 380.469 4.417 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OCC ZINC000170618240 570875533 /nfs/dbraw/zinc/87/55/33/570875533.db2.gz AQUFDPXLXONMLA-XXBNENTESA-N 0 0 394.467 4.413 50 30 GIEARN N#Cc1nc(-c2cccc3ccccc32)oc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000170623864 570881735 /nfs/dbraw/zinc/88/17/35/570881735.db2.gz JEHVAUOHJYMKHI-UHFFFAOYSA-N 0 0 392.411 4.479 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)OC1=C(CC(C)(C)CC1=O)[C@@]21c2ccccc2NC1=O ZINC000004575761 570896957 /nfs/dbraw/zinc/89/69/57/570896957.db2.gz WWAMESOYMADZGB-DEOSSOPVSA-N 0 0 391.467 4.193 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C)cc2)cc1 ZINC000104184818 570897024 /nfs/dbraw/zinc/89/70/24/570897024.db2.gz PQDLUCSZMQMSBV-SELCWUDQSA-N 0 0 390.464 4.386 50 30 GIEARN Cc1ccc(NC=C(C(=O)c2ccccc2)c2nnnn2-c2ccccc2)cc1 ZINC000105482143 570926897 /nfs/dbraw/zinc/92/68/97/570926897.db2.gz GIDDTDQNDAIAQJ-PGMHBOJBSA-N 0 0 381.439 4.307 50 30 GIEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCC ZINC000004062253 570927728 /nfs/dbraw/zinc/92/77/28/570927728.db2.gz RXFOZMBQUDUXIP-NRFANRHFSA-N 0 0 383.488 4.397 50 30 GIEARN O=S(=O)(c1ccc(N=Cc2ccc(Br)s2)cc1)N1CCCC1 ZINC000252462291 570960805 /nfs/dbraw/zinc/96/08/05/570960805.db2.gz RGNDTPLNKQDSRG-UHFFFAOYSA-N 0 0 399.335 4.046 50 30 GIEARN C=CCc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cc(OC)c1OC ZINC000083921324 570979926 /nfs/dbraw/zinc/97/99/26/570979926.db2.gz INIXDEZQJFJJMJ-LEWJYISDSA-N 0 0 395.499 4.161 50 30 GIEARN COc1cc(NC=CC(=O)c2ccc(Br)cc2)cc(OC)c1OC ZINC000044843395 570980318 /nfs/dbraw/zinc/98/03/18/570980318.db2.gz BUSHLMHIZWFSTN-CMDGGOBGSA-N 0 0 392.249 4.283 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 ZINC000002201155 570999502 /nfs/dbraw/zinc/99/95/02/570999502.db2.gz MAJHJPAVDGPNSF-MAUKXSAKSA-N 0 0 389.245 4.361 50 30 GIEARN N#Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)c1 ZINC000045916861 571000416 /nfs/dbraw/zinc/00/04/16/571000416.db2.gz CMRYBNLTNFXVKZ-UHFFFAOYSA-N 0 0 384.464 4.004 50 30 GIEARN CCOc1ccc2cc(C=Nn3c(C)nc4ccccc4c3=O)c(Cl)nc2c1 ZINC000252610052 571009464 /nfs/dbraw/zinc/00/94/64/571009464.db2.gz HYMLXZLNQXUSBZ-UHFFFAOYSA-N 0 0 392.846 4.187 50 30 GIEARN N#Cc1cccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1 ZINC000007737900 571029779 /nfs/dbraw/zinc/02/97/79/571029779.db2.gz RUILIAUXHILZNU-QFIPXVFZSA-N 0 0 376.843 4.496 50 30 GIEARN CCOC(=O)c1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000252624356 571037844 /nfs/dbraw/zinc/03/78/44/571037844.db2.gz PMDZBKSWLBFVHP-NLUKZUHQSA-N 0 0 397.500 4.052 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc(-c2ccco2)nc2ccccc21 ZINC000012784622 571037945 /nfs/dbraw/zinc/03/79/45/571037945.db2.gz ITLQPAWLLQVTEK-SPLOXXLWSA-N 0 0 394.500 4.425 50 30 GIEARN C=C(C)CN(CC)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000011460404 571046970 /nfs/dbraw/zinc/04/69/70/571046970.db2.gz ZJZCCBVFPZUAHE-UHFFFAOYSA-N 0 0 394.496 4.291 50 30 GIEARN Clc1ccc(CN2CCN(N=Cc3cccc(Br)c3)CC2)cc1 ZINC000002231409 817380387 /nfs/dbraw/zinc/38/03/87/817380387.db2.gz XRGFCAYXCJGNQJ-UHFFFAOYSA-N 0 0 392.728 4.254 50 30 GIEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002302732 817383514 /nfs/dbraw/zinc/38/35/14/817383514.db2.gz VCWJXPYNKVMMLP-GOSISDBHSA-N 0 0 393.535 4.314 50 30 GIEARN CCOC(=O)[C@](O)(c1ccc(/N=C/c2ccc(OC)cc2)c(C)c1)C(F)(F)F ZINC000002306194 817383535 /nfs/dbraw/zinc/38/35/35/817383535.db2.gz TXAJHURMADEUOZ-QVHMZZSFSA-N 0 0 395.377 4.067 50 30 GIEARN CCN(CC)C(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000002733663 817398943 /nfs/dbraw/zinc/39/89/43/817398943.db2.gz QQAJADBLXRANEE-UHFFFAOYSA-N 0 0 389.908 4.245 50 30 GIEARN N#Cc1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1 ZINC000002806616 817402570 /nfs/dbraw/zinc/40/25/70/817402570.db2.gz JXUTWIMLFQZSMN-UHFFFAOYSA-N 0 0 377.407 4.395 50 30 GIEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(-c3ccccc3)o1)CCCC2 ZINC000002842122 817403294 /nfs/dbraw/zinc/40/32/94/817403294.db2.gz BRSHWCMRRGNNPU-UHFFFAOYSA-N 0 0 396.497 4.279 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000003098416 817417669 /nfs/dbraw/zinc/41/76/69/817417669.db2.gz FXIZYJIFTRWBJD-NRFANRHFSA-N 0 0 395.499 4.482 50 30 GIEARN CCCN1CC(=O)C(c2nc(-c3ccccc3)c(-c3ccccc3)s2)=C1N ZINC000003225664 817424044 /nfs/dbraw/zinc/42/40/44/817424044.db2.gz JVOFYRDYPDOWOU-UHFFFAOYSA-N 0 0 375.497 4.399 50 30 GIEARN N#Cc1cccc(C(=O)OCc2cccc(COC(=O)c3cccc(C#N)c3)c2)c1 ZINC000003324773 817436851 /nfs/dbraw/zinc/43/68/51/817436851.db2.gz GVVOCMXJVFEQNG-UHFFFAOYSA-N 0 0 396.402 4.144 50 30 GIEARN N#Cc1ccccc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 ZINC000003385497 817445877 /nfs/dbraw/zinc/44/58/77/817445877.db2.gz ACOUKQORMZBFSY-LFIBNONCSA-N 0 0 394.477 4.404 50 30 GIEARN C[C@H]1CSC(N(C(=O)COc2ccccc2C#N)c2ccc(Cl)cc2)=N1 ZINC000003405503 817449954 /nfs/dbraw/zinc/44/99/54/817449954.db2.gz ZRNMIJCUNFHJQT-ZDUSSCGKSA-N 0 0 385.876 4.115 50 30 GIEARN CO/N=C/c1c(-c2ccccc2)nn(C)c1Sc1ccccc1C(=O)OC ZINC000004042042 817498843 /nfs/dbraw/zinc/49/88/43/817498843.db2.gz KZDMISARAQUVKK-FYJGNVAPSA-N 0 0 381.457 4.005 50 30 GIEARN Cc1cc(SCC(=O)N2CCC[C@H](C)C2)n2c3ccccc3nc2c1C#N ZINC000004270121 817514854 /nfs/dbraw/zinc/51/48/54/817514854.db2.gz NWOWGLXKUSVBNJ-AWEZNQCLSA-N 0 0 378.501 4.018 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000004312032 817519590 /nfs/dbraw/zinc/51/95/90/817519590.db2.gz NLKSBDASVHXQHQ-NRFANRHFSA-N 0 0 385.419 4.484 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000012527599 818165944 /nfs/dbraw/zinc/16/59/44/818165944.db2.gz QGWOIYKKFBWJQR-NFECSFHCSA-N 0 0 382.533 4.134 50 30 GIEARN CN(C)c1ccc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000012599987 818170016 /nfs/dbraw/zinc/17/00/16/818170016.db2.gz VLQWHJQIOUMTNJ-UHFFFAOYSA-N 0 0 379.485 4.000 50 30 GIEARN O=C(/C=C/c1ccc(OCc2cscn2)cc1)c1ccc2c(c1)OCCO2 ZINC000012782004 818181904 /nfs/dbraw/zinc/18/19/04/818181904.db2.gz SEGLAEUGQSIGHM-XVNBXDOJSA-N 0 0 379.437 4.389 50 30 GIEARN COC(=O)c1sc(NC(=O)COc2c(C)cc(C)cc2Cl)c(C#N)c1C ZINC000020100702 818614109 /nfs/dbraw/zinc/61/41/09/818614109.db2.gz FYGNWOWIIOZJTC-UHFFFAOYSA-N 0 0 392.864 4.003 50 30 GIEARN COc1cc([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2C#N)ccc1OCC(C)C ZINC000040087548 821134189 /nfs/dbraw/zinc/13/41/89/821134189.db2.gz ASXKFYDVEYCZIK-DLBZAZTESA-N 0 0 396.487 4.246 50 30 GIEARN N#Cc1ccc(Cc2cnc(NC(=O)c3ccccn3)s2)c(C(F)(F)F)c1 ZINC000040110785 821139443 /nfs/dbraw/zinc/13/94/43/821139443.db2.gz QGLUKWHZFHIEDP-UHFFFAOYSA-N 0 0 388.374 4.272 50 30 GIEARN CN(CCCn1ccnc1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000124438847 823596862 /nfs/dbraw/zinc/59/68/62/823596862.db2.gz CKJMNRCOFZQSDS-UHFFFAOYSA-N 0 0 375.432 4.101 50 30 GIEARN Cc1ccc(-c2ccc(C=NNc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl ZINC000004520429 230834986 /nfs/dbraw/zinc/83/49/86/230834986.db2.gz 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GIEARN CCc1cc(C)cc(OCCn2cc(/C=N/NC(=S)NC)c3ccccc32)c1 ZINC000004599995 523786419 /nfs/dbraw/zinc/78/64/19/523786419.db2.gz QWZBSLPDEBLUGW-ZVHZXABRSA-N 0 0 394.544 4.019 50 30 GIEARN CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCCC2)c2cccs2)cc1 ZINC000029939456 524033176 /nfs/dbraw/zinc/03/31/76/524033176.db2.gz ZSNQPQCGHNBTOG-OAQYLSRUSA-N 0 0 381.545 4.332 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102881981 524033481 /nfs/dbraw/zinc/03/34/81/524033481.db2.gz VBBQDNCIVZHOIP-LFVOPCPISA-N 0 0 392.411 4.073 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2ncnc3sccc32)c1 ZINC000006115354 524409565 /nfs/dbraw/zinc/40/95/65/524409565.db2.gz CMXFLNVPNXXCPI-UHFFFAOYSA-N 0 0 382.514 4.347 50 30 GIEARN COc1ccccc1CNC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000100292272 524445526 /nfs/dbraw/zinc/44/55/26/524445526.db2.gz GZLZLNQBCKFSLM-UKTHLTGXSA-N 0 0 393.668 4.351 50 30 GIEARN Cc1cc(C)n(-c2nc(N=NCc3ccccc3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000004457713 524498491 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379.437 4.271 50 30 GIEARN Cc1ccc(/N=C2\NC(=O)C[C@@H](C(=O)Nc3cccc4ccccc43)S2)cc1 ZINC000016945337 525970263 /nfs/dbraw/zinc/97/02/63/525970263.db2.gz AEKJRCSYXSJEIB-IBGZPJMESA-N 0 0 389.480 4.396 50 30 GIEARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000036023278 526009070 /nfs/dbraw/zinc/00/90/70/526009070.db2.gz LMVGBEZTGLFGQT-FDIDITGRSA-N 0 0 394.500 4.426 50 30 GIEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000002214191 526415523 /nfs/dbraw/zinc/41/55/23/526415523.db2.gz FYNSTPNEIKJZDQ-UHFFFAOYSA-N 0 0 384.844 4.343 50 30 GIEARN N#CCCN1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000019891924 526458906 /nfs/dbraw/zinc/45/89/06/526458906.db2.gz BCEZYKQVRQNKSZ-UHFFFAOYSA-N 0 0 394.327 4.460 50 30 GIEARN N#C[C@@H](C(=O)Nc1sc2ccccc2c1Cl)c1nnc2n1CCCCC2 ZINC000095455106 526491358 /nfs/dbraw/zinc/49/13/58/526491358.db2.gz ZZPFLFOALGXKGW-GFCCVEGCSA-N 0 0 385.880 4.118 50 30 GIEARN Cc1nc(-c2ccc(OCC(=O)/C=C3/N(C)c4ccccc4C3(C)C)cc2)no1 ZINC000096401536 526578955 /nfs/dbraw/zinc/57/89/55/526578955.db2.gz LLGNRFBJAFCCPR-FYJGNVAPSA-N 0 0 389.455 4.304 50 30 GIEARN C=CCOc1ccc(CN2CCC[C@H]2c2nc3ccccc3n2C)cc1OC ZINC000097032707 526867618 /nfs/dbraw/zinc/86/76/18/526867618.db2.gz IANSMGVONFBPRK-FQEVSTJZSA-N 0 0 377.488 4.484 50 30 GIEARN O=C1/C(=C\c2ccc3c(c2)OCCO3)CC/C1=C/c1ccc2c(c1)OCCO2 ZINC000033472315 526946563 /nfs/dbraw/zinc/94/65/63/526946563.db2.gz YYGSOXVSMUGKRO-WHYMJUELSA-N 0 0 376.408 4.059 50 30 GIEARN O=C1C[C@@H](c2ccccc2O)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000009348815 527024465 /nfs/dbraw/zinc/02/44/65/527024465.db2.gz INYSTSIHESUIHZ-RNODOKPDSA-N 0 0 392.846 4.053 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000009331924 527031714 /nfs/dbraw/zinc/03/17/14/527031714.db2.gz ZRIJEZJWHILNFX-JLTOFOAXSA-N 0 0 394.837 4.486 50 30 GIEARN Cn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cn1 ZINC000118934154 527144345 /nfs/dbraw/zinc/14/43/45/527144345.db2.gz AKMGOLMVBIBATQ-KWYJWUOISA-N 0 0 382.548 4.386 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCOC)c1C ZINC000009073778 527297151 /nfs/dbraw/zinc/29/71/51/527297151.db2.gz ZFZCPHKTKIOTQQ-UHFFFAOYSA-N 0 0 383.517 4.262 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000008853018 527304503 /nfs/dbraw/zinc/30/45/03/527304503.db2.gz KJKDFVKWWLLPSE-IBGZPJMESA-N 0 0 394.500 4.253 50 30 GIEARN Cn1ccc(C(=O)/C=C\c2ccc(COc3cccc(Br)c3)o2)n1 ZINC000006828256 527338554 /nfs/dbraw/zinc/33/85/54/527338554.db2.gz JZAQYTPXVXLSIW-FPLPWBNLSA-N 0 0 387.233 4.251 50 30 GIEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc1 ZINC000004663141 527360051 /nfs/dbraw/zinc/36/00/51/527360051.db2.gz OWJPFJAUVVFLFX-DJKKODMXSA-N 0 0 387.739 4.257 50 30 GIEARN O=c1c(/C=N/CCc2ccccc2)c(NCCc2ccccc2)nc2ccccn21 ZINC000002251988 527449055 /nfs/dbraw/zinc/44/90/55/527449055.db2.gz IKLJXWBYLNQXLN-LGUFXXKBSA-N 0 0 396.494 4.011 50 30 GIEARN O=C(Nc1nncn1-c1ccccc1)c1cc(Br)ccc1Cl ZINC000095456429 527585328 /nfs/dbraw/zinc/58/53/28/527585328.db2.gz MCRAASOBAUQOGI-UHFFFAOYSA-N 0 0 377.629 4.320 50 30 GIEARN O=C(/C=C\c1cccs1)c1cc(Cl)ccc1OC(=O)N1CCOCC1 ZINC000033442436 527658925 /nfs/dbraw/zinc/65/89/25/527658925.db2.gz YWPHLHGEWSHSEU-PLNGDYQASA-N 0 0 377.849 4.129 50 30 GIEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1OC)C2=O ZINC000006463707 527964136 /nfs/dbraw/zinc/96/41/36/527964136.db2.gz BVBVJMNQRSOASL-PGIWOYKXSA-N 0 0 394.423 4.198 50 30 GIEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000019731380 528082836 /nfs/dbraw/zinc/08/28/36/528082836.db2.gz JJYIHDYVEBELQH-OAQYLSRUSA-N 0 0 381.472 4.236 50 30 GIEARN CCCCCCCC(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C ZINC000097940400 528118879 /nfs/dbraw/zinc/11/88/79/528118879.db2.gz PBQJDDGLAGQRHB-UHFFFAOYSA-N 0 0 377.554 4.388 50 30 GIEARN CCCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000097944169 528127321 /nfs/dbraw/zinc/12/73/21/528127321.db2.gz HCSKCZJAJYIPFM-CQSZACIVSA-N 0 0 380.558 4.065 50 30 GIEARN CCOc1ccc(/N=C2/S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2CC)cc1 ZINC000100259579 528374880 /nfs/dbraw/zinc/37/48/80/528374880.db2.gz OARSSHIABCUFFX-GWSFVKJMSA-N 0 0 398.484 4.423 50 30 GIEARN COc1ccc(NC(=O)CC[C@H]2CCCN(c3ncccc3C#N)C2)cc1Cl ZINC000095513209 536765401 /nfs/dbraw/zinc/76/54/01/536765401.db2.gz WXJZMHCSIBBUAU-OAHLLOKOSA-N 0 0 398.894 4.251 50 30 GIEARN CCCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC ZINC000005047908 560200480 /nfs/dbraw/zinc/20/04/80/560200480.db2.gz QIJIXAJOACZAFM-NDENLUEZSA-N 0 0 382.412 4.277 50 30 biogenic,in-vitro GIEARN CCOc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2cccnc2)cc1 ZINC000046127106 570210293 /nfs/dbraw/zinc/21/02/93/570210293.db2.gz KCVQYFRPHXIJKF-UHFFFAOYSA-N 0 0 388.471 4.187 50 30 GIEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(Cl)ccc2C)cc1 ZINC000046129190 570211151 /nfs/dbraw/zinc/21/11/51/570211151.db2.gz KXXHCTZVRWCLRD-GOSISDBHSA-N 0 0 385.895 4.334 50 30 GIEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)c(Cl)c2)c1 ZINC000046131722 570211980 /nfs/dbraw/zinc/21/19/80/570211980.db2.gz RRENGQPQZGAFQL-INIZCTEOSA-N 0 0 389.858 4.164 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)cc1 ZINC000046133296 570212216 /nfs/dbraw/zinc/21/22/16/570212216.db2.gz AXMUQALIVKZNMR-LJQANCHMSA-N 0 0 385.895 4.279 50 30 GIEARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)c3ccc(C#CC(C)(C)O)o3)C2)cc1 ZINC000011818824 570234235 /nfs/dbraw/zinc/23/42/35/570234235.db2.gz TWHNGAPRUWIPSY-FQEVSTJZSA-N 0 0 394.515 4.242 50 30 GIEARN C=CCOc1cccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000012196237 570235768 /nfs/dbraw/zinc/23/57/68/570235768.db2.gz AFEKHZAZRMWXRN-FQEVSTJZSA-N 0 0 382.479 4.127 50 30 GIEARN C=CCOc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000012343874 570237075 /nfs/dbraw/zinc/23/70/75/570237075.db2.gz FCULYEJQZHUHHE-UYRXBGFRSA-N 0 0 379.437 4.171 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2C)C1=O ZINC000051366838 570238381 /nfs/dbraw/zinc/23/83/81/570238381.db2.gz UOAYPLOLOJPBLJ-JIIKEMMSSA-N 0 0 381.501 4.248 50 30 GIEARN C=CCc1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc(OC)c1OC ZINC000012998049 570239900 /nfs/dbraw/zinc/23/99/00/570239900.db2.gz AHGIZLGAXNOSKI-UHFFFAOYSA-N 0 0 380.448 4.010 50 30 GIEARN O=C(NCc1ccccc1[N+](=O)[O-])Nc1cccc(C#Cc2cccs2)c1 ZINC000048365474 570245418 /nfs/dbraw/zinc/24/54/18/570245418.db2.gz KSWKYUXCECWQFU-UHFFFAOYSA-N 0 0 377.425 4.378 50 30 GIEARN C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2ccccc2o1 ZINC000015867343 570248858 /nfs/dbraw/zinc/24/88/58/570248858.db2.gz YMDBMIXGZONXQA-UHFFFAOYSA-N 0 0 397.485 4.065 50 30 GIEARN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OC ZINC000001158107 570250580 /nfs/dbraw/zinc/25/05/80/570250580.db2.gz UKCUANBQOSQXGP-UHFFFAOYSA-N 0 0 388.847 4.485 50 30 GIEARN CCCCCCCn1c(SCCCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000053290205 570262283 /nfs/dbraw/zinc/26/22/83/570262283.db2.gz XXLYORWUXMOKKU-UHFFFAOYSA-N 0 0 380.558 4.066 50 30 GIEARN CCOC(=O)CCCC[C@H]1CCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104276708 570272630 /nfs/dbraw/zinc/27/26/30/570272630.db2.gz RVNZRRRSHCXQSL-XEMYWUMJSA-N 0 0 392.412 4.195 50 30 GIEARN COC(=O)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000002095079 570274501 /nfs/dbraw/zinc/27/45/01/570274501.db2.gz DTNXUFAEPOLTBR-DDRRTAJHSA-N 0 0 386.860 4.360 50 30 GIEARN C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)NCC)CCCC3)cc1 ZINC000002668423 570274874 /nfs/dbraw/zinc/27/48/74/570274874.db2.gz BRWVWZCYTPDELK-UHFFFAOYSA-N 0 0 384.501 4.194 50 30 GIEARN C=CCn1c(=O)sc2cc(NC(=O)c3ccc(Br)cc3)ccc21 ZINC000015865095 570280181 /nfs/dbraw/zinc/28/01/81/570280181.db2.gz ZZJRRPVORUVHMC-UHFFFAOYSA-N 0 0 389.274 4.264 50 30 GIEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1C ZINC000021149538 570284108 /nfs/dbraw/zinc/28/41/08/570284108.db2.gz HGVHAALXAXQIMQ-UHFFFAOYSA-N 0 0 383.429 4.010 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000021123989 570288285 /nfs/dbraw/zinc/28/82/85/570288285.db2.gz ZRFYZCMMEDFFJW-AWEZNQCLSA-N 0 0 382.304 4.157 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000006908057 570296787 /nfs/dbraw/zinc/29/67/87/570296787.db2.gz WUZYHCIBWFMTGI-HXUWFJFHSA-N 0 0 388.423 4.328 50 30 GIEARN O=[N+]([O-])c1cccc(/C=N\[C@@H]2CCCC[C@@H]2/N=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000100172728 570320997 /nfs/dbraw/zinc/32/09/97/570320997.db2.gz BUVWLXJOISQWFF-YZTMLVOKSA-N 0 0 380.404 4.352 50 30 GIEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000000786883 570328256 /nfs/dbraw/zinc/32/82/56/570328256.db2.gz CIPJJHAHFSFXAJ-UHFFFAOYSA-N 0 0 392.440 4.362 50 30 GIEARN COc1ccccc1N1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N ZINC000003176708 570330042 /nfs/dbraw/zinc/33/00/42/570330042.db2.gz WLOFUDRCHPHFQR-UHFFFAOYSA-N 0 0 397.887 4.189 50 30 GIEARN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(Cc2cccs2)CC1 ZINC000023881101 570333743 /nfs/dbraw/zinc/33/37/43/570333743.db2.gz SCUKQJFONFOFOV-UHFFFAOYSA-N 0 0 387.508 4.245 50 30 GIEARN CCC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000004899381 570358647 /nfs/dbraw/zinc/35/86/47/570358647.db2.gz STJRTMJUYULVQZ-SQULJVTFSA-N 0 0 381.501 4.329 50 30 GIEARN COc1cc(C=NN2CN=NC2=S)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000004136566 570358940 /nfs/dbraw/zinc/35/89/40/570358940.db2.gz VQONVZFHMUSYLZ-FSJBWODESA-N 0 0 396.516 4.334 50 30 GIEARN Cc1c(N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)c(=O)n(-c2ccccc2)n1C ZINC000004275625 570364863 /nfs/dbraw/zinc/36/48/63/570364863.db2.gz QDOANWVBFAYXTC-UHFFFAOYSA-N 0 0 377.488 4.304 50 30 GIEARN CC(C)[C@@H](C)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000004917635 570365430 /nfs/dbraw/zinc/36/54/30/570365430.db2.gz CAZWJBCKZDPIDW-OAHLLOKOSA-N 0 0 382.485 4.027 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc(OC)c1OC ZINC000004918630 570365777 /nfs/dbraw/zinc/36/57/77/570365777.db2.gz RPXJXVSRNFJRSB-NQIIRXRSSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004918709 570365793 /nfs/dbraw/zinc/36/57/93/570365793.db2.gz FKPIHMWYZYRBSX-QUCCMNQESA-N 0 0 383.375 4.053 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccc(F)cc1 ZINC000004919819 570366158 /nfs/dbraw/zinc/36/61/58/570366158.db2.gz OFZVLNOPNSRDNE-GCJKJVERSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1C ZINC000004919855 570366170 /nfs/dbraw/zinc/36/61/70/570366170.db2.gz MFMYOKFTJOOHBO-XXBNENTESA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)CS/C(=N\c1ccccc1)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000004334697 570368568 /nfs/dbraw/zinc/36/85/68/570368568.db2.gz UVSOEJPWRWXOMO-BQHWHHKNSA-N 0 0 378.457 4.197 50 30 GIEARN CC(C)(O)C#Cc1ccc(CN=Nc2ncc(Cl)cc2C(F)(F)F)cc1 ZINC000004363129 570371045 /nfs/dbraw/zinc/37/10/45/570371045.db2.gz BDPBKTSKALQNDV-YSURURNPSA-N 0 0 381.785 4.322 50 30 GIEARN C[C@@H](c1ccccc1)N(C)Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 ZINC000023819906 570373132 /nfs/dbraw/zinc/37/31/32/570373132.db2.gz KZGBCPKQQDVPOO-HNNXBMFYSA-N 0 0 392.528 4.053 50 30 GIEARN CCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436355 570375316 /nfs/dbraw/zinc/37/53/16/570375316.db2.gz YBDQACIIKPXBRL-KRWDZBQOSA-N 0 0 384.505 4.057 50 30 GIEARN CCSc1nc2n(n1)[C@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436350 570375371 /nfs/dbraw/zinc/37/53/71/570375371.db2.gz YBDQACIIKPXBRL-QGZVFWFLSA-N 0 0 384.505 4.057 50 30 GIEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc2c1 ZINC000004959793 570382046 /nfs/dbraw/zinc/38/20/46/570382046.db2.gz JBQUNHIGIRNRSJ-UHFFFAOYSA-N 0 0 392.440 4.362 50 30 GIEARN COc1cc(/C=C2/C(C)=NN(c3ccccc3Cl)C2=O)ccc1OCC#N ZINC000004613890 570387649 /nfs/dbraw/zinc/38/76/49/570387649.db2.gz KKHHJWXJDYNSMO-PTNGSMBKSA-N 0 0 381.819 4.057 50 30 GIEARN COC(=O)c1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(C)C2=O)cc1 ZINC000004664496 570390804 /nfs/dbraw/zinc/39/08/04/570390804.db2.gz JMVYTXSMPLFCFS-WBCKRXDOSA-N 0 0 380.469 4.324 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000002874320 570390948 /nfs/dbraw/zinc/39/09/48/570390948.db2.gz ASFKICALRXQIPI-SFHVURJKSA-N 0 0 378.457 4.328 50 30 GIEARN CCN1C(=O)/C(=C\c2ccc(F)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000004664405 570390996 /nfs/dbraw/zinc/39/09/96/570390996.db2.gz JAUUUZXOWLNQOM-JRLDGGGSSA-N 0 0 384.432 4.236 50 30 GIEARN C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000002859492 570391050 /nfs/dbraw/zinc/39/10/50/570391050.db2.gz OHJWVSFIZIQJRB-UHFFFAOYSA-N 0 0 380.429 4.014 50 30 GIEARN COc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)O[C@@]2(O)CC(C)(C)CC(=O)[C@@H]12 ZINC000004666719 570391568 /nfs/dbraw/zinc/39/15/68/570391568.db2.gz NMOVZZLGMACDGB-PTLVVNQVSA-N 0 0 398.499 4.146 50 30 GIEARN C=CCN(c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1)S(C)(=O)=O ZINC000002873163 570392273 /nfs/dbraw/zinc/39/22/73/570392273.db2.gz NVDXKXVLSYWANH-UHFFFAOYSA-N 0 0 386.517 4.016 50 30 GIEARN CC(C)c1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 ZINC000035671209 570411411 /nfs/dbraw/zinc/41/14/11/570411411.db2.gz ZGSGZARBPCTCQR-UHFFFAOYSA-N 0 0 381.411 4.243 50 30 GIEARN Cc1sc(C2=C(N)N(Cc3ccccc3)[C@H](C)C2=O)nc1-c1ccccc1 ZINC000034770132 570421571 /nfs/dbraw/zinc/42/15/71/570421571.db2.gz CBCUCEVSUDXQGL-CQSZACIVSA-N 0 0 375.497 4.219 50 30 GIEARN O=C1c2ccccc2S/C1=N/Nc1ccc(I)cc1 ZINC000005006194 570423242 /nfs/dbraw/zinc/42/32/42/570423242.db2.gz LCRXFQJZRSHMEQ-SAPNQHFASA-N 0 0 380.210 4.005 50 30 GIEARN Clc1ccccc1CN1CCN(N=Cc2ccc(Br)cc2)CC1 ZINC000238900010 570427582 /nfs/dbraw/zinc/42/75/82/570427582.db2.gz HPMTZLYMZFAYAE-UHFFFAOYSA-N 0 0 392.728 4.254 50 30 GIEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000005094684 570428908 /nfs/dbraw/zinc/42/89/08/570428908.db2.gz GZDAXOWDCFUAPW-NRFANRHFSA-N 0 0 387.483 4.324 50 30 GIEARN O=C(C1=C(O)C(=O)O[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000005249097 570432415 /nfs/dbraw/zinc/43/24/15/570432415.db2.gz IQVNOJDNAZHMMD-MRXNPFEDSA-N 0 0 393.620 4.395 50 30 GIEARN CCCc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000026779524 570437421 /nfs/dbraw/zinc/43/74/21/570437421.db2.gz LPQTUSVHCZOBIB-UHFFFAOYSA-N 0 0 386.499 4.410 50 30 GIEARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000005445711 570440066 /nfs/dbraw/zinc/44/00/66/570440066.db2.gz AMGLKJYCDXDPHG-OAQYLSRUSA-N 0 0 385.419 4.478 50 30 GIEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(C)[C@@H]2c2ccccc2F)cc1 ZINC000011914463 570447795 /nfs/dbraw/zinc/44/77/95/570447795.db2.gz YQJRKWSCUZQSIS-LJQANCHMSA-N 0 0 383.419 4.069 50 30 GIEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000006001994 570463810 /nfs/dbraw/zinc/46/38/10/570463810.db2.gz ONCZAQUNACZYGJ-HNNXBMFYSA-N 0 0 381.501 4.083 50 30 GIEARN O=C1C(=O)N(c2ccc(Br)cc2)C/C1=C\c1ccc(Cl)cc1 ZINC000006221082 570472590 /nfs/dbraw/zinc/47/25/90/570472590.db2.gz JGKNMPSVACBNLR-FMIVXFBMSA-N 0 0 376.637 4.102 50 30 GIEARN CCN1C(=O)N[C@H](c2ccccc2)C(C(=O)C=Cc2ccc(OC)cc2)=C1C ZINC000006604178 570495341 /nfs/dbraw/zinc/49/53/41/570495341.db2.gz DHFIWBXXWMQOFD-OWSFEGEDSA-N 0 0 376.456 4.338 50 30 GIEARN C[C@H](Sc1ncnc2sc3c(c21)CCC3)C(=O)Nc1cccc(C#N)c1 ZINC000005212746 570511773 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50 30 GIEARN C=CCC(O)(CC=C)c1ccc(CN(CCOC)Cc2cccc(OC)c2)o1 ZINC000036156153 570553392 /nfs/dbraw/zinc/55/33/92/570553392.db2.gz ZOPAYZURPGLKTH-UHFFFAOYSA-N 0 0 385.504 4.277 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cccc(C)c3)C2)cc1 ZINC000005324076 570553593 /nfs/dbraw/zinc/55/35/93/570553593.db2.gz PDNHZLVOIXRKLL-VGOFRKELSA-N 0 0 386.455 4.011 50 30 GIEARN COC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000009482732 570558890 /nfs/dbraw/zinc/55/88/90/570558890.db2.gz JAKYSIQWDIZSMO-QHCPKHFHSA-N 0 0 390.483 4.476 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(C)cc4)nc3c2[C@@H]1c1ccco1 ZINC000005345155 570560776 /nfs/dbraw/zinc/56/07/76/570560776.db2.gz MZXKISCSOQUMAP-GOSISDBHSA-N 0 0 386.411 4.080 50 30 GIEARN Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CCC2)[C@@H]4c2ccco2)c1 ZINC000005347121 570562109 /nfs/dbraw/zinc/56/21/09/570562109.db2.gz RSHYBHAETQTHME-IBGZPJMESA-N 0 0 398.422 4.224 50 30 GIEARN O=C(c1ccccc1)C1=CN(c2cccc(F)c2)c2ccccc2S1(=O)=O ZINC000032984126 570572547 /nfs/dbraw/zinc/57/25/47/570572547.db2.gz LBTNDRNIJNALBR-UHFFFAOYSA-N 0 0 379.412 4.475 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(C)cc1 ZINC000225512756 570582295 /nfs/dbraw/zinc/58/22/95/570582295.db2.gz DZXBPKJFAQRXFM-JTHBVZDNSA-N 0 0 377.484 4.380 50 30 GIEARN C=CC[C@@]1(C#N)C(=S)NC(C)=C(C(=O)Nc2ccccc2)[C@@H]1c1ccco1 ZINC000005416122 570588547 /nfs/dbraw/zinc/58/85/47/570588547.db2.gz GFXXJTHGSNYVOU-RXVVDRJESA-N 0 0 377.469 4.293 50 30 GIEARN COc1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c(OC)c1OC ZINC000005520026 570622676 /nfs/dbraw/zinc/62/26/76/570622676.db2.gz OWCIANPAUJJLNK-AUEPDCJTSA-N 0 0 398.488 4.042 50 30 GIEARN CCOc1ccc(C=CC(=O)C2=CN(CC)C(=O)N[C@H]2c2ccccc2)cc1 ZINC000012389356 570639029 /nfs/dbraw/zinc/63/90/29/570639029.db2.gz NQDMXKOFTSLCEK-GLBTYYSXSA-N 0 0 376.456 4.338 50 30 GIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1[C@@H]1CC=CCC1 ZINC000226659363 570645385 /nfs/dbraw/zinc/64/53/85/570645385.db2.gz FXJVOSSDVORWEP-MWTRTKDXSA-N 0 0 393.531 4.033 50 30 GIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1[C@@H]1CC=CCC1 ZINC000226659380 570645390 /nfs/dbraw/zinc/64/53/90/570645390.db2.gz FXJVOSSDVORWEP-WAIKUNEKSA-N 0 0 393.531 4.033 50 30 GIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1 ZINC000012406470 570662246 /nfs/dbraw/zinc/66/22/46/570662246.db2.gz IBISBKYAIDVORC-KPZWWZAWSA-N 0 0 394.456 4.119 50 30 GIEARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1 ZINC000012406476 570662376 /nfs/dbraw/zinc/66/23/76/570662376.db2.gz IBISBKYAIDVORC-KZULUSFZSA-N 0 0 394.456 4.119 50 30 GIEARN C=CCO[C@@H](C)C(=O)Nc1cc(C)nn1-c1cc(C(F)(F)F)ccc1Cl ZINC000060350625 570672439 /nfs/dbraw/zinc/67/24/39/570672439.db2.gz RRVYQOYGQUGLHX-NSHDSACASA-N 0 0 387.789 4.383 50 30 GIEARN Cc1nc(-c2ccc(C#N)cc2)n(CC(=O)/C=C2\N(C)c3ccccc3C2(C)C)n1 ZINC000062626504 570678537 /nfs/dbraw/zinc/67/85/37/570678537.db2.gz LEBRJGOCWPZZSV-XKZIYDEJSA-N 0 0 397.482 4.006 50 30 GIEARN C=CCn1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1ccccc1F ZINC000004356583 570696389 /nfs/dbraw/zinc/69/63/89/570696389.db2.gz XWQYGBRTLPDCBS-UHFFFAOYSA-N 0 0 376.501 4.008 50 30 GIEARN C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000004362973 570710596 /nfs/dbraw/zinc/71/05/96/570710596.db2.gz MIRODLYAGFNCBU-UHFFFAOYSA-N 0 0 392.440 4.264 50 30 GIEARN CCC[C@H](C#N)NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000058172282 570715349 /nfs/dbraw/zinc/71/53/49/570715349.db2.gz NWCQYRWXCKWPAZ-JXVRESAISA-N 0 0 384.483 4.420 50 30 GIEARN CN(C)/C=C(/C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000012861093 570724775 /nfs/dbraw/zinc/72/47/75/570724775.db2.gz KPXHKQLADWBUSI-WJDWOHSUSA-N 0 0 384.284 4.053 50 30 GIEARN CCOC(=O)c1cnn(-c2nc(-c3ccc(C#N)cc3)cs2)c1C(F)(F)F ZINC000004394870 570727440 /nfs/dbraw/zinc/72/74/40/570727440.db2.gz CQMNURLPFNISNS-UHFFFAOYSA-N 0 0 392.362 4.063 50 30 GIEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OC)c1OC ZINC000000947874 570734686 /nfs/dbraw/zinc/73/46/86/570734686.db2.gz PHCUCMCGISDEIZ-UHFFFAOYSA-N 0 0 386.473 4.167 50 30 GIEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 ZINC000001162674 570759036 /nfs/dbraw/zinc/75/90/36/570759036.db2.gz PZNMLJIQGSBDRM-OXVFXORMSA-N 0 0 397.474 4.136 50 30 GIEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(Cl)cc1 ZINC000100874453 570778789 /nfs/dbraw/zinc/77/87/89/570778789.db2.gz CLNSNINTBMMMEP-HRGDMGKESA-N 0 0 383.904 4.403 50 30 GIEARN N=C1NC(N=Nc2nc(-c3ccc(Br)cc3)cs2)c2ccccc21 ZINC000100931527 570781092 /nfs/dbraw/zinc/78/10/92/570781092.db2.gz CMXMSWRJTYXFTR-UHFFFAOYSA-N 0 0 398.289 4.065 50 30 GIEARN C=CCOC(=O)C1=C(C)NC(=S)[C@@](C#N)(CC=C)[C@H]1c1ccccc1Cl ZINC000100969379 570784111 /nfs/dbraw/zinc/78/41/11/570784111.db2.gz SNVDSJZFACZEPJ-FXAWDEMLSA-N 0 0 386.904 4.443 50 30 GIEARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]3CC[C@]12C ZINC000257357758 570785786 /nfs/dbraw/zinc/78/57/86/570785786.db2.gz PTARAGMFTGDAST-OFYVVLSASA-N 0 0 390.520 4.024 50 30 GIEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257359326 570786206 /nfs/dbraw/zinc/78/62/06/570786206.db2.gz ZPTTUFVORSZZFO-NWVMWTAYSA-N 0 0 390.495 4.357 50 30 GIEARN N#Cc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000005868154 570799408 /nfs/dbraw/zinc/79/94/08/570799408.db2.gz RMXIPOAKPLTYJV-QGZVFWFLSA-N 0 0 393.493 4.438 50 30 GIEARN Cc1cc(C(F)(F)F)c(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)n1 ZINC000036784202 570813484 /nfs/dbraw/zinc/81/34/84/570813484.db2.gz WKZLAIQOQJPXPA-HNNXBMFYSA-N 0 0 379.407 4.202 50 30 GIEARN COc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000006016647 570814573 /nfs/dbraw/zinc/81/45/73/570814573.db2.gz JLXIMGLICGVRFH-QGZVFWFLSA-N 0 0 379.195 4.295 50 30 GIEARN CCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N/c1ccccc1 ZINC000004680237 570826371 /nfs/dbraw/zinc/82/63/71/570826371.db2.gz FSPVCCPYBPPREJ-KFBYJWCXSA-N 0 0 383.429 4.227 50 30 GIEARN C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007297850 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C=CCn1c(SCCC[C@@H](C)O)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000170612983 212113729 /nfs/dbraw/zinc/11/37/29/212113729.db2.gz UJDQCXHDKBBFIM-CHWSQXEVSA-N 0 0 378.563 4.022 50 30 GIEARN C=CCN(C(=O)C1CCN(C(=O)OCC)CC1)c1nc(-c2ccccc2)cs1 ZINC000032994588 212110925 /nfs/dbraw/zinc/11/09/25/212110925.db2.gz XOWKMIWHRNMQCX-UHFFFAOYSA-N 0 0 399.516 4.198 50 30 GIEARN C=C(C)CN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000001320640 212101481 /nfs/dbraw/zinc/10/14/81/212101481.db2.gz SOMOMQPXZYOCLK-XMMPIXPASA-N 0 0 377.484 4.367 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 ZINC000002113544 212101390 /nfs/dbraw/zinc/10/13/90/212101390.db2.gz LAANKXXOGICTHM-GOSISDBHSA-N 0 0 396.497 4.322 50 30 GIEARN C=C(C)Cn1nc(SCC)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839105 212100524 /nfs/dbraw/zinc/10/05/24/212100524.db2.gz CLFXRWMALYMIAY-UHFFFAOYSA-N 0 0 380.517 4.080 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cccs1 ZINC000000718732 212100235 /nfs/dbraw/zinc/10/02/35/212100235.db2.gz KBCMVDJECURDCQ-UHFFFAOYSA-N 0 0 388.493 4.371 50 30 GIEARN C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1cccc(C)c1 ZINC000004814647 212079918 /nfs/dbraw/zinc/07/99/18/212079918.db2.gz OBOWLHDLJHAGJM-CYBMUJFWSA-N 0 0 385.518 4.015 50 30 GIEARN C=CCn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc(C)cc1 ZINC000006300188 212081732 /nfs/dbraw/zinc/08/17/32/212081732.db2.gz FYENGUSVDMTMSL-UHFFFAOYSA-N 0 0 396.491 4.134 50 30 GIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O ZINC000004386010 212077157 /nfs/dbraw/zinc/07/71/57/212077157.db2.gz SZPHNTVYQCLCJI-LJQANCHMSA-N 0 0 389.499 4.397 50 30 GIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cncc(Br)c3)sc2C1 ZINC000000947390 220470009 /nfs/dbraw/zinc/47/00/09/220470009.db2.gz CYALFTIHPGQIDS-VIFPVBQESA-N 0 0 376.279 4.154 50 30 GIEARN O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccccc2)n1)c1ccccc1 ZINC000002320482 220522308 /nfs/dbraw/zinc/52/23/08/220522308.db2.gz GFQQPQUENQSFFY-UHFFFAOYSA-N 0 0 383.411 4.156 50 30 GIEARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)c(C#N)c1C ZINC000002736443 220559024 /nfs/dbraw/zinc/55/90/24/220559024.db2.gz FAIGZUGIKCPTFJ-DHZHZOJOSA-N 0 0 385.464 4.201 50 30 GIEARN CCOc1cc(C#N)cc(I)c1OCc1ccccc1 ZINC000002801471 220568137 /nfs/dbraw/zinc/56/81/37/220568137.db2.gz FGQKZXGSNWDUKS-UHFFFAOYSA-N 0 0 379.197 4.141 50 30 GIEARN CCn1cc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cn1 ZINC000002807843 220570093 /nfs/dbraw/zinc/57/00/93/220570093.db2.gz SIYZSSGGKYGVCN-UHFFFAOYSA-N 0 0 386.492 4.389 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000003098461 220603791 /nfs/dbraw/zinc/60/37/91/220603791.db2.gz OBEPGWIAWIQQOL-HXUWFJFHSA-N 0 0 396.443 4.049 50 30 GIEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccccc1 ZINC000004005490 220670720 /nfs/dbraw/zinc/67/07/20/220670720.db2.gz JMKJZHKMDUEINT-VXNXHJTFSA-N 0 0 377.484 4.394 50 30 GIEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000004043589 220673867 /nfs/dbraw/zinc/67/38/67/220673867.db2.gz DWERWCKSPSJLPR-QFIPXVFZSA-N 0 0 396.531 4.452 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)s1 ZINC000004189550 220691918 /nfs/dbraw/zinc/69/19/18/220691918.db2.gz KNMKUACJGXILQD-RDBACFOTSA-N 0 0 382.485 4.287 50 30 GIEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SCC(C)C)nc3NC3=C2C(=O)CCC3)cc1 ZINC000004793507 220766516 /nfs/dbraw/zinc/76/65/16/220766516.db2.gz LOUQWVKUFDSHDU-QGZVFWFLSA-N 0 0 395.528 4.391 50 30 GIEARN CCOc1cc(C#N)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000004809033 220767597 /nfs/dbraw/zinc/76/75/97/220767597.db2.gz KQKNRTMNVABUSC-UHFFFAOYSA-N 0 0 377.194 4.207 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000004918402 220791219 /nfs/dbraw/zinc/79/12/19/220791219.db2.gz UAFWPSXFDVHBJQ-PGRDOPGGSA-N 0 0 398.430 4.162 50 30 GIEARN N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000005270565 220853436 /nfs/dbraw/zinc/85/34/36/220853436.db2.gz NZQOQPBDBUMMGM-UHFFFAOYSA-N 0 0 398.249 4.327 50 30 GIEARN CCCOc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000005215699 220844895 /nfs/dbraw/zinc/84/48/95/220844895.db2.gz KJYFEOHPQMEJTL-UHFFFAOYSA-N 0 0 388.471 4.329 50 30 GIEARN Cc1ccccc1N1C(=O)c2ccc(C(=O)OCc3ccccc3C#N)cc2C1=O ZINC000006234588 220925180 /nfs/dbraw/zinc/92/51/80/220925180.db2.gz AAGJIYDWUCJXOB-UHFFFAOYSA-N 0 0 396.402 4.024 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)cc1 ZINC000006819655 220968005 /nfs/dbraw/zinc/96/80/05/220968005.db2.gz MTHQRDOXHLYNJH-PBHICJAKSA-N 0 0 381.859 4.353 50 30 GIEARN CC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C#N)CC1 ZINC000006742380 220956013 /nfs/dbraw/zinc/95/60/13/220956013.db2.gz BGWAOWMBVAXTTB-UHFFFAOYSA-N 0 0 381.501 4.101 50 30 GIEARN N#Cc1c2c(sc1NC(=O)COCc1cc(-c3cccs3)on1)CCCC2 ZINC000006876543 220974147 /nfs/dbraw/zinc/97/41/47/220974147.db2.gz QJTQTSISICYBAI-UHFFFAOYSA-N 0 0 399.497 4.370 50 30 GIEARN N#Cc1cccnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000007052324 220984431 /nfs/dbraw/zinc/98/44/31/220984431.db2.gz FAOVOPKKXHZPQK-UHFFFAOYSA-N 0 0 381.457 4.116 50 30 GIEARN N#Cc1ccccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000007166613 220988434 /nfs/dbraw/zinc/98/84/34/220988434.db2.gz VNSLKLLFEJVWEO-UHFFFAOYSA-N 0 0 395.396 4.060 50 30 GIEARN C[C@H](Oc1ccc(Br)cc1Cl)C(=O)NC1(C#N)CCCCC1 ZINC000007646023 221004909 /nfs/dbraw/zinc/00/49/09/221004909.db2.gz WMYJWQZCNGCNIY-NSHDSACASA-N 0 0 385.689 4.212 50 30 GIEARN N#Cc1ccsc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000007763615 221010726 /nfs/dbraw/zinc/01/07/26/221010726.db2.gz DDVAWQRVWCOKEW-UHFFFAOYSA-N 0 0 387.515 4.005 50 30 GIEARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCC#N)cc12 ZINC000007535969 221000879 /nfs/dbraw/zinc/00/08/79/221000879.db2.gz BBCPJNURCNZMKU-UHFFFAOYSA-N 0 0 380.256 4.442 50 30 GIEARN CCC(=O)OCCNc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000007995332 221022542 /nfs/dbraw/zinc/02/25/42/221022542.db2.gz QIMZZYZNJQHDCW-UHFFFAOYSA-N 0 0 398.532 4.400 50 30 GIEARN CCCCN1c2ccccc2S(=O)(=O)N=C1SCc1ccc(C#N)cc1 ZINC000008024019 221023550 /nfs/dbraw/zinc/02/35/50/221023550.db2.gz HICCLVOAGZHFQF-UHFFFAOYSA-N 0 0 385.514 4.156 50 30 GIEARN N#Cc1cccnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008157154 221028817 /nfs/dbraw/zinc/02/88/17/221028817.db2.gz NGSINWCLFXHDLT-OAHLLOKOSA-N 0 0 394.481 4.078 50 30 GIEARN CCCCCC[C@H](C)NC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000008687980 221049782 /nfs/dbraw/zinc/04/97/82/221049782.db2.gz WYWHJMYLFXZABE-HNNXBMFYSA-N 0 0 385.599 4.302 50 30 GIEARN COc1cc(C#N)ccc1OCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000008748452 221055823 /nfs/dbraw/zinc/05/58/23/221055823.db2.gz QYTREBLWMUVDDB-UHFFFAOYSA-N 0 0 375.306 4.215 50 30 GIEARN CCc1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCCC4)CC2=O)cc1 ZINC000009233363 221075021 /nfs/dbraw/zinc/07/50/21/221075021.db2.gz ABUTUDSDIZMTLT-HNNXBMFYSA-N 0 0 393.512 4.053 50 30 GIEARN N#Cc1ccccc1CSCCNc1ncnc2c1cnn2-c1ccccc1 ZINC000009513571 221083256 /nfs/dbraw/zinc/08/32/56/221083256.db2.gz SGLGJIRZCKBDSM-UHFFFAOYSA-N 0 0 386.484 4.032 50 30 GIEARN C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 ZINC000009668567 221088937 /nfs/dbraw/zinc/08/89/37/221088937.db2.gz TWDUEYRTKNHHMQ-CYBMUJFWSA-N 0 0 394.272 4.253 50 30 GIEARN COc1ccc(NC(=O)COc2nc(-c3ccccc3)c3c(c2C#N)CCC3)cc1 ZINC000012324471 221182116 /nfs/dbraw/zinc/18/21/16/221182116.db2.gz ARNIMQBTGYIDFY-UHFFFAOYSA-N 0 0 399.450 4.135 50 30 GIEARN CC1=C(C(=O)C=Cc2ccc(N(C)C)cc2)[C@H](c2ccccc2)NC(=O)N1C ZINC000012324389 221183093 /nfs/dbraw/zinc/18/30/93/221183093.db2.gz MGUSQTUZCATBIP-GLBTYYSXSA-N 0 0 375.472 4.005 50 30 GIEARN Cc1c(C)n(C2CCCC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C#N ZINC000012257104 221173695 /nfs/dbraw/zinc/17/36/95/221173695.db2.gz MBZUTNHDNHWJEG-UHFFFAOYSA-N 0 0 382.420 4.017 50 30 GIEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4C[C@@H](C)O[C@@H](C)C4)o3)o2)c1 ZINC000012418978 221191543 /nfs/dbraw/zinc/19/15/43/221191543.db2.gz RODYTDOPCGRQEE-IYBDPMFKSA-N 0 0 393.443 4.307 50 30 GIEARN CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000012554966 221207232 /nfs/dbraw/zinc/20/72/32/221207232.db2.gz BMNXRKFDPYCAJN-ZDUSSCGKSA-N 0 0 396.516 4.286 50 30 GIEARN COc1ccccc1N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000012912003 221244918 /nfs/dbraw/zinc/24/49/18/221244918.db2.gz RSSSAOOONNFMGY-UHFFFAOYSA-N 0 0 396.443 4.101 50 30 GIEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000012938306 221249321 /nfs/dbraw/zinc/24/93/21/221249321.db2.gz LWOKLIDTQSJCER-HNNXBMFYSA-N 0 0 391.496 4.341 50 30 GIEARN COc1ccc(-c2cc(C(F)F)c(C#N)c(SCC(C)=O)n2)cc1OC ZINC000015082518 221332236 /nfs/dbraw/zinc/33/22/36/221332236.db2.gz PWPNCCYZJYLEAN-UHFFFAOYSA-N 0 0 378.400 4.256 50 30 GIEARN COCc1c(C#N)c(NCc2ccccc2)nc(C)c1NC(=O)c1ccccc1 ZINC000015084524 221333147 /nfs/dbraw/zinc/33/31/47/221333147.db2.gz VGIOABQJPOYQKB-UHFFFAOYSA-N 0 0 386.455 4.273 50 30 GIEARN Cc1nc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)nn1-c1ccc(F)cc1 ZINC000015190932 221334448 /nfs/dbraw/zinc/33/44/48/221334448.db2.gz WPRDOQHSDTUGJD-UHFFFAOYSA-N 0 0 398.397 4.473 50 30 GIEARN N#Cc1ccc(NC(=O)C[C@@H]2Nc3cccc4cccc(c43)NC2=O)cc1Cl ZINC000017084876 221379804 /nfs/dbraw/zinc/37/98/04/221379804.db2.gz VTWFHGCNAUGNLZ-SFHVURJKSA-N 0 0 390.830 4.126 50 30 GIEARN Cc1ccc2c(c1)/C(=C1\S/C(=N\c3ccc(C)c(Cl)c3)NC1=O)C(=O)N2 ZINC000018181444 221389181 /nfs/dbraw/zinc/38/91/81/221389181.db2.gz DVSRTEAEVPVWTJ-FOCLMDBBSA-N 0 0 383.860 4.171 50 30 GIEARN CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccc(C)c(C)c3)NC1=O)OCO2 ZINC000018254935 221391812 /nfs/dbraw/zinc/39/18/12/221391812.db2.gz KOGNTWVCSHFSQZ-DJKKODMXSA-N 0 0 396.468 4.322 50 30 GIEARN N#Cc1c(N)nc2sc(C(=O)c3ccc(F)cc3)c(N)c2c1-c1ccccc1 ZINC000019595499 221434686 /nfs/dbraw/zinc/43/46/86/221434686.db2.gz PYKLXVMYPHDHCJ-UHFFFAOYSA-N 0 0 388.427 4.369 50 30 GIEARN COc1cc(C(=O)/C=C\c2cccc3c2OCCCO3)ccc1OC(F)F ZINC000096256138 533507062 /nfs/dbraw/zinc/50/70/62/533507062.db2.gz FMWWVIWINMXQKX-VURMDHGXSA-N 0 0 376.355 4.354 50 30 GIEARN N#Cc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(F)c1 ZINC000063507943 136156470 /nfs/dbraw/zinc/15/64/70/136156470.db2.gz DDYUHAYLZXFHDE-UHFFFAOYSA-N 0 0 384.764 4.091 50 30 GIEARN Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC000065034381 136158961 /nfs/dbraw/zinc/15/89/61/136158961.db2.gz HKRNKLYBOJHDEZ-UHFFFAOYSA-N 0 0 395.466 4.142 50 30 GIEARN COc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1Br ZINC000100992489 136189236 /nfs/dbraw/zinc/18/92/36/136189236.db2.gz SUCNNOOTWMYRCM-DEDYPNTBSA-N 0 0 375.266 4.045 50 30 GIEARN C[C@H]1CCc2sc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2C1 ZINC000037143002 221868034 /nfs/dbraw/zinc/86/80/34/221868034.db2.gz QGYLHWXOPWRVQH-KRWDZBQOSA-N 0 0 393.556 4.093 50 30 GIEARN CN(Cc1ccc2c(c1)OCCO2)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000040149438 221913166 /nfs/dbraw/zinc/91/31/66/221913166.db2.gz MUNVRKUNQDSLHP-UHFFFAOYSA-N 0 0 397.381 4.115 50 30 GIEARN Cc1ccc2c(ncc(C(=O)N3CCC(C)CC3)c2Nc2cccc(C#N)c2)n1 ZINC000049005428 221994098 /nfs/dbraw/zinc/99/40/98/221994098.db2.gz CCVLARPMFZPBLJ-UHFFFAOYSA-N 0 0 385.471 4.426 50 30 GIEARN CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(NCC)nc1 ZINC000071750225 222190223 /nfs/dbraw/zinc/19/02/23/222190223.db2.gz NGRKFWTYNBIBTN-CQSZACIVSA-N 0 0 394.523 4.049 50 30 GIEARN CCc1nc(SCC(=O)N[C@H](C)c2ccccc2)c(C#N)c2c1CCCC2 ZINC000071328744 222182478 /nfs/dbraw/zinc/18/24/78/222182478.db2.gz NTCCHBTYBSIGAX-OAHLLOKOSA-N 0 0 379.529 4.364 50 30 GIEARN Cc1cc(C(=O)NCCNc2cccc(F)c2C#N)c(C)n1Cc1ccccc1 ZINC000071821154 222200185 /nfs/dbraw/zinc/20/01/85/222200185.db2.gz MQHXEOQVRYFUMX-UHFFFAOYSA-N 0 0 390.462 4.006 50 30 GIEARN N#Cc1cnn2c1ncc1c(C=CNc3ccc(OC(F)(F)F)cc3)nccc12 ZINC000100311481 222458187 /nfs/dbraw/zinc/45/81/87/222458187.db2.gz LECBDJRPPMAYLU-FNORWQNLSA-N 0 0 396.332 4.131 50 30 GIEARN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C ZINC000003372234 534222495 /nfs/dbraw/zinc/22/24/95/534222495.db2.gz POZPZZKONKRHIV-UHFFFAOYSA-N 0 0 389.415 4.241 50 30 GIEARN C#CCOc1c(Cl)cc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000096767091 518317437 /nfs/dbraw/zinc/31/74/37/518317437.db2.gz FCYVULAVIIGFCC-XQRVVYSFSA-N 0 0 384.815 4.028 50 30 GIEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc(OC)c3)CC2)c1 ZINC000001140743 518646192 /nfs/dbraw/zinc/64/61/92/518646192.db2.gz GCNDEZUNQOWPIX-UHFFFAOYSA-N 0 0 393.531 4.495 50 30 GIEARN C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014980832 518685953 /nfs/dbraw/zinc/68/59/53/518685953.db2.gz WRFYCNGMEWKIFL-SFHVURJKSA-N 0 0 375.428 4.000 50 30 GIEARN C=CCN(C(=O)CSC(=S)OCC)c1nc(-c2ccccc2)cs1 ZINC000003304638 518733852 /nfs/dbraw/zinc/73/38/52/518733852.db2.gz ULUSMNQLQZGESE-UHFFFAOYSA-N 0 0 378.544 4.384 50 30 GIEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1 ZINC000004358062 518764827 /nfs/dbraw/zinc/76/48/27/518764827.db2.gz WQJPDKVSGNYPMD-UHFFFAOYSA-N 0 0 394.500 4.128 50 30 GIEARN C=CCN1C(=O)C(=C2SC(=Nc3ccc(F)cc3)NC2=O)c2ccccc21 ZINC000096463204 518828543 /nfs/dbraw/zinc/82/85/43/518828543.db2.gz LENYEMRLPKHBJD-WUKNDPDISA-N 0 0 379.416 4.460 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccc(F)cc1 ZINC000016741383 518836161 /nfs/dbraw/zinc/83/61/61/518836161.db2.gz MEUXIADUIZYNQS-FQEVSTJZSA-N 0 0 395.430 4.297 50 30 GIEARN C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2C)c2cccc(C)c21 ZINC000032103682 518845037 /nfs/dbraw/zinc/84/50/37/518845037.db2.gz MCVZZTXNINMWLP-DEOSSOPVSA-N 0 0 398.466 4.300 50 30 GIEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O ZINC000004385963 518870027 /nfs/dbraw/zinc/87/00/27/518870027.db2.gz RGGQJWKJGIGYDE-INIZCTEOSA-N 0 0 395.890 4.271 50 30 GIEARN C=CCSc1nc2ccccc2n1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000012614452 519080938 /nfs/dbraw/zinc/08/09/38/519080938.db2.gz NJGNVRAXZBXHDO-UHFFFAOYSA-N 0 0 384.457 4.029 50 30 GIEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023158 519174383 /nfs/dbraw/zinc/17/43/83/519174383.db2.gz QGWOIYKKFBWJQR-QIQQCEGHSA-N 0 0 382.533 4.134 50 30 GIEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023159 519174789 /nfs/dbraw/zinc/17/47/89/519174789.db2.gz QGWOIYKKFBWJQR-RMENWYJGSA-N 0 0 382.533 4.134 50 30 GIEARN C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)c1ccccc1 ZINC000000673187 519181723 /nfs/dbraw/zinc/18/17/23/519181723.db2.gz DTIVARGBHHGTBI-UHFFFAOYSA-N 0 0 378.501 4.360 50 30 GIEARN C=CCn1c(SCC(=O)N(c2ccncc2)C(C)C)nnc1-c1ccccc1 ZINC000006832674 519201127 /nfs/dbraw/zinc/20/11/27/519201127.db2.gz ZJVXLMPSCZRUNG-UHFFFAOYSA-N 0 0 393.516 4.060 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(F)cc1 ZINC000002210773 519220828 /nfs/dbraw/zinc/22/08/28/519220828.db2.gz WTNQGEOOGTVHQA-UHFFFAOYSA-N 0 0 382.464 4.309 50 30 GIEARN C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccccc1F ZINC000002620864 519233505 /nfs/dbraw/zinc/23/35/05/519233505.db2.gz VRNPOJPUQHIMSL-UHFFFAOYSA-N 0 0 383.448 4.254 50 30 GIEARN C=CCn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1-c1ccoc1C ZINC000048354281 519235213 /nfs/dbraw/zinc/23/52/13/519235213.db2.gz ROCAMZNXTQJUSC-UHFFFAOYSA-N 0 0 386.433 4.112 50 30 GIEARN CC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000004024676 519366827 /nfs/dbraw/zinc/36/68/27/519366827.db2.gz RKHFVNGOTJXVKF-JOCHJYFZSA-N 0 0 379.431 4.393 50 30 GIEARN CC(=O)N(c1nc(COC(=O)C2(C#N)CCCC2)cs1)c1ccccc1F ZINC000024841460 519476721 /nfs/dbraw/zinc/47/67/21/519476721.db2.gz SQFHIFCGNGOMOM-UHFFFAOYSA-N 0 0 387.436 4.094 50 30 GIEARN CC(C)Cn1cnc2c(c1=N)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000101114651 519530356 /nfs/dbraw/zinc/53/03/56/519530356.db2.gz XVOQPRAQPKJQKM-SFHVURJKSA-N 0 0 377.488 4.186 50 30 GIEARN CCNC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000002544425 519902561 /nfs/dbraw/zinc/90/25/61/519902561.db2.gz FUNSOHLKQFKQJG-WSDLNYQXSA-N 0 0 391.924 4.136 50 30 GIEARN CCCCCCCNC(=O)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000102838901 520054065 /nfs/dbraw/zinc/05/40/65/520054065.db2.gz NNTPLRRITZOGPE-UHFFFAOYSA-N 0 0 380.536 4.447 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)cc1 ZINC000101284977 520060160 /nfs/dbraw/zinc/06/01/60/520060160.db2.gz FTCCRAGDZLEWHS-IBGZPJMESA-N 0 0 384.480 4.089 50 30 GIEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000101661343 520068911 /nfs/dbraw/zinc/06/89/11/520068911.db2.gz BVTOFXVSGVAVKX-FQEVSTJZSA-N 0 0 393.915 4.258 50 30 GIEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000019535413 520228432 /nfs/dbraw/zinc/22/84/32/520228432.db2.gz NIVKXQPUNUJJTD-OAQYLSRUSA-N 0 0 382.504 4.419 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccc(F)c2O)C1=O ZINC000036258120 520534174 /nfs/dbraw/zinc/53/41/74/520534174.db2.gz MWTLHYDIPNJOKU-LFIBNONCSA-N 0 0 399.443 4.383 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccccc2)C1=O ZINC000005092625 520535692 /nfs/dbraw/zinc/53/56/92/520535692.db2.gz IUYQUVGDZGRLHC-LGMDPLHJSA-N 0 0 381.453 4.239 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C)ccc2O)C1=O ZINC000036258402 520538700 /nfs/dbraw/zinc/53/87/00/520538700.db2.gz PNRMXXXAPNQIAD-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCCCNC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000012377721 520629612 /nfs/dbraw/zinc/62/96/12/520629612.db2.gz LZWJUSCKNNMNAA-GLEDVZQVSA-N 0 0 381.501 4.129 50 30 GIEARN CCOc1cc(/C=C\C(=O)c2cccc(OC)c2)cc(Br)c1O ZINC000057825238 520636674 /nfs/dbraw/zinc/63/66/74/520636674.db2.gz LRVQQLBPWFWGJD-FPLPWBNLSA-N 0 0 377.234 4.458 50 30 GIEARN CCCCOc1ccc(C(=O)ONC(=N)c2cccc(Br)c2)cc1 ZINC000004831975 520871752 /nfs/dbraw/zinc/87/17/52/520871752.db2.gz VGIRMEVVGZWCOH-UHFFFAOYSA-N 0 0 391.265 4.105 50 30 GIEARN CC1=NOC(=O)/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000100815553 520900374 /nfs/dbraw/zinc/90/03/74/520900374.db2.gz GSILOJFBSLLVMV-OVCLIPMQSA-N 0 0 390.208 4.483 50 30 GIEARN CCC[C@H](C#N)NC(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000096315818 520967764 /nfs/dbraw/zinc/96/77/64/520967764.db2.gz NWCQYRWXCKWPAZ-KSAKKHMLSA-N 0 0 384.483 4.420 50 30 GIEARN CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@H](C#N)[C@]1(O)c1ccccc1 ZINC000248288753 521142338 /nfs/dbraw/zinc/14/23/38/521142338.db2.gz IFJQETUKALJECG-HLNWXESRSA-N 0 0 387.888 4.087 50 30 GIEARN CCCCn1cnc2c(c1=N)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)O2 ZINC000101170446 521394852 /nfs/dbraw/zinc/39/48/52/521394852.db2.gz GQQDYRKERKYDNX-GOSISDBHSA-N 0 0 377.488 4.330 50 30 GIEARN CCOc1ccccc1NC(=O)C(=O)C=C(O)C1=C(C)Nc2ccccc2S1 ZINC000100742264 521519664 /nfs/dbraw/zinc/51/96/64/521519664.db2.gz OFXRDYFBGBMQIL-UHFFFAOYSA-N 0 0 396.468 4.001 50 30 GIEARN CCSc1nnc(C(F)(F)F)n1/N=C/c1cc(Br)cs1 ZINC000036611519 521792084 /nfs/dbraw/zinc/79/20/84/521792084.db2.gz DJBOJJNCSJWIRY-SYZQJQIISA-N 0 0 385.234 4.115 50 30 GIEARN COc1cc(/C=C/C(=O)c2sc(-c3ccc(O)cc3)nc2C)cc(OC)c1O ZINC000007333557 521941409 /nfs/dbraw/zinc/94/14/09/521941409.db2.gz BMWOIQUCMGJRSC-RUDMXATFSA-N 0 0 397.452 4.443 50 30 GIEARN COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000100815566 521949846 /nfs/dbraw/zinc/94/98/46/521949846.db2.gz FCEYGQYMUCLAGU-VIZOYTHASA-N 0 0 375.783 4.383 50 30 GIEARN COc1cc(/C=C\C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCC#N ZINC000096623680 521978610 /nfs/dbraw/zinc/97/86/10/521978610.db2.gz UBBBNDGPOHRUJA-OQFOIZHKSA-N 0 0 376.334 4.268 50 30 GIEARN COc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC(F)F ZINC000096765851 521982971 /nfs/dbraw/zinc/98/29/71/521982971.db2.gz WZVPAXJHFIMASP-YHYXMXQVSA-N 0 0 377.387 4.267 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCOc3ccccc3)c2)c1 ZINC000012776088 522192261 /nfs/dbraw/zinc/19/22/61/522192261.db2.gz OVVFYNUIORTXGG-UHFFFAOYSA-N 0 0 399.446 4.281 50 30 GIEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)cc2)c1=O ZINC000097474779 522578824 /nfs/dbraw/zinc/57/88/24/522578824.db2.gz BUMNZRXLKXQECY-WTKPLQERSA-N 0 0 378.653 4.401 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019831891 522884614 /nfs/dbraw/zinc/88/46/14/522884614.db2.gz SECFRAVOAJKANB-QGZVFWFLSA-N 0 0 399.368 4.447 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccs1 ZINC000019798498 522885089 /nfs/dbraw/zinc/88/50/89/522885089.db2.gz VAFCCRUOBMQJCG-BLVKFPJESA-N 0 0 385.510 4.344 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000102802710 523272563 /nfs/dbraw/zinc/27/25/63/523272563.db2.gz XWBOIIKPZUICJP-LFVOPCPISA-N 0 0 399.874 4.107 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006781552 523284611 /nfs/dbraw/zinc/28/46/11/523284611.db2.gz GSSPODMFMKGDIV-LJQANCHMSA-N 0 0 397.471 4.192 50 30 GIEARN CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC)c3C)C2=O)c2ccccc21 ZINC000028182631 523306661 /nfs/dbraw/zinc/30/66/61/523306661.db2.gz MVUKSQKQWYGCRK-JAIQZWGSSA-N 0 0 391.423 4.138 50 30 GIEARN COc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC ZINC000100022630 523383412 /nfs/dbraw/zinc/38/34/12/523383412.db2.gz ZMGUKFHHNQMKJI-NFXRBXGASA-N 0 0 396.439 4.459 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc1OC(F)F ZINC000007325170 523399030 /nfs/dbraw/zinc/39/90/30/523399030.db2.gz LYTBPRKNGYIMLD-ONNFQVAWSA-N 0 0 387.382 4.320 50 30 GIEARN COc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1COCC(F)(F)F ZINC000033288784 523409245 /nfs/dbraw/zinc/40/92/45/523409245.db2.gz JDMWBMVPDSUPMN-MHWRWJLKSA-N 0 0 391.345 4.119 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)cc1OC ZINC000020759878 523421968 /nfs/dbraw/zinc/42/19/68/523421968.db2.gz XOSALYYWAMYXNF-BKUYFWCQSA-N 0 0 395.455 4.012 50 30 GIEARN COc1ccc(C=CC(=O)c2ccc(NC3=NCCCS3)cc2)cc1OC ZINC000033695679 523431983 /nfs/dbraw/zinc/43/19/83/523431983.db2.gz LPEUDECWYKGQSK-WMZJFQQLSA-N 0 0 382.485 4.314 50 30 GIEARN CN(C)C=NC(=O)[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004002265 523967612 /nfs/dbraw/zinc/96/76/12/523967612.db2.gz ZSZGBMDULYEKCA-XDEFOSFOSA-N 0 0 388.442 4.305 50 30 GIEARN CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1 ZINC000020503231 524073717 /nfs/dbraw/zinc/07/37/17/524073717.db2.gz QMUZOFAKTHOVFF-NRFANRHFSA-N 0 0 395.528 4.111 50 30 GIEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 ZINC000020518172 524114820 /nfs/dbraw/zinc/11/48/20/524114820.db2.gz LWIRBGUTAVQGHG-FAPYRAKZSA-N 0 0 394.427 4.291 50 30 GIEARN Cc1cccc(C[C@@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)c1 ZINC000013477834 524469161 /nfs/dbraw/zinc/46/91/61/524469161.db2.gz KKGUJSQIPFKPKN-HNNXBMFYSA-N 0 0 375.291 4.219 50 30 GIEARN Cc1cccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(F)cc(F)c3)C2)c1 ZINC000017112326 524841525 /nfs/dbraw/zinc/84/15/25/524841525.db2.gz CSBQVWKFASWXTC-LHSJRXKWSA-N 0 0 392.409 4.280 50 30 GIEARN Cc1ccc(NC(=O)C(=O)C2=C(O)C3=C(CC2)Nc2ccccc2S3)cc1C ZINC000100721876 525013924 /nfs/dbraw/zinc/01/39/24/525013924.db2.gz HHXQJMJTJRSUMP-OAHLLOKOSA-N 0 0 392.480 4.220 50 30 GIEARN C[C@@H](NC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000002370425 525257062 /nfs/dbraw/zinc/25/70/62/525257062.db2.gz JHAUZUIBRFOYAR-MJGOQNOKSA-N 0 0 399.498 4.105 50 30 GIEARN Cc1ccc(Nc2nnc(SCC(=O)N[C@](C)(C#N)C(C)C)s2)cc1C ZINC000003535456 525329591 /nfs/dbraw/zinc/32/95/91/525329591.db2.gz PFKAIFVLRGMHNN-GOSISDBHSA-N 0 0 389.550 4.045 50 30 GIEARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccnc3)cc2)cc1 ZINC000012521177 525597836 /nfs/dbraw/zinc/59/78/36/525597836.db2.gz FVUNWINEXUGINQ-AWNIVKPZSA-N 0 0 378.453 4.087 50 30 GIEARN C[C@@H]1[C@H](NC(=O)c2cccc(NC(=O)C3CC3)c2)CC(=O)N1Cc1ccccc1 ZINC000328594409 525673854 /nfs/dbraw/zinc/67/38/54/525673854.db2.gz IXIDUKNOWMOFER-FOIQADDNSA-N 0 0 391.471 4.179 50 30 GIEARN C[C@H](Nc1nc2no[nH]c-2nc1=NN=Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000098086411 525680037 /nfs/dbraw/zinc/68/00/37/525680037.db2.gz PMLRSLKLESYMHL-ZXCVBSDHSA-N 0 0 398.430 4.113 50 30 GIEARN Cc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1[N+](=O)[O-] ZINC000013858346 525742937 /nfs/dbraw/zinc/74/29/37/525742937.db2.gz RLFLRGASSZBQCT-UDWIEESQSA-N 0 0 380.429 4.484 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)o1 ZINC000001121115 526029235 /nfs/dbraw/zinc/02/92/35/526029235.db2.gz PAPIPFQVMCREPT-SFHVURJKSA-N 0 0 381.359 4.099 50 30 GIEARN Oc1ccc2ccccc2c1CN=Nc1nnnn1-c1cccc2ccccc21 ZINC000004481173 526354589 /nfs/dbraw/zinc/35/45/89/526354589.db2.gz NALNWSLCPVWTLC-OEAKJJBVSA-N 0 0 380.411 4.120 50 30 GIEARN N#CC1(NC(=O)CNc2cccc(C#Cc3cccs3)c2)CCCCCC1 ZINC000029934326 526435315 /nfs/dbraw/zinc/43/53/15/526435315.db2.gz VKKCZIVZXBSBLS-UHFFFAOYSA-N 0 0 377.513 4.293 50 30 GIEARN N#CC1CCN(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000058265283 526440739 /nfs/dbraw/zinc/44/07/39/526440739.db2.gz PCEXJHASMXXBDB-GOSISDBHSA-N 0 0 378.501 4.306 50 30 GIEARN O=C(Oc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1)c1ccccc1 ZINC000004551303 526445164 /nfs/dbraw/zinc/44/51/64/526445164.db2.gz VLLTXXQDFVTHBD-XIEYBQDHSA-N 0 0 386.451 4.493 50 30 GIEARN N#Cc1ccc(C(=O)/C=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)cc1 ZINC000033580424 526587406 /nfs/dbraw/zinc/58/74/06/526587406.db2.gz YJUMYSNGAKHULA-YWEYNIOJSA-N 0 0 388.408 4.304 50 30 GIEARN Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000013551810 526675232 /nfs/dbraw/zinc/67/52/32/526675232.db2.gz WIJHENCDNLUGRH-QVKFZJNVSA-N 0 0 388.423 4.352 50 30 GIEARN O=C(COC(=O)c1ccc(C#Cc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000002816200 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50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000006812948 570494870 /nfs/dbraw/zinc/49/48/70/570494870.db2.gz YYZOCYRUQQXVNF-IBGZPJMESA-N 0 0 399.874 4.263 50 30 GIEARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 ZINC000005179936 570495133 /nfs/dbraw/zinc/49/51/33/570495133.db2.gz LJHOEPJWIQAPBY-ZDUSSCGKSA-N 0 0 377.473 4.025 50 30 GIEARN CCOc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1 ZINC000006819771 570495761 /nfs/dbraw/zinc/49/57/61/570495761.db2.gz ZSAYYKPKXZVFKW-PXNSSMCTSA-N 0 0 391.467 4.098 50 30 GIEARN C=CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 ZINC000005199757 570500744 /nfs/dbraw/zinc/50/07/44/570500744.db2.gz GZEXRNYRCFDXKO-CYBMUJFWSA-N 0 0 382.485 4.252 50 30 GIEARN C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccccc1C#N ZINC000006612082 570504566 /nfs/dbraw/zinc/50/45/66/570504566.db2.gz JXKMBDOQTAAOFS-OAHLLOKOSA-N 0 0 398.418 4.366 50 30 GIEARN CCCCOC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002740819 570510564 /nfs/dbraw/zinc/51/05/64/570510564.db2.gz NIYMNLUOWPKNOO-UHFFFAOYSA-N 0 0 389.267 4.415 50 30 GIEARN CCOC(=O)COc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1OC ZINC000032465093 570510815 /nfs/dbraw/zinc/51/08/15/570510815.db2.gz OSDXXHKLJPQMNF-FBHDLOMBSA-N 0 0 397.258 4.390 50 30 GIEARN Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002777871 570515708 /nfs/dbraw/zinc/51/57/08/570515708.db2.gz XINBVWUHHZQEKH-UHFFFAOYSA-N 0 0 393.621 4.040 50 30 GIEARN CC(=O)[C@@H]1[C@H](c2ccc(F)cc2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000036074948 570528670 /nfs/dbraw/zinc/52/86/70/570528670.db2.gz KNONFVJMISTVFL-PWRODBHTSA-N 0 0 375.378 4.081 50 30 GIEARN N#Cc1ccc(CN2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000022804437 570550425 /nfs/dbraw/zinc/55/04/25/570550425.db2.gz ULYBUZWEYSFJSM-UHFFFAOYSA-N 0 0 392.503 4.139 50 30 GIEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(C)cc1 ZINC000004331387 570575253 /nfs/dbraw/zinc/57/52/53/570575253.db2.gz FMSBVRVKRRKQKO-OAHLLOKOSA-N 0 0 380.517 4.290 50 30 GIEARN Cc1cccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)n1 ZINC000004333796 570575730 /nfs/dbraw/zinc/57/57/30/570575730.db2.gz VBQBBPQKVDMVDN-GOSISDBHSA-N 0 0 376.437 4.234 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccc(C)c1 ZINC000225506431 570581524 /nfs/dbraw/zinc/58/15/24/570581524.db2.gz DJNVJPXIMDCSLQ-REWPJTCUSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)ccc2OC)C[C@H]1c1cccs1 ZINC000225510880 570581812 /nfs/dbraw/zinc/58/18/12/570581812.db2.gz OLCASSOXVDMHGR-JXFKEZNVSA-N 0 0 386.469 4.085 50 30 GIEARN COc1cc2c(cc1OC)C(=CC(=O)c1cc(Cl)cc(Cl)c1)NCC2 ZINC000005421905 570589700 /nfs/dbraw/zinc/58/97/00/570589700.db2.gz XCDQUFRZXARWOQ-YBEGLDIGSA-N 0 0 378.255 4.380 50 30 GIEARN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000002634209 570591779 /nfs/dbraw/zinc/59/17/79/570591779.db2.gz YIQMOKMCFKOCAJ-UHFFFAOYSA-N 0 0 398.919 4.193 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000006813284 570617102 /nfs/dbraw/zinc/61/71/02/570617102.db2.gz ARXFBSURRXXUNR-LJQANCHMSA-N 0 0 397.471 4.110 50 30 GIEARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N/C(=N/c2ccccc2)S1 ZINC000006816323 570618184 /nfs/dbraw/zinc/61/81/84/570618184.db2.gz FTEJKJUZJUHKHX-AWEZNQCLSA-N 0 0 394.283 4.241 50 30 GIEARN Cc1ccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)cc1 ZINC000033011132 570623055 /nfs/dbraw/zinc/62/30/55/570623055.db2.gz ZLHNESJICUTUGA-UHFFFAOYSA-N 0 0 387.508 4.380 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3)C2)cc1 ZINC000012390009 570641210 /nfs/dbraw/zinc/64/12/10/570641210.db2.gz PWVOBNSEFYTWPE-YWZLYKJASA-N 0 0 388.427 4.058 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005799280 570692550 /nfs/dbraw/zinc/69/25/50/570692550.db2.gz ORYQNXUXHRKLFS-LJQANCHMSA-N 0 0 394.427 4.282 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccncc1 ZINC000006907650 570698846 /nfs/dbraw/zinc/69/88/46/570698846.db2.gz AMGQSDJJRWFCKI-UHFFFAOYSA-N 0 0 390.512 4.380 50 30 GIEARN COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1nc(C)c(Cl)c1C ZINC000006921423 570706538 /nfs/dbraw/zinc/70/65/38/570706538.db2.gz QWEDYBJNWFBJMQ-SOFGYWHQSA-N 0 0 398.894 4.148 50 30 GIEARN N#C[C@@H](NC(=O)CCc1ccccc1Cl)c1cccc(Br)c1 ZINC000058179447 570716904 /nfs/dbraw/zinc/71/69/04/570716904.db2.gz RHFAUWUQCYWWJO-MRXNPFEDSA-N 0 0 377.669 4.416 50 30 GIEARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C#N)cc3F)cc2s1 ZINC000004385369 570726538 /nfs/dbraw/zinc/72/65/38/570726538.db2.gz VCHQJMHFWRHVDE-UHFFFAOYSA-N 0 0 382.420 4.298 50 30 GIEARN CC(C)c1nc(C2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)no1 ZINC000292989250 570749464 /nfs/dbraw/zinc/74/94/64/570749464.db2.gz YDSWGMAXWXNRQY-UHFFFAOYSA-N 0 0 396.491 4.020 50 30 GIEARN C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccc(C)cc1 ZINC000013633694 570764804 /nfs/dbraw/zinc/76/48/04/570764804.db2.gz QPSMFSCDQUSEKU-QFEZKATASA-N 0 0 391.500 4.467 50 30 GIEARN Cc1ccccc1C[C@@H]1S/C(=N/c2ccc(Br)cc2)NC1=O ZINC000005813327 570774824 /nfs/dbraw/zinc/77/48/24/570774824.db2.gz 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379.334 4.014 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccccc1F ZINC000097104933 570894222 /nfs/dbraw/zinc/89/42/22/570894222.db2.gz PNTDIEXDDQEUDV-GCJKJVERSA-N 0 0 398.430 4.162 50 30 GIEARN C=CCN1C(=O)[C@@H](Cc2ccc(OCC)cc2)S/C1=N/N=C/c1cccs1 ZINC000016684105 570930709 /nfs/dbraw/zinc/93/07/09/570930709.db2.gz NBEZILFAOYZIGB-KQHGIQCESA-N 0 0 399.541 4.209 50 30 GIEARN O=[N+]([O-])c1ccc(N=NC(CCc2ccccc2)c2cccnc2)c([N+](=O)[O-])c1 ZINC000254707269 570949816 /nfs/dbraw/zinc/94/98/16/570949816.db2.gz UNLWEJKWIIVZIR-UHFFFAOYSA-N 0 0 391.387 4.347 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1OC ZINC000004736519 570951414 /nfs/dbraw/zinc/95/14/14/570951414.db2.gz ANPNSZZYSRDVBW-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN Cc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1C ZINC000083316728 570957328 /nfs/dbraw/zinc/95/73/28/570957328.db2.gz AHEIIOQEHVBKLE-OLRQPGBRSA-N 0 0 385.464 4.033 50 30 GIEARN Cc1ccccc1N=Nc1c(-c2ccccc2)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O 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388.471 4.105 50 30 GIEARN COc1cccc(CN=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC ZINC000252598953 571004601 /nfs/dbraw/zinc/00/46/01/571004601.db2.gz DFINJNSGJLQVIE-UHFFFAOYSA-N 0 0 384.417 4.182 50 30 GIEARN CCOc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2CC)cc1 ZINC000252608867 571008946 /nfs/dbraw/zinc/00/89/46/571008946.db2.gz HOLKFDWHQNCIKH-HKRQWEHGSA-N 0 0 396.468 4.438 50 30 GIEARN COC(=O)c1ccc(/C=C2\SC(=Nc3cc(C)ccc3C)N(C)C2=O)cc1 ZINC000252614894 571017719 /nfs/dbraw/zinc/01/77/19/571017719.db2.gz JMVYTXSMPLFCFS-NVGQKUQCSA-N 0 0 380.469 4.324 50 30 GIEARN O=c1c2c3c(sc2ncn1N=Cc1c(O)ccc2ccccc21)CCCC3 ZINC000252617689 571019353 /nfs/dbraw/zinc/01/93/53/571019353.db2.gz KYJMLIDDTUTNBT-UHFFFAOYSA-N 0 0 375.453 4.078 50 30 GIEARN CC(C)c1cccc(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1 ZINC000084625246 571027614 /nfs/dbraw/zinc/02/76/14/571027614.db2.gz OYDQHLGEYHPGSU-OAHLLOKOSA-N 0 0 393.512 4.223 50 30 GIEARN CCOC(=O)c1oc2c(c1C)C(=NOC(=O)c1ccccc1Cl)CCC2 ZINC000252621021 571033166 /nfs/dbraw/zinc/03/31/66/571033166.db2.gz MRDLVCBUWXLXCH-UHFFFAOYSA-N 0 0 375.808 4.316 50 30 GIEARN C#CCN(C(=O)N[C@@H](COC)c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000072288038 571046058 /nfs/dbraw/zinc/04/60/58/571046058.db2.gz STZLQQDFNUZHIH-SFHVURJKSA-N 0 0 382.426 4.370 50 30 GIEARN CCC(C(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F ZINC000002288393 817382540 /nfs/dbraw/zinc/38/25/40/817382540.db2.gz CZTXTDGUWDFRJA-UHFFFAOYSA-N 0 0 375.216 4.016 50 30 GIEARN N#Cc1ccc(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000002660863 817397307 /nfs/dbraw/zinc/39/73/07/817397307.db2.gz PLLDMLZLMUPVSM-UHFFFAOYSA-N 0 0 399.166 4.357 50 30 GIEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000002736262 817399013 /nfs/dbraw/zinc/39/90/13/817399013.db2.gz MNIWGLFTLSNYGN-UHFFFAOYSA-N 0 0 375.881 4.316 50 30 GIEARN N#Cc1ccc(-c2cccc(C(F)(F)F)c2)n(Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000003128328 817418310 /nfs/dbraw/zinc/41/83/10/817418310.db2.gz WLNOWKQKUOZHDU-UHFFFAOYSA-N 0 0 399.328 4.362 50 30 GIEARN N#CCCn1cc(C=C2SC(=S)NC2=O)c(-c2cccc3ccccc32)n1 ZINC000003308076 817434286 /nfs/dbraw/zinc/43/42/86/817434286.db2.gz MDOHROIEBCKRGD-GZTJUZNOSA-N 0 0 390.493 4.106 50 30 GIEARN COc1ccc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn32)cc1O ZINC000003672109 817494059 /nfs/dbraw/zinc/49/40/59/817494059.db2.gz OTVCIKGGUIDFTN-YDZHTSKRSA-N 0 0 389.411 4.180 50 30 GIEARN COc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)c1OC ZINC000004005084 817496445 /nfs/dbraw/zinc/49/64/45/817496445.db2.gz MUDFWFKYVDBDOH-FQEVSTJZSA-N 0 0 375.428 4.076 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004119651 817504539 /nfs/dbraw/zinc/50/45/39/817504539.db2.gz GEMSDVYZWVGUAM-PZJWPPBQSA-N 0 0 379.412 4.223 50 30 GIEARN O=C1NC(=NN=Cc2cccs2)S[C@H]1Cc1ccc(Cl)cc1Cl ZINC000004183438 817509114 /nfs/dbraw/zinc/50/91/14/817509114.db2.gz HEGIRXVLVLQKLJ-ZDUSSCGKSA-N 0 0 384.313 4.219 50 30 aggregator GIEARN O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000007586446 817874975 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N#Cc1c(COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cn2ccccc12 ZINC000012867118 221240522 /nfs/dbraw/zinc/24/05/22/221240522.db2.gz WDVJODPTEXMEGS-FNORWQNLSA-N 0 0 381.775 4.129 50 30 GIEARN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000012886710 221240757 /nfs/dbraw/zinc/24/07/57/221240757.db2.gz CONDYBSSVWIGMO-UHFFFAOYSA-N 0 0 398.509 4.019 50 30 GIEARN N#Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000012909880 221244978 /nfs/dbraw/zinc/24/49/78/221244978.db2.gz JZZIUTZJBCJTQE-UHFFFAOYSA-N 0 0 399.922 4.263 50 30 GIEARN Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(Cl)cc2)n1 ZINC000013579579 221273931 /nfs/dbraw/zinc/27/39/31/221273931.db2.gz LDFLSILEARAAIB-UHFFFAOYSA-N 0 0 388.876 4.132 50 30 GIEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000013810440 221290401 /nfs/dbraw/zinc/29/04/01/221290401.db2.gz NUBQUSBUAMLXJD-UNOMPAQXSA-N 0 0 378.472 4.061 50 30 GIEARN COc1ccc(C[C@@H](NC(=O)c2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000015524975 221336765 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393.439 4.330 50 30 GIEARN Cc1ccc(-c2ccc(/C=N/N=C3\NC(=O)[C@H](Cc4ccccc4)S3)o2)cc1 ZINC000018209218 221390441 /nfs/dbraw/zinc/39/04/41/221390441.db2.gz NOCJOAFKKLQBQD-BTVXTAIASA-N 0 0 389.480 4.419 50 30 GIEARN O=c1[nH][nH]c2c1[C@@H](c1cccc(Cl)c1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000018200811 221390521 /nfs/dbraw/zinc/39/05/21/221390521.db2.gz BJIUIXCCFFKENF-BZNIZROVSA-N 0 0 381.819 4.320 50 30 GIEARN Cc1nc2scc(CC(C)C)c2c(N2CCc3c(C#N)c(N)sc3C2)n1 ZINC000071950631 136166862 /nfs/dbraw/zinc/16/68/62/136166862.db2.gz CGZUZYMYOZWAGD-UHFFFAOYSA-N 0 0 383.546 4.276 50 30 GIEARN N#Cc1ccc(C(F)(F)F)c(N2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000125813684 136192465 /nfs/dbraw/zinc/19/24/65/136192465.db2.gz ANNNKJFDVILUAZ-UHFFFAOYSA-N 0 0 387.361 4.096 50 30 GIEARN N#Cc1ccccc1OCC(=O)Oc1ccc2ccccc2c1Br ZINC000032988065 221761073 /nfs/dbraw/zinc/76/10/73/221761073.db2.gz SEGDFHRPTLCNKG-UHFFFAOYSA-N 0 0 382.213 4.458 50 30 GIEARN COc1ccc(/C=C\C(=O)Nc2sc3c(c2C#N)CC(C)(C)OC3)cc1OC ZINC000033323252 221787592 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N#Cc1ccc(Oc2cccc(NC(=O)N3CCC(c4cc[nH]n4)CC3)c2)cc1 ZINC000153716979 222530095 /nfs/dbraw/zinc/53/00/95/222530095.db2.gz FJVBLSXQAUHNRD-UHFFFAOYSA-N 0 0 387.443 4.485 50 30 GIEARN C[C@@H](O)c1cc(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)ccc1F ZINC000328592888 533864717 /nfs/dbraw/zinc/86/47/17/533864717.db2.gz AZJKFEWDGHJQJV-SNVBAGLBSA-N 0 0 394.328 4.115 50 30 GIEARN COC(=O)c1ccc(/C=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000006079027 533953633 /nfs/dbraw/zinc/95/36/33/533953633.db2.gz LFKXVUNRGCKLOX-LTGZKZEYSA-N 0 0 385.419 4.378 50 30 GIEARN COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(Cl)cc1 ZINC000004516916 534182151 /nfs/dbraw/zinc/18/21/51/534182151.db2.gz OABFWAKQAJKHKW-UHFFFAOYSA-N 0 0 380.835 4.378 50 30 GIEARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000170642828 518185130 /nfs/dbraw/zinc/18/51/30/518185130.db2.gz QOWJBSBIUPSFNO-YJYMSZOUSA-N 0 0 382.485 4.446 50 30 GIEARN CC(=O)[C@@H]1[C@@H](c2cccc(F)c2F)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21 ZINC000035937975 518210016 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398.846 4.286 50 30 GIEARN C=C(C)Cn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccncc1 ZINC000016788664 518639591 /nfs/dbraw/zinc/63/95/91/518639591.db2.gz FTAMXNZKIGMBBE-UHFFFAOYSA-N 0 0 393.516 4.264 50 30 GIEARN C=CCC1(CC=C)CCCCN1C(=O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000014971578 518690974 /nfs/dbraw/zinc/69/09/74/518690974.db2.gz ZLARTTJLMRDTBD-UHFFFAOYSA-N 0 0 384.911 4.497 50 30 GIEARN C=CCCO[C@H](C)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 ZINC000065513828 518707594 /nfs/dbraw/zinc/70/75/94/518707594.db2.gz ZKPXVHYASDNEGH-IAGOWNOFSA-N 0 0 385.504 4.154 50 30 GIEARN C=CCN(C(=O)c1cc2cnn(C(C)C)c2nc1C)c1nc2c(s1)CCCC2 ZINC000021973954 518737162 /nfs/dbraw/zinc/73/71/62/518737162.db2.gz ADHHTDJHEYAAON-UHFFFAOYSA-N 0 0 395.532 4.489 50 30 GIEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccc(OC)c(COC)c1 ZINC000055088678 518799613 /nfs/dbraw/zinc/79/96/13/518799613.db2.gz UOBLXQKRXVKKFZ-UHFFFAOYSA-N 0 0 379.460 4.080 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1ccc(C)cc1 ZINC000016741390 518836284 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C=CCNC(=O)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000012693449 518939273 /nfs/dbraw/zinc/93/92/73/518939273.db2.gz BLOKZVZBPAWYFV-UHFFFAOYSA-N 0 0 384.435 4.479 50 30 GIEARN C=CCOc1c(Cl)cc(CN2CCC[C@H]2c2nonc2C)cc1OCC ZINC000055225970 519003419 /nfs/dbraw/zinc/00/34/19/519003419.db2.gz FJIREJUXDMQOCO-INIZCTEOSA-N 0 0 377.872 4.332 50 30 GIEARN C=CCOc1ccc(-c2nn3c(nnc3-c3ccc(OC)c(OC)c3)s2)cc1 ZINC000017172988 519008674 /nfs/dbraw/zinc/00/86/74/519008674.db2.gz JJIYSDZWQJOMKM-UHFFFAOYSA-N 0 0 394.456 4.102 50 30 GIEARN C=CCSc1nsc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N ZINC000004335499 519092870 /nfs/dbraw/zinc/09/28/70/519092870.db2.gz VPWCKNLUZDAGKU-UHFFFAOYSA-N 0 0 377.472 4.176 50 30 GIEARN C=CCc1cc(CN(C)Cc2nc(-c3ccccn3)no2)ccc1OC(C)C ZINC000055107897 519129104 /nfs/dbraw/zinc/12/91/04/519129104.db2.gz GXOPGQTUZJTIQD-UHFFFAOYSA-N 0 0 378.476 4.279 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(OC)cc1 ZINC000005855420 519220283 /nfs/dbraw/zinc/22/02/83/519220283.db2.gz XQSCBEMCMQQFKB-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2sc(C)cc2c1=O ZINC000000641573 519221713 /nfs/dbraw/zinc/22/17/13/519221713.db2.gz OJHHEQFCXBZCRL-UHFFFAOYSA-N 0 0 399.541 4.300 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1C1CCCCC1 ZINC000003344416 519225320 /nfs/dbraw/zinc/22/53/20/519225320.db2.gz KNGANFKKXAJRIK-UHFFFAOYSA-N 0 0 391.928 4.291 50 30 GIEARN CC(=O)C(=CNc1cccc(OC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1 ZINC000005480801 519350436 /nfs/dbraw/zinc/35/04/36/519350436.db2.gz IDROVPGFSAOTHL-WJDWOHSUSA-N 0 0 396.340 4.447 50 30 GIEARN CC(C)Nc1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)s1 ZINC000033432689 519742682 /nfs/dbraw/zinc/74/26/82/519742682.db2.gz VZUYRWIAZTXUAX-YBEGLDIGSA-N 0 0 388.562 4.331 50 30 GIEARN CC(C)Oc1ccccc1/C=N\NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000032573575 519783818 /nfs/dbraw/zinc/78/38/18/519783818.db2.gz CZMDVJPRBMJIQD-GRSHGNNSSA-N 0 0 387.288 4.093 50 30 GIEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C\c1cccc(Oc2ccccc2)c1 ZINC000096888435 519807643 /nfs/dbraw/zinc/80/76/43/519807643.db2.gz XKCBSXVPGVVHOH-WHIOSMTNSA-N 0 0 392.455 4.090 50 30 GIEARN CCCCCCCCCc1nc2sc3c(c2c(=O)n1N)CC(C)(C)OC3 ZINC000002240028 520031882 /nfs/dbraw/zinc/03/18/82/520031882.db2.gz FPVFPHCZHCBAMO-UHFFFAOYSA-N 0 0 377.554 4.316 50 30 GIEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O ZINC000101661337 520068317 /nfs/dbraw/zinc/06/83/17/520068317.db2.gz BVTOFXVSGVAVKX-HXUWFJFHSA-N 0 0 393.915 4.258 50 30 GIEARN CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(NCCc2nc3ccccc3[nH]2)C1 ZINC000100168946 520253211 /nfs/dbraw/zinc/25/32/11/520253211.db2.gz LVGRICFONWQIIB-UHFFFAOYSA-N 0 0 387.483 4.221 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc2c(c1)OCO2 ZINC000019832535 520258337 /nfs/dbraw/zinc/25/83/37/520258337.db2.gz YGRNFNBJDRWLEN-IRLDBZIGSA-N 0 0 399.446 4.458 50 30 GIEARN CCOC(=O)C(=O)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 ZINC000020031849 520398156 /nfs/dbraw/zinc/39/81/56/520398156.db2.gz LTFPCASGLVMNOA-UHFFFAOYSA-N 0 0 392.289 4.288 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1Cl ZINC000019911376 520504878 /nfs/dbraw/zinc/50/48/78/520504878.db2.gz DWPHPCZDKMECHL-SFHVURJKSA-N 0 0 379.843 4.472 50 30 GIEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccc(O)cc2)C1=O ZINC000036258267 520536767 /nfs/dbraw/zinc/53/67/67/520536767.db2.gz QNJIDVAHSLXXTD-SFQUDFHCSA-N 0 0 381.453 4.244 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2CC)SC(=Cc2cccc(C)n2)C1=O ZINC000036301455 520538979 /nfs/dbraw/zinc/53/89/79/520538979.db2.gz FRFQHVCYIMHYSN-QGOAFFKASA-N 0 0 394.496 4.496 50 30 GIEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F ZINC000103087457 520556204 /nfs/dbraw/zinc/55/62/04/520556204.db2.gz DRWSTFAXQYVFTO-WOOAAIBNSA-N 0 0 383.419 4.056 50 30 GIEARN CCOc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc(Cl)c1O ZINC000007814810 520619009 /nfs/dbraw/zinc/61/90/09/520619009.db2.gz TUFRSCFYKUQPKO-VOTSOKGWSA-N 0 0 392.835 4.366 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 ZINC000019808846 520818366 /nfs/dbraw/zinc/81/83/66/520818366.db2.gz ANPYGTNREFYFPG-FQEVSTJZSA-N 0 0 387.426 4.419 50 30 GIEARN CCCCOc1ccc(CN=Nc2cc(-n3nc(C)cc3C)nc(C)n2)cc1 ZINC000032492051 520855222 /nfs/dbraw/zinc/85/52/22/520855222.db2.gz ZGERMSIBBMSEOH-HMAPJEAMSA-N 0 0 378.480 4.212 50 30 GIEARN CCOC(=O)N1C/C(=C/c2cccc(F)c2)C(=O)/C(=C\c2cccc(F)c2)C1 ZINC000096766678 520923901 /nfs/dbraw/zinc/92/39/01/520923901.db2.gz JJQPIMZWYKCYHA-XFQWXJFMSA-N 0 0 383.394 4.473 50 30 GIEARN CC1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)OC2CCCCC2)CC1 ZINC000004310168 521048202 /nfs/dbraw/zinc/04/82/02/521048202.db2.gz QZNLMHPQHOSZFJ-GOSISDBHSA-N 0 0 392.503 4.349 50 30 aggregator GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000241338538 521089601 /nfs/dbraw/zinc/08/96/01/521089601.db2.gz MBNFAKWBDNWBIJ-GGAORHGYSA-N 0 0 394.467 4.332 50 30 GIEARN CCCC[C@H](CC)CN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)cc1OC ZINC000004626475 521167842 /nfs/dbraw/zinc/16/78/42/521167842.db2.gz QBJKGTWUOZKBMD-YWZLYKJASA-N 0 0 389.492 4.205 50 30 GIEARN CCOc1cccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccccc3)S2)c1 ZINC000013424111 521393859 /nfs/dbraw/zinc/39/38/59/521393859.db2.gz KUWVLSMHCZTJSK-GLEDVZQVSA-N 0 0 397.500 4.066 50 30 GIEARN CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000022662926 521406577 /nfs/dbraw/zinc/40/65/77/521406577.db2.gz TVLWBJGKMVHTTB-NRFANRHFSA-N 0 0 382.485 4.224 50 30 GIEARN CCOC(=O)c1cc(-c2csc(N=NCc3ccccc3Cl)n2)on1 ZINC000004394617 521426482 /nfs/dbraw/zinc/42/64/82/521426482.db2.gz GSDZLUMHZKOECN-QGMBQPNBSA-N 0 0 376.825 4.074 50 30 GIEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)cc1 ZINC000020058183 521460093 /nfs/dbraw/zinc/46/00/93/521460093.db2.gz RVIWQFOEVIMINK-RGEXLXHISA-N 0 0 387.391 4.468 50 30 GIEARN CCOc1ccccc1N1CCN(C(=S)NCc2ccc(Cl)cc2)CC1 ZINC000013519862 521515962 /nfs/dbraw/zinc/51/59/62/521515962.db2.gz OKLAMPKMWQFJPV-UHFFFAOYSA-N 0 0 389.952 4.347 50 30 GIEARN CCSc1nnc(C)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1 ZINC000036611414 521794992 /nfs/dbraw/zinc/79/49/92/521794992.db2.gz RJMJREAAJZSASK-VXLYETTFSA-N 0 0 376.869 4.406 50 30 GIEARN CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000017078124 522040132 /nfs/dbraw/zinc/04/01/32/522040132.db2.gz HUKUUQJBDHCEPT-WXUSHSQQSA-N 0 0 382.485 4.371 50 30 GIEARN COc1cc(C(=O)/C=C\c2cc(Br)cs2)cc(OC)c1OC ZINC000033474253 522053235 /nfs/dbraw/zinc/05/32/35/522053235.db2.gz MOOQWGDLTVPVQW-PLNGDYQASA-N 0 0 383.263 4.433 50 30 GIEARN COCCn1c(S[C@H](C#N)Cc2ccc(C)cc2)nnc1-c1cccc(C)c1 ZINC000006606956 522074235 /nfs/dbraw/zinc/07/42/35/522074235.db2.gz OHYRPHRVPHQPJN-FQEVSTJZSA-N 0 0 392.528 4.435 50 30 GIEARN COc1ccc(-c2csc(C3=C(N)N(C4CCCCCCC4)CC3=O)n2)cc1 ZINC000096551384 523161909 /nfs/dbraw/zinc/16/19/09/523161909.db2.gz GBSOWRJVKSGVEJ-UHFFFAOYSA-N 0 0 397.544 4.444 50 30 GIEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000239046321 523256588 /nfs/dbraw/zinc/25/65/88/523256588.db2.gz FNMHCCPWPLEDCO-UHFFFAOYSA-N 0 0 378.379 4.143 50 30 GIEARN CCn1cc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182637 523310063 /nfs/dbraw/zinc/31/00/63/523310063.db2.gz CQKMWLXTZSCKPC-AFPJDJCSSA-N 0 0 391.423 4.254 50 30 GIEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1Br ZINC000007058227 523402864 /nfs/dbraw/zinc/40/28/64/523402864.db2.gz OUSMGLSRFFNNRE-QPJJXVBHSA-N 0 0 377.234 4.371 50 30 GIEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000096562456 523418306 /nfs/dbraw/zinc/41/83/06/523418306.db2.gz OEEFONJJIKCDCM-LICLKQGHSA-N 0 0 389.411 4.061 50 30 GIEARN COc1ccc(C(=O)/C=C\c2cc(O)c(OC)cc2Br)cc1F ZINC000096861782 523544969 /nfs/dbraw/zinc/54/49/69/523544969.db2.gz JQFWDJPWQHOSQY-HYXAFXHYSA-N 0 0 381.197 4.207 50 30 GIEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000033380247 523607274 /nfs/dbraw/zinc/60/72/74/523607274.db2.gz ZSQAYGRPPVGMCI-JCAVJTNVSA-N 0 0 385.464 4.078 50 30 GIEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102862688 523791825 /nfs/dbraw/zinc/79/18/25/523791825.db2.gz FARLBYTXFWXWTA-YDJIHCHBSA-N 0 0 393.483 4.052 50 30 GIEARN COCCNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000021356070 523904241 /nfs/dbraw/zinc/90/42/41/523904241.db2.gz LXGAGCQBPKOBFA-FQEVSTJZSA-N 0 0 397.500 4.084 50 30 GIEARN COc1ccc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000057523300 524129659 /nfs/dbraw/zinc/12/96/59/524129659.db2.gz FCQQHUKCSSGXLC-ZDUSSCGKSA-N 0 0 378.350 4.044 50 30 GIEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000016449135 534781366 /nfs/dbraw/zinc/78/13/66/534781366.db2.gz XAQJFNLOSFOUJQ-LIDPDAEMSA-N 0 0 375.793 4.289 50 30 GIEARN Cc1ccc(C[C@@H]2S/C(=N/c3ccc(Br)cc3)NC2=O)cc1 ZINC000013583181 524668485 /nfs/dbraw/zinc/66/84/85/524668485.db2.gz UNECMZKCHQMYMT-HNNXBMFYSA-N 0 0 375.291 4.219 50 30 GIEARN COc1ccc(NS(=O)(=O)c2ccc(C(=O)/C=C\c3ccsc3)cc2)cc1 ZINC000096765413 524689715 /nfs/dbraw/zinc/68/97/15/524689715.db2.gz PPSQERASOUWYIO-FUQNDXKWSA-N 0 0 399.493 4.454 50 30 GIEARN COc1ccc(OC)c(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000057525262 524838599 /nfs/dbraw/zinc/83/85/99/524838599.db2.gz PIMGNAUQYQQLGO-ZDUSSCGKSA-N 0 0 378.350 4.044 50 30 GIEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000002625283 524897444 /nfs/dbraw/zinc/89/74/44/524897444.db2.gz OXLONLFSHYCVIH-UHFFFAOYSA-N 0 0 384.486 4.146 50 30 GIEARN Cc1ccccc1CN1CCN(/C=C/C(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000020028621 525139715 /nfs/dbraw/zinc/13/97/15/525139715.db2.gz IWGRGNPEQIPHRM-ZHACJKMWSA-N 0 0 386.442 4.111 50 30 GIEARN Cc1ccccc1NC(=NOCc1ccc(Cl)cc1Cl)c1nonc1N ZINC000013286594 525218939 /nfs/dbraw/zinc/21/89/39/525218939.db2.gz MXSNYIQUCKGAIC-UHFFFAOYSA-N 0 0 392.246 4.258 50 30 GIEARN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)cc1 ZINC000018125449 525230386 /nfs/dbraw/zinc/23/03/86/525230386.db2.gz JKYPCCUTKXJTPG-QFIPXVFZSA-N 0 0 388.467 4.307 50 30 GIEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3C)c(OC)c1OC ZINC000095117718 525230672 /nfs/dbraw/zinc/23/06/72/525230672.db2.gz YIJNTIMMHJGOEY-KGLIPLIRSA-N 0 0 394.471 4.339 50 30 GIEARN Cc1ccccc1S(=O)(=O)N=C(NCc1ccc(F)cc1)c1ccccc1 ZINC000005018349 525324959 /nfs/dbraw/zinc/32/49/59/525324959.db2.gz JGACODNPPGVORG-UHFFFAOYSA-N 0 0 382.460 4.059 50 30 GIEARN COc1ccc([C@H](C/N=C/c2c(O)ccc3ccccc32)N2CCOCC2)cc1 ZINC000006649124 525342718 /nfs/dbraw/zinc/34/27/18/525342718.db2.gz BXYHKQYJYRKYNT-AJPHYDNBSA-N 0 0 390.483 4.046 50 30 GIEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)O/C(=C\c2cccnc2)C4=O)cc1 ZINC000217994929 525405321 /nfs/dbraw/zinc/40/53/21/525405321.db2.gz QBLWIUDOMVUYBN-HDOAHBKWSA-N 0 0 399.402 4.147 50 30 GIEARN O=C1c2ccc3c(c2O/C1=C\c1ccncc1)CN(c1ccc(F)c(F)c1)CO3 ZINC000013688945 534849406 /nfs/dbraw/zinc/84/94/06/534849406.db2.gz XYOMCGARLALNLX-UKWGHVSLSA-N 0 0 392.361 4.333 50 30 GIEARN Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccccc3)nc12 ZINC000001464430 525458070 /nfs/dbraw/zinc/45/80/70/525458070.db2.gz HEGWSIYSSPRFDR-KOEQRZSOSA-N 0 0 382.467 4.234 50 30 GIEARN Cc1ccc(C(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)Nc2ccccc2)cc1 ZINC000017729321 525942439 /nfs/dbraw/zinc/94/24/39/525942439.db2.gz KLQSWINCHCQIRY-UHFFFAOYSA-N 0 0 395.440 4.151 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000102801922 525982401 /nfs/dbraw/zinc/98/24/01/525982401.db2.gz SZNVGPGSHYYPOI-HVESIFNPSA-N 0 0 376.437 4.078 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 ZINC000013127762 526027010 /nfs/dbraw/zinc/02/70/10/526027010.db2.gz ZEJPIYGSIWOLIQ-GOSISDBHSA-N 0 0 379.437 4.428 50 30 GIEARN CSc1nnc(C)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000036611466 526226695 /nfs/dbraw/zinc/22/66/95/526226695.db2.gz PSVSJAIYGJJJMP-UFWORHAWSA-N 0 0 380.832 4.155 50 30 GIEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2C)o1 ZINC000002792488 526227094 /nfs/dbraw/zinc/22/70/94/526227094.db2.gz VLSPQHPADJQKQV-AWQFTUOYSA-N 0 0 378.404 4.300 50 30 GIEARN Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3C)o2)cc(C)c1Cl ZINC000036611334 526377116 /nfs/dbraw/zinc/37/71/16/526377116.db2.gz BKHGKTWULKUKNA-UFWORHAWSA-N 0 0 376.869 4.200 50 30 GIEARN O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1cccs1 ZINC000004282557 526438291 /nfs/dbraw/zinc/43/82/91/526438291.db2.gz UTKCNOYBWOKFHL-DEDYPNTBSA-N 0 0 387.530 4.098 50 30 GIEARN Cc1noc(-c2ccc(Cl)cc2)c1C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004394460 526450275 /nfs/dbraw/zinc/45/02/75/526450275.db2.gz RYZQXRJDSAQDSK-UHFFFAOYSA-N 0 0 390.226 4.434 50 30 GIEARN C=CCNC(=O)Cc1csc(SCc2ccc(Br)cc2)n1 ZINC000008854525 526577365 /nfs/dbraw/zinc/57/73/65/526577365.db2.gz TVUIQAYXENYAJN-UHFFFAOYSA-N 0 0 383.336 4.043 50 30 GIEARN Clc1ccc(CN2CCN(/N=C/c3ccc(Br)s3)CC2)cc1 ZINC000019791100 526945638 /nfs/dbraw/zinc/94/56/38/526945638.db2.gz VODDMAZZKKYCHC-YBFXNURJSA-N 0 0 398.757 4.316 50 30 GIEARN O=C(CSc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1 ZINC000005483857 527032102 /nfs/dbraw/zinc/03/21/02/527032102.db2.gz DFIHSQMIFYSHEL-UDWIEESQSA-N 0 0 396.428 4.365 50 30 GIEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000015013654 527043787 /nfs/dbraw/zinc/04/37/87/527043787.db2.gz RFWZHEGAMPDOCT-LDADJPATSA-N 0 0 379.416 4.214 50 30 GIEARN O=S(=O)(N=C(Nc1ccc(O)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012378361 527159622 /nfs/dbraw/zinc/15/96/22/527159622.db2.gz VLWJYMIVJUMZCM-UHFFFAOYSA-N 0 0 386.860 4.293 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccccc1OC ZINC000002454376 527337256 /nfs/dbraw/zinc/33/72/56/527337256.db2.gz VMEYAKOBEAELHZ-UHFFFAOYSA-N 0 0 398.463 4.010 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1C1CCCCC1 ZINC000006897060 527337637 /nfs/dbraw/zinc/33/76/37/527337637.db2.gz ABTRWGIBCUATFY-UHFFFAOYSA-N 0 0 386.521 4.251 50 30 GIEARN OC/C=C\C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949819 527505553 /nfs/dbraw/zinc/50/55/53/527505553.db2.gz ATYZUVRSTXBJLR-UPHRSURJSA-N 0 0 376.112 4.274 50 30 GIEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(Nc2ncccn2)c1 ZINC000024861851 527546636 /nfs/dbraw/zinc/54/66/36/527546636.db2.gz 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ZINC000046129951 570211407 /nfs/dbraw/zinc/21/14/07/570211407.db2.gz JSOXNSJLSUANAK-MRXNPFEDSA-N 0 0 389.858 4.164 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2CC)cc1 ZINC000046131206 570211972 /nfs/dbraw/zinc/21/19/72/570211972.db2.gz PMFHERMAIKWXLJ-FQEVSTJZSA-N 0 0 395.503 4.025 50 30 GIEARN C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000006064873 570232867 /nfs/dbraw/zinc/23/28/67/570232867.db2.gz JSRVRNGXEVAQGM-WMADIVHISA-N 0 0 389.238 4.449 50 30 GIEARN C=CCNc1nc2nc(N)c(C#N)c(-c3ccc(Br)cc3)c2s1 ZINC000053277587 570252708 /nfs/dbraw/zinc/25/27/08/570252708.db2.gz LPONNEWNGJWAAB-UHFFFAOYSA-N 0 0 386.278 4.173 50 30 GIEARN Cc1cc(Cl)ccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 ZINC000001168906 570252920 /nfs/dbraw/zinc/25/29/20/570252920.db2.gz INOOJRAAJYWQCZ-BHGWPJFGSA-N 0 0 379.851 4.156 50 30 GIEARN Cc1nc(NC(N)=NC(=O)Nc2ccc(Cl)cc2)sc1Br ZINC000020421224 570255363 /nfs/dbraw/zinc/25/53/63/570255363.db2.gz IDYKXVPPFFXIME-UHFFFAOYSA-N 0 0 388.678 4.240 50 30 GIEARN CCc1ccc(NC(=NCc2cccnc2)NC(=O)c2ccc(C)c(C)c2)cc1 ZINC000015828107 570268099 /nfs/dbraw/zinc/26/80/99/570268099.db2.gz AUVQYCOOHNNUBR-UHFFFAOYSA-N 0 0 386.499 4.468 50 30 GIEARN CCCCCCCCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000002178729 570277301 /nfs/dbraw/zinc/27/73/01/570277301.db2.gz CLEROFHJUNEIIF-UHFFFAOYSA-N 0 0 388.533 4.025 50 30 GIEARN CCOC(=O)c1c(NC=C2C(=O)c3ccccc3C2=O)sc2c1CCCC2 ZINC000100936977 570279537 /nfs/dbraw/zinc/27/95/37/570279537.db2.gz IKDHROKBNBNJQY-UHFFFAOYSA-N 0 0 381.453 4.179 50 30 GIEARN C=CCN(CC=C)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)c(Cl)c2C)cc1 ZINC000023323090 570281126 /nfs/dbraw/zinc/28/11/26/570281126.db2.gz OEVMKVWUJAEACX-UHFFFAOYSA-N 0 0 397.866 4.007 50 30 GIEARN Cc1cc(C)nc(N=C(NC(=O)c2ccc(Cl)cc2)Nc2ccccc2)n1 ZINC000002318084 570282454 /nfs/dbraw/zinc/28/24/54/570282454.db2.gz GJFARTIKXIYYEC-UHFFFAOYSA-N 0 0 379.851 4.276 50 30 GIEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)nc1C ZINC000027581320 570308508 /nfs/dbraw/zinc/30/85/08/570308508.db2.gz 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CCc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1 ZINC000006819570 570495386 /nfs/dbraw/zinc/49/53/86/570495386.db2.gz CUQAOGZOLKHPLO-AZUAARDMSA-N 0 0 375.468 4.262 50 30 GIEARN CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000003077616 570502384 /nfs/dbraw/zinc/50/23/84/570502384.db2.gz OHABNZYBAWAVSW-SSZFMOIBSA-N 0 0 392.546 4.288 50 30 GIEARN N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000006634585 570512839 /nfs/dbraw/zinc/51/28/39/570512839.db2.gz SPNQOCNCGDGYTQ-UHFFFAOYSA-N 0 0 395.806 4.278 50 30 GIEARN C[C@@H](ON=C(N)c1ccsc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000072305376 570517995 /nfs/dbraw/zinc/51/79/95/570517995.db2.gz GQCYMMHLXKUXRY-SECBINFHSA-N 0 0 382.367 4.215 50 30 GIEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CCn3c4ccccc4sc3=O)sc2C1 ZINC000006661741 570525177 /nfs/dbraw/zinc/52/51/77/570525177.db2.gz MDIKJBZPMMKVLN-GFCCVEGCSA-N 0 0 397.525 4.150 50 30 GIEARN C=CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S ZINC000002993546 570526953 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C=CCSc1nnc2c(n1)O[C@@H](c1cccc(OC)c1)Nc1ccccc1-2 ZINC000004755082 212079423 /nfs/dbraw/zinc/07/94/23/212079423.db2.gz AMNXXCLNVPOTHP-SFHVURJKSA-N 0 0 378.457 4.328 50 30 GIEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000003098459 220603775 /nfs/dbraw/zinc/60/37/75/220603775.db2.gz TUPJSKAHXISOSB-HXUWFJFHSA-N 0 0 396.443 4.049 50 30 GIEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000003183083 220608943 /nfs/dbraw/zinc/60/89/43/220608943.db2.gz WOGLDHUIKQNCHH-UHFFFAOYSA-N 0 0 378.403 4.375 50 30 GIEARN CCCCC[C@@H](CC)N(CNC(=O)CC)c1nc2ccccc2nc1CC#N ZINC000003197458 220609267 /nfs/dbraw/zinc/60/92/67/220609267.db2.gz VDIMCKVRZIIMGE-QGZVFWFLSA-N 0 0 381.524 4.345 50 30 GIEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(O)cc2)C1 ZINC000004199861 220693793 /nfs/dbraw/zinc/69/37/93/220693793.db2.gz XUDJVUOPGHUYDI-FQEVSTJZSA-N 0 0 386.455 4.309 50 30 GIEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12 ZINC000004385545 220713687 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50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000005578605 220884733 /nfs/dbraw/zinc/88/47/33/220884733.db2.gz PJPJZUAYAKBBTQ-GOSISDBHSA-N 0 0 383.831 4.113 50 30 GIEARN c1ccc(Nc2nc(N=NCc3ccccn3)nc(Nc3ccccc3)n2)cc1 ZINC000005741134 220896281 /nfs/dbraw/zinc/89/62/81/220896281.db2.gz HYIOHJVVNHQAGK-HZHRSRAPSA-N 0 0 382.431 4.200 50 30 GIEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1nc(Cl)c(Cl)cc1Cl ZINC000006597987 220944643 /nfs/dbraw/zinc/94/46/43/220944643.db2.gz HRDLDPBDHDBUQP-UHFFFAOYSA-N 0 0 386.582 4.368 50 30 GIEARN CCn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccccc1 ZINC000006634628 220946207 /nfs/dbraw/zinc/94/62/07/220946207.db2.gz YJLIHBPQHAVOGK-UHFFFAOYSA-N 0 0 397.891 4.221 50 30 GIEARN COc1ccc(-c2nc3n(n2)[C@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)cc1 ZINC000006732462 220955047 /nfs/dbraw/zinc/95/50/47/220955047.db2.gz IXAZQWVXRNWFJK-HXUWFJFHSA-N 0 0 390.418 4.115 50 30 GIEARN CC(=O)Nc1cccc(C(=O)/C=C/c2cc3c(cc2Br)OCO3)c1 ZINC000007744160 221008913 /nfs/dbraw/zinc/00/89/13/221008913.db2.gz RXYWLSRLANSTBD-AATRIKPKSA-N 0 0 388.217 4.032 50 30 GIEARN Cc1ccc([C@]2(c3ccccc3)NC(=O)N(Cc3cccc(C#N)c3)C2=O)cc1C ZINC000007575923 221002003 /nfs/dbraw/zinc/00/20/03/221002003.db2.gz PSQUQTFRWLEGOD-VWLOTQADSA-N 0 0 395.462 4.171 50 30 GIEARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1C ZINC000007575804 221002248 /nfs/dbraw/zinc/00/22/48/221002248.db2.gz WONWUTYUSVNEFP-RUZDIDTESA-N 0 0 395.462 4.171 50 30 GIEARN N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000008694302 221049867 /nfs/dbraw/zinc/04/98/67/221049867.db2.gz FFAASSAWMDYWJU-UHFFFAOYSA-N 0 0 377.879 4.251 50 30 GIEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)c4c(c3)OCCO4)sc2C1 ZINC000009217506 221074142 /nfs/dbraw/zinc/07/41/42/221074142.db2.gz CTFDURLUTOYPPQ-JTQLQIEISA-N 0 0 388.876 4.421 50 30 GIEARN CC(=NNc1cc(C)nc(NCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000009334307 221077663 /nfs/dbraw/zinc/07/76/63/221077663.db2.gz WRKFUTGCRZAWRB-BUVRLJJBSA-N 0 0 376.420 4.141 50 30 GIEARN COCCCn1c(Sc2ccc(C#N)cn2)nnc1-c1ccccc1Cl ZINC000012522901 221201316 /nfs/dbraw/zinc/20/13/16/221201316.db2.gz ZMHHMHPPWULSBV-UHFFFAOYSA-N 0 0 385.880 4.053 50 30 GIEARN N#Cc1cnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nc1N ZINC000012607202 221214503 /nfs/dbraw/zinc/21/45/03/221214503.db2.gz UMYMODHJEFQPTH-UHFFFAOYSA-N 0 0 393.419 4.365 50 30 GIEARN N#Cc1ccc(CSc2nnc(NC(=O)CSc3ccccc3)s2)cc1 ZINC000012766369 221228156 /nfs/dbraw/zinc/22/81/56/221228156.db2.gz FUBJEQHQTIRFGY-UHFFFAOYSA-N 0 0 398.538 4.433 50 30 GIEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cc3ccc(OC)cc3)c2)c1 ZINC000012932943 221247800 /nfs/dbraw/zinc/24/78/00/221247800.db2.gz YREVGIKANHZAOI-UHFFFAOYSA-N 0 0 399.446 4.063 50 30 GIEARN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC#N ZINC000013915038 221293531 /nfs/dbraw/zinc/29/35/31/221293531.db2.gz ZWHYIYULPOWPBK-SFQUDFHCSA-N 0 0 396.244 4.158 50 30 GIEARN CCOC(=O)c1ccc(C#N)c(SCc2nc(-c3cccs3)oc2C)n1 ZINC000014200246 221303761 /nfs/dbraw/zinc/30/37/61/221303761.db2.gz UPHBEXKIMFSSEW-UHFFFAOYSA-N 0 0 385.470 4.447 50 30 GIEARN COc1cccc(NC2=C(NC3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000015855854 221347729 /nfs/dbraw/zinc/34/77/29/221347729.db2.gz DUMJUTPVKNRXFM-UHFFFAOYSA-N 0 0 376.456 4.320 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccsc1 ZINC000018199330 221390289 /nfs/dbraw/zinc/39/02/89/221390289.db2.gz ZTPUKGCCNLRHBV-KRWDZBQOSA-N 0 0 391.496 4.428 50 30 GIEARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000018195260 221390391 /nfs/dbraw/zinc/39/03/91/221390391.db2.gz OZASPZRQVTUFQZ-OAQYLSRUSA-N 0 0 387.483 4.324 50 30 GIEARN COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2 ZINC000018197243 221390537 /nfs/dbraw/zinc/39/05/37/221390537.db2.gz DJJZSQBZJYOPFA-HXUWFJFHSA-N 0 0 380.400 4.177 50 30 GIEARN COc1ccc2c(c1)nc(SCC(=O)N(C)CCC#N)cc2-c1ccccc1 ZINC000002642628 533311527 /nfs/dbraw/zinc/31/15/27/533311527.db2.gz NACZUKPJEJSJSJ-UHFFFAOYSA-N 0 0 391.496 4.375 50 30 GIEARN N#Cc1c(F)cccc1N1CCN(Cc2ccccc2Oc2cccnc2)CC1 ZINC000058104721 136154439 /nfs/dbraw/zinc/15/44/39/136154439.db2.gz DSXOOWLQTWVIJZ-UHFFFAOYSA-N 0 0 388.446 4.207 50 30 GIEARN N#Cc1ccc(N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c([N+](=O)[O-])c1 ZINC000058160137 136154628 /nfs/dbraw/zinc/15/46/28/136154628.db2.gz LFBSGHBMOUEXGT-OAHLLOKOSA-N 0 0 393.378 4.040 50 30 GIEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000064473544 136156826 /nfs/dbraw/zinc/15/68/26/136156826.db2.gz URFZSNYOJSTTML-UHFFFAOYSA-N 0 0 392.409 4.240 50 30 GIEARN N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCN(c2ccccc2F)CC1 ZINC000096346548 136186668 /nfs/dbraw/zinc/18/66/68/136186668.db2.gz PVZKFLZDANJKRA-ZWKOTPCHSA-N 0 0 388.446 4.283 50 30 GIEARN COc1ccccc1C(=O)C1=C2NC(=O)c3ccccc3N2Cc2ccccc21 ZINC000005811085 136195021 /nfs/dbraw/zinc/19/50/21/136195021.db2.gz IYYDPRWZVSXGPF-UHFFFAOYSA-N 0 0 382.419 4.010 50 30 GIEARN N#Cc1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024924080 221620129 /nfs/dbraw/zinc/62/01/29/221620129.db2.gz FGUPZWGUNNGKSH-MRXNPFEDSA-N 0 0 383.498 4.084 50 30 GIEARN N#Cc1ccc(Oc2ccc(NC(=O)NCCCn3cccn3)cc2Cl)cc1 ZINC000056750848 222025906 /nfs/dbraw/zinc/02/59/06/222025906.db2.gz BKTHMVCUYXTJCD-UHFFFAOYSA-N 0 0 395.850 4.412 50 30 GIEARN Cc1c2c(cc3c1OCN(Cc1ccncc1)C3)C(=O)/C(=C\c1cccs1)O2 ZINC000057172639 222029959 /nfs/dbraw/zinc/02/99/59/222029959.db2.gz UFZUVAUGIWWOCH-VXLYETTFSA-N 0 0 390.464 4.420 50 30 GIEARN COc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccccc2)cc1 ZINC000055439953 222022839 /nfs/dbraw/zinc/02/28/39/222022839.db2.gz FOWLYWQEJKGHDY-IDHKNCDOSA-N 0 0 399.494 4.462 50 30 GIEARN Cc1cccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3)n2)c1 ZINC000065148031 222103660 /nfs/dbraw/zinc/10/36/60/222103660.db2.gz DCJIOXXFQCBJMC-HXUWFJFHSA-N 0 0 397.482 4.420 50 30 GIEARN COc1ccccc1-c1noc(C2CCN(c3oc(C(C)C)nc3C#N)CC2)n1 ZINC000080345317 222307414 /nfs/dbraw/zinc/30/74/14/222307414.db2.gz DOABCHMVUSRLMC-UHFFFAOYSA-N 0 0 393.447 4.112 50 30 GIEARN CSc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 ZINC000101354142 222470993 /nfs/dbraw/zinc/47/09/93/222470993.db2.gz ZQWNFLQYOJIHDX-UHFFFAOYSA-N 0 0 387.464 4.180 50 30 GIEARN COc1ccc(NC(=N)Nc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 ZINC000006275051 533992080 /nfs/dbraw/zinc/99/20/80/533992080.db2.gz KZNYYCFILXWVBB-UHFFFAOYSA-N 0 0 393.394 4.291 50 30 GIEARN CC(=O)c1ccc(NC(=Nc2ccc(F)cc2F)n2sc(C)cc2=N)cc1 ZINC000020343776 518298920 /nfs/dbraw/zinc/29/89/20/518298920.db2.gz PIFPBZMSHRYAKK-UHFFFAOYSA-N 0 0 386.427 4.466 50 30 GIEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000065331288 518327602 /nfs/dbraw/zinc/32/76/02/518327602.db2.gz ZCKIERZHBUCJDI-SFHVURJKSA-N 0 0 377.831 4.012 50 30 GIEARN C#CCSc1nc2ccccc2n1C(=O)/C=C\c1ccc(OC)c(OC)c1 ZINC000033409399 518339480 /nfs/dbraw/zinc/33/94/80/518339480.db2.gz LWVKVHUQXOKDPM-BENRWUELSA-N 0 0 378.453 4.132 50 30 GIEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc2ncsc2c1 ZINC000100910456 518340901 /nfs/dbraw/zinc/34/09/01/518340901.db2.gz ICJWKBUQDAFWFL-UZYVYHOESA-N 0 0 383.885 4.340 50 30 GIEARN C#CCn1c2ccc3ccccc3c2sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100910051 518345000 /nfs/dbraw/zinc/34/50/00/518345000.db2.gz DIKUHTLZCFLWEH-VHXPQNKSSA-N 0 0 384.460 4.433 50 30 GIEARN CC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000024756948 518392801 /nfs/dbraw/zinc/39/28/01/518392801.db2.gz NJMOMEOYCDVWMZ-UHFFFAOYSA-N 0 0 375.449 4.368 50 30 GIEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000001115367 518646175 /nfs/dbraw/zinc/64/61/75/518646175.db2.gz PAVJTIPCYJHRCM-UHFFFAOYSA-N 0 0 393.531 4.495 50 30 GIEARN C=CCN1C(=O)/C(=C\c2c[nH]c3cc(OC)ccc23)S/C1=N\c1nccs1 ZINC000013691649 518829626 /nfs/dbraw/zinc/82/96/26/518829626.db2.gz BDAYZZUDIGKCOC-ZUJMPGSOSA-N 0 0 396.497 4.423 50 30 GIEARN C=CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)C(C(=O)OC)=C1C ZINC000001015596 518834605 /nfs/dbraw/zinc/83/46/05/518834605.db2.gz RZYVLLSLNUZZJU-QNGOZBTKSA-N 0 0 389.451 4.124 50 30 GIEARN C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000020353792 518837354 /nfs/dbraw/zinc/83/73/54/518837354.db2.gz JZEJVPDLRZKZAX-GOSISDBHSA-N 0 0 397.862 4.000 50 30 GIEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000033325179 518896160 /nfs/dbraw/zinc/89/61/60/518896160.db2.gz BHBUFLYTDHWSHQ-UHFFFAOYSA-N 0 0 391.471 4.382 50 30 GIEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC(C)C)cc1 ZINC000034680143 518903697 /nfs/dbraw/zinc/90/36/97/518903697.db2.gz BTPWQSNBFGHJLE-UHFFFAOYSA-N 0 0 393.531 4.212 50 30 GIEARN C=CCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000004413749 518907692 /nfs/dbraw/zinc/90/76/92/518907692.db2.gz ABHPKNJFLHLWRU-UHFFFAOYSA-N 0 0 393.468 4.113 50 30 GIEARN C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3)c(OC)c2)n1 ZINC000034712295 518947615 /nfs/dbraw/zinc/94/76/15/518947615.db2.gz WVOTZURASILKKN-UHFFFAOYSA-N 0 0 380.469 4.314 50 30 GIEARN C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000009220709 519076549 /nfs/dbraw/zinc/07/65/49/519076549.db2.gz IHJHYZDABWTSIH-UHFFFAOYSA-N 0 0 386.517 4.129 50 30 GIEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1C ZINC000002616395 519171398 /nfs/dbraw/zinc/17/13/98/519171398.db2.gz MQARCBCJWPQGGT-UHFFFAOYSA-N 0 0 383.473 4.325 50 30 GIEARN C=CCn1c(Cc2csc(NC(=O)c3cccc(Cl)c3)n2)n[nH]c1=S ZINC000024828769 519194311 /nfs/dbraw/zinc/19/43/11/519194311.db2.gz IFIHHRWXVMFLJS-UHFFFAOYSA-N 0 0 391.909 4.080 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccc(C)c1 ZINC000002334148 519232464 /nfs/dbraw/zinc/23/24/64/519232464.db2.gz CQVATBDXYBUBCT-UHFFFAOYSA-N 0 0 379.485 4.423 50 30 GIEARN CC(=O)Nc1cccc(C(=O)/C=C\c2cc3c(cc2Br)OCO3)c1 ZINC000096766904 519735621 /nfs/dbraw/zinc/73/56/21/519735621.db2.gz RXYWLSRLANSTBD-WAYWQWQTSA-N 0 0 388.217 4.032 50 30 GIEARN CCCCCCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000102256130 520053791 /nfs/dbraw/zinc/05/37/91/520053791.db2.gz QXWGVVCEVNQPPT-UHFFFAOYSA-N 0 0 380.536 4.447 50 30 GIEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC ZINC000101284980 520059617 /nfs/dbraw/zinc/05/96/17/520059617.db2.gz HAZLYGGRGSYKFK-LJQANCHMSA-N 0 0 384.480 4.089 50 30 GIEARN CCN(C(=O)c1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1)c1ccccc1 ZINC000096135657 520087009 /nfs/dbraw/zinc/08/70/09/520087009.db2.gz FLNOEPMNGMZEOA-QGZVFWFLSA-N 0 0 376.460 4.121 50 30 GIEARN CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002373600 520095771 /nfs/dbraw/zinc/09/57/71/520095771.db2.gz SSRUDYZBDPEOFM-KRWDZBQOSA-N 0 0 380.492 4.351 50 30 GIEARN CCCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005712283 520250077 /nfs/dbraw/zinc/25/00/77/520250077.db2.gz JTLJHOWEOXXCOR-XSFVSMFZSA-N 0 0 380.897 4.221 50 30 GIEARN CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000020610670 520417803 /nfs/dbraw/zinc/41/78/03/520417803.db2.gz VFWOMNFDAGZHFY-BKUYFWCQSA-N 0 0 397.471 4.258 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1F ZINC000019901599 520495896 /nfs/dbraw/zinc/49/58/96/520495896.db2.gz ZGALTQPYTIEYRU-LJQANCHMSA-N 0 0 375.415 4.132 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 ZINC000013285526 520496602 /nfs/dbraw/zinc/49/66/02/520496602.db2.gz PACKCFRWFIXBPJ-INIZCTEOSA-N 0 0 396.306 4.042 50 30 GIEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000019314751 520506729 /nfs/dbraw/zinc/50/67/29/520506729.db2.gz JAYGAWBQMHLLTH-FQEVSTJZSA-N 0 0 396.531 4.310 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2CC)SC(=Cc2ccc(O)cc2)C1=O ZINC000036301460 520538411 /nfs/dbraw/zinc/53/84/11/520538411.db2.gz HVFSMQWTUBFEHG-QGOAFFKASA-N 0 0 395.480 4.498 50 30 GIEARN CCOc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1O ZINC000057826258 520621849 /nfs/dbraw/zinc/62/18/49/520621849.db2.gz IVOGVVMJUSGLBZ-GHXNOFRVSA-N 0 0 375.218 4.212 50 30 GIEARN CCOc1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2C)ccc1O ZINC000002847370 520643766 /nfs/dbraw/zinc/64/37/66/520643766.db2.gz UQSGSIALYJORCD-MFKUBSTISA-N 0 0 399.450 4.358 50 30 GIEARN CCOc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)ccc1OCC(N)=O ZINC000000681069 520644176 /nfs/dbraw/zinc/64/41/76/520644176.db2.gz HRTHKNZYIGNNNV-MFKUBSTISA-N 0 0 389.455 4.444 50 30 GIEARN CCCCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000100177465 520699959 /nfs/dbraw/zinc/69/99/59/520699959.db2.gz ROIURROFJBXNOC-HTXNQAPBSA-N 0 0 396.306 4.401 50 30 GIEARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100557256 520825868 /nfs/dbraw/zinc/82/58/68/520825868.db2.gz SDLCLJYAVNBLEA-UTKZUKDTSA-N 0 0 395.499 4.013 50 30 GIEARN CCCCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC ZINC000004810594 520846854 /nfs/dbraw/zinc/84/68/54/520846854.db2.gz QECWRAAMTOMYGI-KRWDZBQOSA-N 0 0 380.872 4.135 50 30 GIEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 ZINC000002776299 521709888 /nfs/dbraw/zinc/70/98/88/521709888.db2.gz MIYNKWDKXBXMJY-LJQANCHMSA-N 0 0 389.492 4.090 50 30 GIEARN CCNC(=O)COc1ccc(/C=C\C(=O)c2ccc(C(C)(C)C)cc2)cc1OC ZINC000033476735 521738519 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CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000020562233 528083187 /nfs/dbraw/zinc/08/31/87/528083187.db2.gz YNBSAHKZYBKPKN-OAQYLSRUSA-N 0 0 383.488 4.393 50 30 GIEARN CCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)SC1=Nc1ccccc1 ZINC000252596991 528943464 /nfs/dbraw/zinc/94/34/64/528943464.db2.gz CNEQSEXMXTVHDZ-VXMHBOQLSA-N 0 0 393.468 4.221 50 30 GIEARN CCc1cccc(NC(=NC(=O)c2cccc(OC)c2)NCc2ccccn2)c1 ZINC000046125963 570209981 /nfs/dbraw/zinc/20/99/81/570209981.db2.gz FKHIDNOZEXSFTF-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN COc1ccc(C)cc1NC(=NC(=O)c1ccc(C)cc1)NCc1cccnc1 ZINC000046128334 570210734 /nfs/dbraw/zinc/21/07/34/570210734.db2.gz YEGOPASVFPPFGP-UHFFFAOYSA-N 0 0 388.471 4.105 50 30 GIEARN CCOc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(CC)c2)cc1 ZINC000046130831 570211665 /nfs/dbraw/zinc/21/16/65/570211665.db2.gz UNMPWILVNGYNRP-OAQYLSRUSA-N 0 0 395.503 4.025 50 30 GIEARN COc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019731629 570211882 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CCc1ccc(N=C(Nc2ccc(C(=O)OC)cc2)n2sc(C)cc2=N)cc1 ZINC000020192087 570246571 /nfs/dbraw/zinc/24/65/71/570246571.db2.gz DYIGMIDQFSQCHM-UHFFFAOYSA-N 0 0 394.500 4.334 50 30 GIEARN CC(O)=C1C(=O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000001181879 570255524 /nfs/dbraw/zinc/25/55/24/570255524.db2.gz BOQIDTZDXVUNQF-MRXNPFEDSA-N 0 0 390.208 4.077 50 30 GIEARN N#Cc1ccc(OCc2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc1 ZINC000071890678 570276212 /nfs/dbraw/zinc/27/62/12/570276212.db2.gz SEAUSQJWVAYNFX-UHFFFAOYSA-N 0 0 387.399 4.381 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000006160841 570278892 /nfs/dbraw/zinc/27/88/92/570278892.db2.gz MKBNFKFHQFAJND-NRFANRHFSA-N 0 0 392.499 4.295 50 30 GIEARN CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)cnc21 ZINC000012900857 570288129 /nfs/dbraw/zinc/28/81/29/570288129.db2.gz DWFVQHFGWBGEAP-UHFFFAOYSA-N 0 0 388.456 4.260 50 30 GIEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]CCc1ccccc1 ZINC000100163148 570312660 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CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436348 570375338 /nfs/dbraw/zinc/37/53/38/570375338.db2.gz PIHUAROAMLWZBA-KRWDZBQOSA-N 0 0 384.505 4.057 50 30 GIEARN CNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2Cl)c1=O ZINC000004667398 570391483 /nfs/dbraw/zinc/39/14/83/570391483.db2.gz ZMFSLVZATMKYDC-RMKNXTFCSA-N 0 0 378.653 4.401 50 30 GIEARN C=CCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002874306 570395147 /nfs/dbraw/zinc/39/51/47/570395147.db2.gz MVVWQIFGLFTBIW-QGZVFWFLSA-N 0 0 393.428 4.228 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccc(C)c1 ZINC000002849301 570395728 /nfs/dbraw/zinc/39/57/28/570395728.db2.gz RSNOALLFQLOKOG-UHFFFAOYSA-N 0 0 378.501 4.479 50 30 GIEARN C=CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccc(O)cc1 ZINC000005023854 570398823 /nfs/dbraw/zinc/39/88/23/570398823.db2.gz QQADXGXBJONJFG-QTBWCZOLSA-N 0 0 381.413 4.090 50 30 GIEARN CCSC1=N/C(=C\c2ccc(OC(C)=O)c(Br)c2)C(=O)S1 ZINC000004755234 570403437 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384.487 4.361 50 30 GIEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000239038709 570428053 /nfs/dbraw/zinc/42/80/53/570428053.db2.gz DSGFJXHFTVQCQA-UHFFFAOYSA-N 0 0 394.243 4.331 50 30 GIEARN O=C([O-])c1ccccc1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000244794520 570433429 /nfs/dbraw/zinc/43/34/29/570433429.db2.gz QOIYEQPBXLIFLD-UHFFFAOYSA-N 0 0 397.478 4.106 50 30 GIEARN Cn1cc(/C=C2/C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)C2=O)cn1 ZINC000253534495 570445300 /nfs/dbraw/zinc/44/53/00/570445300.db2.gz CSBUEGHWYWGGEI-MXYGYLSMSA-N 0 0 380.532 4.306 50 30 GIEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(OCC)cc1 ZINC000011914090 570447286 /nfs/dbraw/zinc/44/72/86/570447286.db2.gz JFCFSTMFSVFXQJ-JOCHJYFZSA-N 0 0 389.455 4.221 50 30 GIEARN CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2nc(C)c(Cl)c2C)c1 ZINC000006490104 570449972 /nfs/dbraw/zinc/44/99/72/570449972.db2.gz VNXWIPCNCKVJFF-SOFGYWHQSA-N 0 0 398.894 4.323 50 30 GIEARN C=CCNC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000156420414 570456789 /nfs/dbraw/zinc/45/67/89/570456789.db2.gz VWFUBXUKMIOZPM-UHFFFAOYSA-N 0 0 394.862 4.002 50 30 GIEARN O=C1C(=CNC2CCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1 ZINC000005164080 570469040 /nfs/dbraw/zinc/46/90/40/570469040.db2.gz YLQWJKDVZDOEBK-CPOBKIPGSA-N 0 0 380.395 4.191 50 30 GIEARN CN(C)c1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000006247542 570473888 /nfs/dbraw/zinc/47/38/88/570473888.db2.gz CTYKOFFXPFZESH-WMODRVCGSA-N 0 0 383.908 4.414 50 30 GIEARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc(C#N)cc3)ccc2O[C@H](CC)C1=O ZINC000035908961 570477040 /nfs/dbraw/zinc/47/70/40/570477040.db2.gz YBLGSXIBIRVUKQ-MGPUTAFESA-N 0 0 391.471 4.109 50 30 GIEARN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000029713387 570478541 /nfs/dbraw/zinc/47/85/41/570478541.db2.gz FHYSSCOTHPGCTN-XJKSGUPXSA-N 0 0 392.409 4.195 50 30 GIEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)cc1 ZINC000006819664 570495473 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GIEARN COC(=O)c1ccc(C=Nc2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000009925880 570562668 /nfs/dbraw/zinc/56/26/68/570562668.db2.gz BNZDJFWYGGHBGC-RGVLZGJSSA-N 0 0 384.233 4.376 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ccco1 ZINC000005408211 570585859 /nfs/dbraw/zinc/58/58/59/570585859.db2.gz BFOVJIGBVCJLAW-SFHVURJKSA-N 0 0 375.428 4.372 50 30 GIEARN C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCCC)CCCCC ZINC000005416848 570588785 /nfs/dbraw/zinc/58/87/85/570588785.db2.gz AZAHSHGIAQOGOI-GOSISDBHSA-N 0 0 393.535 4.336 50 30 GIEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)c1 ZINC000005463471 570602532 /nfs/dbraw/zinc/60/25/32/570602532.db2.gz HIFMXYBSRIDQRB-WSDLNYQXSA-N 0 0 377.473 4.385 50 30 GIEARN N#Cc1c2c(sc1NC(=O)C1=NN(c3ccccc3)C(=O)CC1)CCCCC2 ZINC000005488063 570613845 /nfs/dbraw/zinc/61/38/45/570613845.db2.gz MBIGKVKJUOMEBV-UHFFFAOYSA-N 0 0 392.484 4.010 50 30 GIEARN Cc1nc(SCC(=O)Nc2ccccc2Br)c(C#N)c(C)c1C ZINC000005172673 570659806 /nfs/dbraw/zinc/65/98/06/570659806.db2.gz OVYTYRNHNXXQLC-UHFFFAOYSA-N 0 0 390.306 4.372 50 30 GIEARN O=C1C[C@@H](c2cccs2)CC2=Nc3nonc3N[C@@H](c3cccc(F)c3)C12 ZINC000012409829 570663297 /nfs/dbraw/zinc/66/32/97/570663297.db2.gz NJACRGHMINFQHK-GTNSWQLSSA-N 0 0 382.420 4.250 50 30 GIEARN C=CCn1c(C)nnc1SCc1nc2ccccc2c(C)c1C(=O)OCC ZINC000006910221 570699079 /nfs/dbraw/zinc/69/90/79/570699079.db2.gz GLLMDDQOOQPATG-UHFFFAOYSA-N 0 0 382.489 4.098 50 30 GIEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000005361353 570732492 /nfs/dbraw/zinc/73/24/92/570732492.db2.gz BHYRYJGWJPOMJM-UHFFFAOYSA-N 0 0 375.336 4.326 50 30 GIEARN COc1ccc(CN(C)c2cc(C)c(C#N)c3nc4ccccc4n32)cc1OC ZINC000025251816 570745076 /nfs/dbraw/zinc/74/50/76/570745076.db2.gz ADBQHCJSTNNQDW-UHFFFAOYSA-N 0 0 386.455 4.321 50 30 GIEARN N#Cc1ccc(CN2CCN(Cc3cc4ccccc4nc3Cl)CC2)cc1 ZINC000021843031 570750313 /nfs/dbraw/zinc/75/03/13/570750313.db2.gz GHLAOGDXMIOFPK-UHFFFAOYSA-N 0 0 376.891 4.078 50 30 GIEARN CC(=O)c1ccc(C#CCOC(=O)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000003137747 570754915 /nfs/dbraw/zinc/75/49/15/570754915.db2.gz NHIIRDJEPCEWAY-UHFFFAOYSA-N 0 0 383.347 4.450 50 30 GIEARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)c(C#N)c(C)c1C ZINC000007059706 570775790 /nfs/dbraw/zinc/77/57/90/570775790.db2.gz WXCGIJKYKUFCDW-NSHDSACASA-N 0 0 379.407 4.415 50 30 GIEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005864489 570798991 /nfs/dbraw/zinc/79/89/91/570798991.db2.gz AGFSWDFJVGEBTR-MRXNPFEDSA-N 0 0 393.512 4.249 50 30 GIEARN N#Cc1ccc(NC(=O)c2cccc(I)c2)cc1Cl ZINC000004506316 570819517 /nfs/dbraw/zinc/81/95/17/570819517.db2.gz GMWKBQXZWYXIHY-UHFFFAOYSA-N 0 0 382.588 4.069 50 30 GIEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccs1 ZINC000004511896 570825815 /nfs/dbraw/zinc/82/58/15/570825815.db2.gz DEGGCYUTKZPGBV-UDWIEESQSA-N 0 0 397.412 4.330 50 30 GIEARN CCc1cc2c(nc(SCc3ccccc3C#N)n(CCCOC)c2=O)s1 ZINC000007290332 570827195 /nfs/dbraw/zinc/82/71/95/570827195.db2.gz BTMLWNSJHCBNHM-UHFFFAOYSA-N 0 0 399.541 4.221 50 30 GIEARN COC(=O)/C=C1/S/C(=N/c2ccc(F)c(Cl)c2)N(CCC(C)C)C1=O ZINC000101663888 570828556 /nfs/dbraw/zinc/82/85/56/570828556.db2.gz VMCVVLKBGJWHHX-NOBJWMCXSA-N 0 0 384.860 4.145 50 30 GIEARN N#CCSc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1 ZINC000012523503 570829486 /nfs/dbraw/zinc/82/94/86/570829486.db2.gz KOUXLCKFCNRJLS-UHFFFAOYSA-N 0 0 380.517 4.343 50 30 GIEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc2ccccc2n1-c1ccccc1 ZINC000012537509 570836639 /nfs/dbraw/zinc/83/66/39/570836639.db2.gz VEBSZMUQMRHBLY-NRFANRHFSA-N 0 0 378.501 4.172 50 30 GIEARN C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O ZINC000012539561 570838502 /nfs/dbraw/zinc/83/85/02/570838502.db2.gz YSJPSJAWFNACRO-LJQANCHMSA-N 0 0 389.499 4.234 50 30 GIEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(OC)cc2)C1=O ZINC000004696116 570841296 /nfs/dbraw/zinc/84/12/96/570841296.db2.gz DYQLQTMMVDHXKV-ATVHPVEESA-N 0 0 399.443 4.378 50 30 GIEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccccc1 ZINC000044085743 570862499 /nfs/dbraw/zinc/86/24/99/570862499.db2.gz HUGYDEQIIQXHPA-UHFFFAOYSA-N 0 0 394.456 4.375 50 30 GIEARN C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc2c(s1)CC[C@@H](CC)C2 ZINC000003413848 570865614 /nfs/dbraw/zinc/86/56/14/570865614.db2.gz KPLJRAWCNXJELZ-IUODEOHRSA-N 0 0 389.546 4.115 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1cccc(C)c1 ZINC000170615229 570873824 /nfs/dbraw/zinc/87/38/24/570873824.db2.gz IBJWFGBPTCFLQP-GMAHTHKFSA-N 0 0 394.467 4.332 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccccc2OC)C[C@@H]1c1ccccc1OC ZINC000170618123 570875507 /nfs/dbraw/zinc/87/55/07/570875507.db2.gz GIQCVMVVYQZDKU-GCJKJVERSA-N 0 0 380.440 4.023 50 30 GIEARN Cc1nc(-c2ccc(C(=O)N(C)[C@H](C)c3ccncn3)cc2)c(C#N)c(C)c1C ZINC000584886951 570887437 /nfs/dbraw/zinc/88/74/37/570887437.db2.gz YUVVLYWKNKJRRG-QGZVFWFLSA-N 0 0 385.471 4.169 50 30 GIEARN COc1ccc2c(c1)N(C)/C(=C1\S/C(=N/Cc3ccccc3)N(C)C1=O)S2 ZINC000103861226 570889342 /nfs/dbraw/zinc/88/93/42/570889342.db2.gz YELZBWJBIWSDCS-SWEJTURSSA-N 0 0 397.525 4.168 50 30 GIEARN O=S(=O)(N=C(Nc1cccc(O)c1)c1ccccc1)c1ccc(Cl)cc1 ZINC000015659994 570900979 /nfs/dbraw/zinc/90/09/79/570900979.db2.gz ZGAUZPRNZZRYNA-UHFFFAOYSA-N 0 0 386.860 4.293 50 30 GIEARN N#CCCn1ccc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)n1 ZINC000097164710 570901777 /nfs/dbraw/zinc/90/17/77/570901777.db2.gz UFAUJGNCTCSBGL-OAQYLSRUSA-N 0 0 385.471 4.171 50 30 GIEARN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(OC4CCCC4)c3)CC2)nc1 ZINC000023100756 570903962 /nfs/dbraw/zinc/90/39/62/570903962.db2.gz KLXSDKFEDYGCEL-UHFFFAOYSA-N 0 0 390.487 4.130 50 30 GIEARN Cc1ccc(S(=O)(=O)N=C(NCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000015919346 570908379 /nfs/dbraw/zinc/90/83/79/570908379.db2.gz LXYGNDSLCCEQQZ-UHFFFAOYSA-N 0 0 382.460 4.059 50 30 GIEARN CC(=O)Nc1ncc(-c2ccc(Oc3ccc(C#N)cc3[N+](=O)[O-])cc2)s1 ZINC000032916235 570927393 /nfs/dbraw/zinc/92/73/93/570927393.db2.gz YWHIQWYOSFZIQC-UHFFFAOYSA-N 0 0 380.385 4.341 50 30 GIEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccccc2)cc1 ZINC000016737372 570932235 /nfs/dbraw/zinc/93/22/35/570932235.db2.gz LIPQONRABLNMNY-FQEVSTJZSA-N 0 0 375.424 4.016 50 30 GIEARN N#CC1(NC(=O)CSc2nnc(Nc3ccccc3)s2)CCCCCC1 ZINC000012646068 570934288 /nfs/dbraw/zinc/93/42/88/570934288.db2.gz IXGHVOIYGGZTTD-UHFFFAOYSA-N 0 0 387.534 4.107 50 30 GIEARN CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000001401187 570981991 /nfs/dbraw/zinc/98/19/91/570981991.db2.gz FYDNEGZPIGZJST-PGMHBOJBSA-N 0 0 397.645 4.461 50 30 GIEARN Cn1c2ccccc2c(C#N)c1CN(C(=O)CN1CCCCC1)c1ccccc1 ZINC000004182534 570982986 /nfs/dbraw/zinc/98/29/86/570982986.db2.gz XQIBWAFCTDKMNI-UHFFFAOYSA-N 0 0 386.499 4.069 50 30 GIEARN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)Cc1ccc(C#N)cc1 ZINC000170651068 570986521 /nfs/dbraw/zinc/98/65/21/570986521.db2.gz CZDVZRFGPXYLSH-AREMUKBSSA-N 0 0 383.904 4.214 50 30 GIEARN Cc1c(C#N)c2nc3ccccc3n2c(NCCCCO)c1Cc1ccccc1 ZINC000004786394 570989850 /nfs/dbraw/zinc/98/98/50/570989850.db2.gz NBRKLBNASLWKMZ-UHFFFAOYSA-N 0 0 384.483 4.443 50 30 GIEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nccc(C(F)(F)F)n2)c1 ZINC000012747645 570992055 /nfs/dbraw/zinc/99/20/55/570992055.db2.gz HXENPONYNWIAAZ-UHFFFAOYSA-N 0 0 394.422 4.151 50 30 GIEARN CCOc1cc(C#N)cc(I)c1OCc1ccccc1F ZINC000004813632 570997770 /nfs/dbraw/zinc/99/77/70/570997770.db2.gz FOTYQOUDDRFORT-UHFFFAOYSA-N 0 0 397.187 4.280 50 30 GIEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCc2ccncc2)c1 ZINC000045939385 571000915 /nfs/dbraw/zinc/00/09/15/571000915.db2.gz NQNOXHJEAMFPBX-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN Cc1cc(Cl)ccc1NC(=NCc1ccncc1)NC(=O)c1ccccc1 ZINC000045940017 571001295 /nfs/dbraw/zinc/00/12/95/571001295.db2.gz HMYSAWIJTSOIKX-UHFFFAOYSA-N 0 0 378.863 4.251 50 30 GIEARN CCOc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2CC)cc1 ZINC000252608868 571009115 /nfs/dbraw/zinc/00/91/15/571009115.db2.gz HOLKFDWHQNCIKH-ZSNHWOOMSA-N 0 0 396.468 4.438 50 30 GIEARN CCc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(OC)c2)cc1 ZINC000046125470 571023970 /nfs/dbraw/zinc/02/39/70/571023970.db2.gz FTZKNCXLAMEPAJ-UHFFFAOYSA-N 0 0 388.471 4.051 50 30 GIEARN CCCCOc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000252622416 571033931 /nfs/dbraw/zinc/03/39/31/571033931.db2.gz NUVVZIXMGZWVDB-UHFFFAOYSA-N 0 0 382.485 4.331 50 30 GIEARN COc1ccc(C=Nn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC ZINC000252625021 571038748 /nfs/dbraw/zinc/03/87/48/571038748.db2.gz QBDMRWZTXQOYJR-UHFFFAOYSA-N 0 0 391.452 4.024 50 30 GIEARN Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccccc3C)o2)cc1 ZINC000004538878 571042243 /nfs/dbraw/zinc/04/22/43/571042243.db2.gz RYFJBADFCZXNQD-UHFFFAOYSA-N 0 0 378.453 4.306 50 30 GIEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1 ZINC000004700729 571042393 /nfs/dbraw/zinc/04/23/93/571042393.db2.gz RDNLAHODIHORRL-UHFFFAOYSA-N 0 0 390.940 4.326 50 30 GIEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl ZINC000002267069 817381854 /nfs/dbraw/zinc/38/18/54/817381854.db2.gz AHHIRNSMRRXJDE-HNNXBMFYSA-N 0 0 396.270 4.094 50 30 GIEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl ZINC000002267068 817381908 /nfs/dbraw/zinc/38/19/08/817381908.db2.gz AHHIRNSMRRXJDE-OAHLLOKOSA-N 0 0 396.270 4.094 50 30 GIEARN N#Cc1c2nc3ccccc3nc2n(-c2ccccc2)c1NC(=O)c1ccco1 ZINC000002280056 817382257 /nfs/dbraw/zinc/38/22/57/817382257.db2.gz RWFRDJLMGIFCOA-UHFFFAOYSA-N 0 0 379.379 4.291 50 30 GIEARN CCc1nc(SCCCn2c3ccccc3[nH]c2=O)c(C#N)c2c1CCCC2 ZINC000002269994 817382341 /nfs/dbraw/zinc/38/23/41/817382341.db2.gz ZEMOWQPMOPDCAX-UHFFFAOYSA-N 0 0 392.528 4.220 50 30 GIEARN C[C@H](NC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000002370422 817386057 /nfs/dbraw/zinc/38/60/57/817386057.db2.gz JHAUZUIBRFOYAR-HKUYNNGSSA-N 0 0 399.498 4.105 50 30 GIEARN N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1 ZINC000002665095 817397656 /nfs/dbraw/zinc/39/76/56/817397656.db2.gz HHEXOWMSXNRQNF-UHFFFAOYSA-N 0 0 397.390 4.162 50 30 GIEARN COCc1cc(C)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N ZINC000002879059 817404160 /nfs/dbraw/zinc/40/41/60/817404160.db2.gz XPZAZTZLHPHCJK-UHFFFAOYSA-N 0 0 396.299 4.446 50 30 GIEARN COc1cc(C#N)cc(Cl)c1OCc1cccc(I)c1 ZINC000002876326 817404187 /nfs/dbraw/zinc/40/41/87/817404187.db2.gz BRAQIVZHQUVCEH-UHFFFAOYSA-N 0 0 399.615 4.404 50 30 GIEARN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 ZINC000002916787 817405496 /nfs/dbraw/zinc/40/54/96/817405496.db2.gz BMSCWYQZMDXLMY-HXUWFJFHSA-N 0 0 375.428 4.063 50 30 GIEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000003129896 817418406 /nfs/dbraw/zinc/41/84/06/817418406.db2.gz FOSDDCZISGKMLB-OLGPUJBVSA-N 0 0 391.254 4.384 50 30 GIEARN Cc1cccc(N2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1 ZINC000003176706 817419835 /nfs/dbraw/zinc/41/98/35/817419835.db2.gz SRTQJUIBAIXATN-UHFFFAOYSA-N 0 0 381.888 4.489 50 30 GIEARN Cc1cc2c(C#N)c3n(Cc4ccccc4)c4ccccc4n3c(=O)c2c(C)n1 ZINC000003192119 817421168 /nfs/dbraw/zinc/42/11/68/817421168.db2.gz DGTUIINNRZERHW-UHFFFAOYSA-N 0 0 378.435 4.339 50 30 GIEARN N#Cc1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000003349330 817441329 /nfs/dbraw/zinc/44/13/29/817441329.db2.gz OUAIELCGHLXDAU-UHFFFAOYSA-N 0 0 388.807 4.361 50 30 GIEARN C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003385787 817445889 /nfs/dbraw/zinc/44/58/89/817445889.db2.gz KURBSAVQXZEAMA-UHFFFAOYSA-N 0 0 390.818 4.176 50 30 GIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]21C ZINC000004014902 817497441 /nfs/dbraw/zinc/49/74/41/817497441.db2.gz UQWZWQYTKPEDAK-RMRNXIRCSA-N 0 0 380.484 4.403 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004061028 817500177 /nfs/dbraw/zinc/50/01/77/817500177.db2.gz MQXLSSHNODEDQZ-UNMCSNQZSA-N 0 0 381.447 4.211 50 30 GIEARN CC(C)(C)c1ccc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)cc1 ZINC000004083356 817501829 /nfs/dbraw/zinc/50/18/29/817501829.db2.gz DIDYSNQLZRUMSS-ZVHZXABRSA-N 0 0 394.544 4.185 50 30 GIEARN N#Cc1cnc(SCC(=O)c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F ZINC000004090756 817503316 /nfs/dbraw/zinc/50/33/16/817503316.db2.gz PVRNNAQKLHIRTI-UHFFFAOYSA-N 0 0 391.296 4.361 50 30 GIEARN CCc1ccc(NN=C(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 ZINC000004175452 817508186 /nfs/dbraw/zinc/50/81/86/817508186.db2.gz BKCFTCBDOSQMIE-LFVJCYFKSA-N 0 0 376.441 4.441 50 30 GIEARN COc1ccc2[nH]c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 ZINC000004252317 817513885 /nfs/dbraw/zinc/51/38/85/817513885.db2.gz JPLSNKJYBYFQJI-UHFFFAOYSA-N 0 0 398.513 4.114 50 30 GIEARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000005109467 817551595 /nfs/dbraw/zinc/55/15/95/817551595.db2.gz MYCIIZSJEOFCFU-XYOKQWHBSA-N 0 0 385.419 4.493 50 30 GIEARN N#CCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000006064804 817647808 /nfs/dbraw/zinc/64/78/08/817647808.db2.gz XCOUEMSDRRUYKD-VQHVLOKHSA-N 0 0 389.238 4.107 50 30 GIEARN COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000006307152 817674632 /nfs/dbraw/zinc/67/46/32/817674632.db2.gz DJOUFEFSBDWYAP-FNORWQNLSA-N 0 0 386.835 4.220 50 30 GIEARN CCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C ZINC000007741594 817906397 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O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1ccc(O)cc1 ZINC000004628319 220741033 /nfs/dbraw/zinc/74/10/33/220741033.db2.gz ZRJAFDKDXDDHCH-ZROIWOOFSA-N 0 0 375.247 4.046 50 30 GIEARN CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(N)OC2=C1C(=O)CCC2 ZINC000004655597 220742483 /nfs/dbraw/zinc/74/24/83/220742483.db2.gz WIUGTCUKXJBYKW-IBGZPJMESA-N 0 0 399.487 4.108 50 30 GIEARN Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2OC(=O)N2CCOCC2)cc1 ZINC000004898952 220786899 /nfs/dbraw/zinc/78/68/99/220786899.db2.gz GRPDNBSICBFWCU-SOFGYWHQSA-N 0 0 385.847 4.376 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1cccc(F)c1 ZINC000004919792 220792329 /nfs/dbraw/zinc/79/23/29/220792329.db2.gz HTODJKLWUQUWLA-AVRDEDQJSA-N 0 0 398.430 4.162 50 30 GIEARN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004981881 220805165 /nfs/dbraw/zinc/80/51/65/220805165.db2.gz ZUTFIJGDYNTIQS-CMDGGOBGSA-N 0 0 377.194 4.174 50 30 GIEARN CC(=O)c1ccc(NC2=C(I)C(=O)CC(C)(C)C2)cc1 ZINC000005186825 220841375 /nfs/dbraw/zinc/84/13/75/220841375.db2.gz 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CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000007989135 221021723 /nfs/dbraw/zinc/02/17/23/221021723.db2.gz FYQJIMQXROQJFE-MDWZMJQESA-N 0 0 377.893 4.267 50 30 GIEARN C=CCN1c2ccc(NC(=O)c3cc(C)cc(C)c3)cc2OCC(C)(C)C1=O ZINC000008958753 221065357 /nfs/dbraw/zinc/06/53/57/221065357.db2.gz LDMYAGOPEUGRMI-UHFFFAOYSA-N 0 0 378.472 4.493 50 30 GIEARN C=CCN1c2cc(NC(=O)Cc3cccc(C)c3)ccc2OCC(C)(C)C1=O ZINC000008959593 221065879 /nfs/dbraw/zinc/06/58/79/221065879.db2.gz QIWFYOXDBWWXLT-UHFFFAOYSA-N 0 0 378.472 4.114 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000008465754 221041945 /nfs/dbraw/zinc/04/19/45/221041945.db2.gz YJCMCNCTESFGPL-FQEVSTJZSA-N 0 0 389.382 4.314 50 30 GIEARN CC(=O)C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1 ZINC000008715650 221051950 /nfs/dbraw/zinc/05/19/50/221051950.db2.gz FUFSXUCGFBRTGY-INIZCTEOSA-N 0 0 378.266 4.066 50 30 GIEARN CCC(=O)NC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccc(F)cc2)N1 ZINC000009087489 221069810 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CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCc1ccccc1C#N ZINC000012796623 221233883 /nfs/dbraw/zinc/23/38/83/221233883.db2.gz XVQBVPBOTVPANF-UHFFFAOYSA-N 0 0 379.441 4.386 50 30 GIEARN CSc1nc(C2CC2)cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)c1C#N ZINC000012821281 221237403 /nfs/dbraw/zinc/23/74/03/221237403.db2.gz OMXGXJADZSZFIZ-UHFFFAOYSA-N 0 0 395.528 4.320 50 30 GIEARN Cc1cc(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O ZINC000013125982 221262052 /nfs/dbraw/zinc/26/20/52/221262052.db2.gz IMMAZFNKAKCEFY-UDWIEESQSA-N 0 0 375.266 4.050 50 30 GIEARN C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000014187729 221301997 /nfs/dbraw/zinc/30/19/97/221301997.db2.gz CIKLZIBXEBNWKT-DEOSSOPVSA-N 0 0 381.435 4.192 50 30 GIEARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868287 221350811 /nfs/dbraw/zinc/35/08/11/221350811.db2.gz QFKMDFREWOGULU-MRXNPFEDSA-N 0 0 399.479 4.445 50 30 GIEARN Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000017370092 221383894 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N#Cc1c(N)nc(-c2cc(F)cc(C(F)(F)F)c2)cc1-c1ccc(O)c(O)c1 ZINC000071714828 222187093 /nfs/dbraw/zinc/18/70/93/222187093.db2.gz UKPNGEMLGDUDJM-UHFFFAOYSA-N 0 0 389.308 4.439 50 30 GIEARN CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(CC)nc1 ZINC000071765541 222195140 /nfs/dbraw/zinc/19/51/40/222195140.db2.gz KWOYMPJZBIXXFX-CQSZACIVSA-N 0 0 379.508 4.180 50 30 GIEARN CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnc(CC)nc1 ZINC000071765542 222195733 /nfs/dbraw/zinc/19/57/33/222195733.db2.gz KWOYMPJZBIXXFX-AWEZNQCLSA-N 0 0 379.508 4.180 50 30 GIEARN N#Cc1cnn2c1[nH]c(CSc1ccc(Cl)c(C(F)(F)F)c1)cc2=O ZINC000084350999 222313799 /nfs/dbraw/zinc/31/37/99/222313799.db2.gz IIRJEBGDDOLURO-UHFFFAOYSA-N 0 0 384.770 4.271 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000097104936 222438391 /nfs/dbraw/zinc/43/83/91/222438391.db2.gz HCFQXICDECPPPX-FYYLOGMGSA-N 0 0 393.483 4.081 50 30 GIEARN C#CCOc1ccc([C@H]2CC(=O)Nc3nc(N4CCCCC4)sc32)cc1OC ZINC000036359845 518330561 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C=CCNC(=S)N=NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000012374200 518822085 /nfs/dbraw/zinc/82/20/85/518822085.db2.gz RTZMCHRNHBRMNE-UUYOSTAYSA-N 0 0 389.908 4.323 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1ccccc1 ZINC000016741389 518836038 /nfs/dbraw/zinc/83/60/38/518836038.db2.gz YKTUXWVCYJXSLX-FQEVSTJZSA-N 0 0 377.440 4.158 50 30 GIEARN C=CCNC(=O)[C@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)c2ccc(F)cc2)C1 ZINC000037546411 518929807 /nfs/dbraw/zinc/92/98/07/518929807.db2.gz NDEVZTMEGXWQAI-FPOVZHCZSA-N 0 0 380.463 4.030 50 30 GIEARN C=CCNC(=S)NCc1c(Cl)cccc1O[C@H]1CCOc2ccccc21 ZINC000004110254 518949918 /nfs/dbraw/zinc/94/99/18/518949918.db2.gz LCVMPBZNBXOELC-IBGZPJMESA-N 0 0 388.920 4.393 50 30 GIEARN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000013546605 519014958 /nfs/dbraw/zinc/01/49/58/519014958.db2.gz MGONLYRRLCKDDT-PDGQHHTCSA-N 0 0 396.424 4.396 50 30 GIEARN C=CCOc1cccc(C(=O)N2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c1 ZINC000012578065 519050933 /nfs/dbraw/zinc/05/09/33/519050933.db2.gz GZEVVLVGKLCARX-HSZRJFAPSA-N 0 0 399.918 4.362 50 30 GIEARN C=CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000019996229 519082694 /nfs/dbraw/zinc/08/26/94/519082694.db2.gz YINCIQSRZABUTQ-UHFFFAOYSA-N 0 0 398.557 4.233 50 30 GIEARN C=CCc1ccccc1OCc1ccc(C(=O)N(C)Cc2ccnn2CC)o1 ZINC000028237813 519147180 /nfs/dbraw/zinc/14/71/80/519147180.db2.gz MTEZCMDNLWTCGB-UHFFFAOYSA-N 0 0 379.460 4.076 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2sc(C)cc2c1=O ZINC000000641577 519213929 /nfs/dbraw/zinc/21/39/29/519213929.db2.gz RPJTXFPUANVJCG-UHFFFAOYSA-N 0 0 399.541 4.300 50 30 GIEARN C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccccc1C ZINC000001113401 519222652 /nfs/dbraw/zinc/22/26/52/519222652.db2.gz KFFUNETWWXTNAC-UHFFFAOYSA-N 0 0 394.500 4.179 50 30 GIEARN C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccco1 ZINC000002181080 519227789 /nfs/dbraw/zinc/22/77/89/519227789.db2.gz RYZIVAHFZIZPBC-UHFFFAOYSA-N 0 0 399.501 4.005 50 30 GIEARN C=CCn1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1ccoc1C ZINC000003504335 519231941 /nfs/dbraw/zinc/23/19/41/519231941.db2.gz BACXNYOUEKPAAQ-UHFFFAOYSA-N 0 0 375.400 4.286 50 30 GIEARN C=CCn1c(SCC(N)=O)nnc1-c1csc(C)c1-c1ccc(C)cc1 ZINC000017078565 519233965 /nfs/dbraw/zinc/23/39/65/519233965.db2.gz ORHSISXHEZTANV-UHFFFAOYSA-N 0 0 384.530 4.054 50 30 GIEARN C=CCn1c(SCc2cccc(C(=O)OC)c2)nnc1-c1ccc(F)cc1 ZINC000004345957 519242267 /nfs/dbraw/zinc/24/22/67/519242267.db2.gz YFRHQAXZNSJULZ-UHFFFAOYSA-N 0 0 383.448 4.349 50 30 GIEARN CC(=O)N1C/C(=C\c2ccc(F)c(F)c2)C(=O)/C(=C\c2ccc(F)c(F)c2)C1 ZINC000069923206 519481095 /nfs/dbraw/zinc/48/10/95/519481095.db2.gz NPZCPUGDZDILKS-NFKAIRTRSA-N 0 0 389.348 4.141 50 30 GIEARN CC(C)NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 ZINC000018114763 519709040 /nfs/dbraw/zinc/70/90/40/519709040.db2.gz PMUGLEFKUOLXNN-JAIQZWGSSA-N 0 0 375.266 4.103 50 30 GIEARN CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000021721941 519734924 /nfs/dbraw/zinc/73/49/24/519734924.db2.gz APOLPDHNHHMFCH-HSZRJFAPSA-N 0 0 393.487 4.032 50 30 GIEARN CCCC(CCC)NC(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000022352850 519884411 /nfs/dbraw/zinc/88/44/11/519884411.db2.gz JPPKGDKPOQIBOX-UHFFFAOYSA-N 0 0 378.476 4.154 50 30 GIEARN CCCCCCCCCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000070670037 520030137 /nfs/dbraw/zinc/03/01/37/520030137.db2.gz RBBZSIFZZRPZPJ-UJWQCDCRSA-N 0 0 386.529 4.150 50 30 GIEARN CCCCCCCCc1nnc(NC(=O)c2ccc3c(c2)OCC(=O)N3)s1 ZINC000102937458 520049853 /nfs/dbraw/zinc/04/98/53/520049853.db2.gz BQKBVKODNHBNLP-UHFFFAOYSA-N 0 0 388.493 4.024 50 30 GIEARN CCCOc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1OC ZINC000096765570 520321013 /nfs/dbraw/zinc/32/10/13/520321013.db2.gz RAHDABXDLXTSPE-YWEYNIOJSA-N 0 0 399.462 4.356 50 30 GIEARN CCOc1cc(/C=C/C(=O)c2ccc(O)cc2)cc(Br)c1OC ZINC000013137364 520618299 /nfs/dbraw/zinc/61/82/99/520618299.db2.gz MWHUSPWVGBWRHP-RUDMXATFSA-N 0 0 377.234 4.458 50 30 GIEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/C=C/c1ccccc1OC)O2 ZINC000020624823 520740507 /nfs/dbraw/zinc/74/05/07/520740507.db2.gz GHDMGQGMVRQTEG-IKLMVFQXSA-N 0 0 379.456 4.415 50 30 GIEARN CCOc1cc2c(cc1/C=C1\S/C(=N\c3cccc(C)c3)NC1=O)OCO2 ZINC000033291739 520789013 /nfs/dbraw/zinc/78/90/13/520789013.db2.gz DFULVTONUADMBR-NVMNQCDNSA-N 0 0 382.441 4.014 50 30 GIEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000020028807 520793542 /nfs/dbraw/zinc/79/35/42/520793542.db2.gz NSJOQMXFJKLICJ-FQEVSTJZSA-N 0 0 384.907 4.320 50 30 GIEARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)c(F)c2)C2=C(CCCC2=O)N1 ZINC000019775018 520819821 /nfs/dbraw/zinc/81/98/21/520819821.db2.gz KYKSDGPJNNCXRH-LJQANCHMSA-N 0 0 375.415 4.132 50 30 GIEARN CCOc1ccc(/C=C2\CN(C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1 ZINC000020470048 520849126 /nfs/dbraw/zinc/84/91/26/520849126.db2.gz WRNMLJCCOUUERQ-OZNQKUEASA-N 0 0 377.484 4.466 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(F)cc2)C[C@@H]1c1c(OC)cccc1OC ZINC000328597037 521089767 /nfs/dbraw/zinc/08/97/67/521089767.db2.gz CRNJMZDKUJREBA-UWJYYQICSA-N 0 0 398.430 4.162 50 30 GIEARN CCOc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020955966 521272601 /nfs/dbraw/zinc/27/26/01/521272601.db2.gz SBUVUANKUQBARP-JOCHJYFZSA-N 0 0 377.488 4.169 50 30 GIEARN CCCCc1ccc(S(=O)(=O)N/N=C(/c2ccccc2)c2cccnc2)cc1 ZINC000017080426 521286064 /nfs/dbraw/zinc/28/60/64/521286064.db2.gz WLDZEQOAATXHEM-GYHWCHFESA-N 0 0 393.512 4.155 50 30 GIEARN CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccco2)c1 ZINC000000801608 521415918 /nfs/dbraw/zinc/41/59/18/521415918.db2.gz YRGMNLDVSIICHW-LJQANCHMSA-N 0 0 393.395 4.050 50 30 GIEARN CCN=C(Nc1ccc(Cl)cc1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000095108931 521508930 /nfs/dbraw/zinc/50/89/30/521508930.db2.gz WMGUSHNSEOUPDV-MRXNPFEDSA-N 0 0 387.892 4.002 50 30 GIEARN CCOC(=O)c1oc2c(c1C)/C(=N/OC(=O)c1ccccc1Cl)CCC2 ZINC000004471983 521608128 /nfs/dbraw/zinc/60/81/28/521608128.db2.gz MRDLVCBUWXLXCH-KGENOOAVSA-N 0 0 375.808 4.316 50 30 GIEARN CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020647764 521648193 /nfs/dbraw/zinc/64/81/93/521648193.db2.gz CBABSOFYVGGRAR-MTJSOVHGSA-N 0 0 395.455 4.359 50 30 GIEARN CCN1c2ccccc2/C(=C2/S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)C1=O ZINC000016267770 521730946 /nfs/dbraw/zinc/73/09/46/521730946.db2.gz CKJUAMAQHQDFNS-RXFRRRPYSA-N 0 0 397.887 4.311 50 30 GIEARN CC[C@@H](C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000033691687 522259791 /nfs/dbraw/zinc/25/97/91/522259791.db2.gz JCJZTJSAGPGOJX-ZDFPAGSVSA-N 0 0 388.380 4.135 50 30 GIEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc(Br)c1 ZINC000013137556 522817574 /nfs/dbraw/zinc/81/75/74/522817574.db2.gz PDNJWAOKXOWTGZ-BQYQJAHWSA-N 0 0 377.234 4.371 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000019798640 522880221 /nfs/dbraw/zinc/88/02/21/522880221.db2.gz SVGAPJSSFZVHQU-HTAPYJJXSA-N 0 0 391.442 4.360 50 30 GIEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000019856860 522883861 /nfs/dbraw/zinc/88/38/61/522883861.db2.gz MUBGRJCTQFIUBZ-VBKZILBWSA-N 0 0 397.858 4.468 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1Cl ZINC000102802708 523272982 /nfs/dbraw/zinc/27/29/82/523272982.db2.gz XWBOIIKPZUICJP-WOOAAIBNSA-N 0 0 399.874 4.107 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C)cc1 ZINC000102508289 523275261 /nfs/dbraw/zinc/27/52/61/523275261.db2.gz HUIZTXNAHWXQCM-LFVOPCPISA-N 0 0 399.874 4.107 50 30 GIEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102930955 523277856 /nfs/dbraw/zinc/27/78/56/523277856.db2.gz PSSNVUJEAOKSPK-LFVOPCPISA-N 0 0 399.512 4.330 50 30 GIEARN CC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2C)C1=O ZINC000033727612 523423032 /nfs/dbraw/zinc/42/30/32/523423032.db2.gz RBGDPVLILJKLTM-VFYZMQMWSA-N 0 0 396.472 4.147 50 30 GIEARN COc1ccc(/C=C2\Oc3c(ccc4c3CN(c3cccnc3)CO4)C2=O)cc1 ZINC000009341662 523422996 /nfs/dbraw/zinc/42/29/96/523422996.db2.gz INQOKTZDXJNYCT-NHDPSOOVSA-N 0 0 386.407 4.063 50 30 GIEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cc(F)ccc1F ZINC000012385028 523665050 /nfs/dbraw/zinc/66/50/50/523665050.db2.gz MEQRVCMWCLVXAP-CKBSFLJSSA-N 0 0 398.409 4.196 50 30 GIEARN COc1ccc(C(=O)OCC#CCSc2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000002815555 523770478 /nfs/dbraw/zinc/77/04/78/523770478.db2.gz CXTLISFVQBKJKB-UHFFFAOYSA-N 0 0 394.452 4.006 50 30 GIEARN COc1ccc(-c2nn(C)c(N)c2N=Nc2ccc(Cl)cc2Cl)cc1 ZINC000101389092 523877398 /nfs/dbraw/zinc/87/73/98/523877398.db2.gz XBTVFZMCGAWCDF-LMCNZLQPSA-N 0 0 376.247 4.097 50 30 GIEARN CN(C)/C=N/c1c(C#N)cc2nc3ccccc3c-2n1-c1ccc([N+](=O)[O-])cc1 ZINC000103637771 523969050 /nfs/dbraw/zinc/96/90/50/523969050.db2.gz LSPZLJPKJDLMRL-YDZHTSKRSA-N 0 0 384.399 4.132 50 30 GIEARN CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102668414 524033602 /nfs/dbraw/zinc/03/36/02/524033602.db2.gz WBDTWXGFWNEUKI-YDJIHCHBSA-N 0 0 388.423 4.172 50 30 GIEARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000008012394 524139855 /nfs/dbraw/zinc/13/98/55/524139855.db2.gz JNAIVVBISXXLCA-JOCHJYFZSA-N 0 0 392.528 4.481 50 30 GIEARN Cc1cccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c1 ZINC000004589474 524152910 /nfs/dbraw/zinc/15/29/10/524152910.db2.gz LCGZXVBJSNULGU-HAVVHWLPSA-N 0 0 378.524 4.212 50 30 GIEARN C[C@H]1CN(C(=O)C2(C#N)CCCC2)c2ccccc2CN1C(=O)OC(C)(C)C ZINC000095441935 524454957 /nfs/dbraw/zinc/45/49/57/524454957.db2.gz BCBMGKPTHXIUHP-INIZCTEOSA-N 0 0 383.492 4.243 50 30 GIEARN COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCC3)C2=O)c1 ZINC000020624779 524801461 /nfs/dbraw/zinc/80/14/61/524801461.db2.gz QYFOVFXFFOFGHW-BKUYFWCQSA-N 0 0 395.455 4.012 50 30 GIEARN Cc1ccccc1-c1nnc(SCC(=O)N(CCC#N)c2ccccc2)o1 ZINC000005435074 525015727 /nfs/dbraw/zinc/01/57/27/525015727.db2.gz QSKARDFJTNZWQN-UHFFFAOYSA-N 0 0 378.457 4.084 50 30 GIEARN Cc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000004620849 525039076 /nfs/dbraw/zinc/03/90/76/525039076.db2.gz RIOBFOUSRSPMGD-XQNSMLJCSA-N 0 0 387.491 4.360 50 30 GIEARN Cc1ccccc1/N=C1/NC(=O)[C@H](Cc2ccc(Br)cc2)S1 ZINC000013477821 525041156 /nfs/dbraw/zinc/04/11/56/525041156.db2.gz MYYFNSIMJPBFTJ-HNNXBMFYSA-N 0 0 375.291 4.219 50 30 GIEARN Cc1ccc(NC(=O)c2ccc(N=NCc3cccc(O)c3)c([N+](=O)[O-])c2)cc1 ZINC000004593046 525239317 /nfs/dbraw/zinc/23/93/17/525239317.db2.gz TZWNJNJPPPAUGQ-LPYMAVHISA-N 0 0 390.399 4.307 50 30 GIEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013730288 525277227 /nfs/dbraw/zinc/27/72/27/525277227.db2.gz AIBPUWWRNLHOSQ-QGZVFWFLSA-N 0 0 398.459 4.209 50 30 GIEARN COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccccc3)N(C)C1=O)S2 ZINC000013475590 525547009 /nfs/dbraw/zinc/54/70/09/525547009.db2.gz YPWXOBCWRHXBDT-FRKBGCJLSA-N 0 0 383.498 4.299 50 30 GIEARN Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccc(F)cc3)o2)cc1 ZINC000002812768 525855646 /nfs/dbraw/zinc/85/56/46/525855646.db2.gz LJZWIZUCKWGYTN-UHFFFAOYSA-N 0 0 382.416 4.137 50 30 GIEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(O)cc2)cc1 ZINC000102929843 525982182 /nfs/dbraw/zinc/98/21/82/525982182.db2.gz WVYZLBSTUAWJRF-MRJHHRETSA-N 0 0 385.419 4.327 50 30 GIEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 ZINC000013127763 526028664 /nfs/dbraw/zinc/02/86/64/526028664.db2.gz ZEJPIYGSIWOLIQ-SFHVURJKSA-N 0 0 379.437 4.428 50 30 GIEARN COc1cccc(NC(=S)N/N=C/c2cccn2Cc2ccc(C)cc2)c1 ZINC000003048685 526206184 /nfs/dbraw/zinc/20/61/84/526206184.db2.gz SMORRQPDZRXCGT-HYARGMPZSA-N 0 0 378.501 4.174 50 30 GIEARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)Nc1ccccc1SCC#N ZINC000014122270 526217997 /nfs/dbraw/zinc/21/79/97/526217997.db2.gz DMKMXXGKFSWSAW-LBPRGKRZSA-N 0 0 384.432 4.149 50 30 GIEARN O=C(C1=C(O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000017919784 526270422 /nfs/dbraw/zinc/27/04/22/526270422.db2.gz KGGUPAWLZYQVTH-HXUWFJFHSA-N 0 0 389.382 4.314 50 30 GIEARN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1/N=C1\SCC(=O)N1C1CC1 ZINC000017080306 526292490 /nfs/dbraw/zinc/29/24/90/526292490.db2.gz FROVEACZYHPYCZ-UZYVYHOESA-N 0 0 392.887 4.066 50 30 GIEARN Fc1ccc(C2N=NC(=S)N2N=Cc2ccc(Br)cc2)cc1 ZINC000009331562 526317459 /nfs/dbraw/zinc/31/74/59/526317459.db2.gz NTGXELXAONSJEG-GIJQJNRQSA-N 0 0 377.242 4.018 50 30 GIEARN Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000027525715 526320426 /nfs/dbraw/zinc/32/04/26/526320426.db2.gz OTDDCVYWGWKXSM-PCLIKHOPSA-N 0 0 396.450 4.075 50 30 GIEARN CC1N=NC(=S)N1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611347 526377162 /nfs/dbraw/zinc/37/71/62/526377162.db2.gz BUJRZIFPIBRDAB-CNHKJKLMSA-N 0 0 383.260 4.236 50 30 GIEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)Nc1cccc(OC)c1 ZINC000007781731 526380626 /nfs/dbraw/zinc/38/06/26/526380626.db2.gz AAAOKRBKBMXIIE-UHFFFAOYSA-N 0 0 378.432 4.274 50 30 GIEARN N#CCCN(C(=O)COC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000003270987 526450777 /nfs/dbraw/zinc/45/07/77/526450777.db2.gz JVDUIPNNGZQNEJ-UHFFFAOYSA-N 0 0 377.227 4.097 50 30 GIEARN N#CCCN(C(=O)CSc1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020897127 526452383 /nfs/dbraw/zinc/45/23/83/526452383.db2.gz FIJPSIWYMQUKDB-UHFFFAOYSA-N 0 0 398.875 4.429 50 30 GIEARN Cc1nc(NC(N)=NC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc12 ZINC000017122871 526960894 /nfs/dbraw/zinc/96/08/94/526960894.db2.gz VUJHOVPKAUHCOY-UHFFFAOYSA-N 0 0 389.246 4.204 50 30 GIEARN C=CCSc1ccccc1NC(=O)CN[C@@H](C(=O)OC)c1c(C)cccc1C ZINC000225387786 527013545 /nfs/dbraw/zinc/01/35/45/527013545.db2.gz NCPUPKMMQGBPOI-OAQYLSRUSA-N 0 0 398.528 4.024 50 30 GIEARN O=C1c2ccccc2O[C@@H](c2ccccc2)C1=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000100223097 527134413 /nfs/dbraw/zinc/13/44/13/527134413.db2.gz QAVWDMZNEFIQHK-DJAVKIJBSA-N 0 0 380.407 4.267 50 30 GIEARN C=CC[C@]1(C(=O)N(C)Cc2ccc(Cl)nc2)CCCN1C(=O)OC(C)(C)C ZINC000225623505 527227568 /nfs/dbraw/zinc/22/75/68/527227568.db2.gz ZSPSGCZYVLISST-HXUWFJFHSA-N 0 0 393.915 4.039 50 30 GIEARN O=[N+]([O-])c1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000019791115 527325295 /nfs/dbraw/zinc/32/52/95/527325295.db2.gz JDXQJIBNORCLCN-CIAFOILYSA-N 0 0 393.274 4.053 50 30 GIEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-c2ccccc2)[nH]c1=O ZINC000059251345 527326313 /nfs/dbraw/zinc/32/63/13/527326313.db2.gz UYLFVLIVYSGYHO-UHFFFAOYSA-N 0 0 391.430 4.089 50 30 GIEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1 ZINC000102629934 527380991 /nfs/dbraw/zinc/38/09/91/527380991.db2.gz UGFKYYFQVNJBKL-ZDLGFXPLSA-N 0 0 397.303 4.117 50 30 GIEARN O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1nc2nccc(-c3ccccc3)n2n1 ZINC000017147177 527383106 /nfs/dbraw/zinc/38/31/06/527383106.db2.gz KRZAIZDAFMJBOK-MDZDMXLPSA-N 0 0 386.371 4.001 50 30 GIEARN O=C(Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1)c1cccs1 ZINC000004390822 527531652 /nfs/dbraw/zinc/53/16/52/527531652.db2.gz YSRHDSANJMXGCF-UHFFFAOYSA-N 0 0 379.282 4.141 50 30 GIEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccc(-n2cncn2)c(F)c1 ZINC000096310901 527538614 /nfs/dbraw/zinc/53/86/14/527538614.db2.gz XDRZOPNOYYSAHM-LUAWRHEFSA-N 0 0 387.418 4.105 50 30 GIEARN O=C(/C=C/c1cnc(N2CCOCC2)s1)c1ccc(N2CCCCCC2)cc1 ZINC000058265659 527646853 /nfs/dbraw/zinc/64/68/53/527646853.db2.gz OSWAIQDMIGGFEO-MDZDMXLPSA-N 0 0 397.544 4.256 50 30 GIEARN FC(F)(Cl)[C@](F)(Cl)C(F)(F)C(F)(F)I ZINC000071766862 527662061 /nfs/dbraw/zinc/66/20/61/527662061.db2.gz YRAAQTPTEGTGOK-SFOWXEAESA-N 0 0 378.840 4.386 50 30 GIEARN CCCCCCCCS(=O)(=O)CCOS(=O)(=O)CCCCCCCC ZINC000098008422 528133060 /nfs/dbraw/zinc/13/30/60/528133060.db2.gz MJWPFIJSQHYUSM-UHFFFAOYSA-N 0 0 398.631 4.469 50 30 GIEARN CC1CCN(c2ccc(CNC(=O)Cc3cnccc3C(F)(F)F)cn2)CC1 ZINC000328592707 528265165 /nfs/dbraw/zinc/26/51/65/528265165.db2.gz GEXVIAHRZTYQGX-UHFFFAOYSA-N 0 0 392.425 4.431 50 30 GIEARN CCOc1ccc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000096792327 528382171 /nfs/dbraw/zinc/38/21/71/528382171.db2.gz FOHDCZMCWDUUPW-XFXZXTDPSA-N 0 0 388.467 4.366 50 30 GIEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 ZINC000004699904 528955763 /nfs/dbraw/zinc/95/57/63/528955763.db2.gz WYWANINOOPAZLQ-VFOOBRQFSA-N 0 0 387.892 4.320 50 30 GIEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(F)c(F)c2)NCc2ccccn2)c1 ZINC000046126241 570209882 /nfs/dbraw/zinc/20/98/82/570209882.db2.gz RXIDRTUNJHNYEG-UHFFFAOYSA-N 0 0 394.425 4.375 50 30 GIEARN COc1ccc(NC(=NC(=O)c2ccccc2)NCc2ccccn2)cc1Cl ZINC000046126193 570209905 /nfs/dbraw/zinc/20/99/05/570209905.db2.gz YZAMHXJDOXSFFT-UHFFFAOYSA-N 0 0 394.862 4.142 50 30 GIEARN Cc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NCc2cccnc2)cc1 ZINC000046127600 570210534 /nfs/dbraw/zinc/21/05/34/570210534.db2.gz CJPAFWRHIVQUDL-UHFFFAOYSA-N 0 0 378.863 4.442 50 30 GIEARN CCOc1ccccc1NC(=NC(=O)c1ccc(CC)cc1)NC[C@H]1CCCO1 ZINC000046129133 570211120 /nfs/dbraw/zinc/21/11/20/570211120.db2.gz NHCVFCOHLHYWCR-LJQANCHMSA-N 0 0 395.503 4.025 50 30 GIEARN CCc1ccc(NC(=NC(=O)c2ccc(C)c(C)c2)NC[C@H]2CCCO2)cc1 ZINC000046133321 570212027 /nfs/dbraw/zinc/21/20/27/570212027.db2.gz QLICCQWOADSSDM-OAQYLSRUSA-N 0 0 379.504 4.243 50 30 GIEARN COc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C(C)C)c2)c1 ZINC000046133255 570212182 /nfs/dbraw/zinc/21/21/82/570212182.db2.gz UTPFVEJKMHWDJT-OAQYLSRUSA-N 0 0 395.503 4.196 50 30 GIEARN N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000012809759 570221845 /nfs/dbraw/zinc/22/18/45/570221845.db2.gz BPADVPPWFMMAPK-UHFFFAOYSA-N 0 0 387.508 4.245 50 30 GIEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2ccccc2Br)cc1 ZINC000001155974 570249941 /nfs/dbraw/zinc/24/99/41/570249941.db2.gz QXTKYCLEHIEIOF-XDHOZWIPSA-N 0 0 395.322 4.059 50 30 GIEARN Cc1ccc(C(=O)NCc2cccc(OCC#N)c2)cc1NC(=O)c1ccccc1 ZINC000113105688 570262885 /nfs/dbraw/zinc/26/28/85/570262885.db2.gz BWPXXXZAAWDYHC-UHFFFAOYSA-N 0 0 399.450 4.080 50 30 GIEARN CCN(CC)c1ccc(/C=N/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1 ZINC000002170169 570277024 /nfs/dbraw/zinc/27/70/24/570277024.db2.gz DCNINSVDHJVQPU-DFEHQXHXSA-N 0 0 382.508 4.243 50 30 GIEARN C=CCn1c2nc(-c3ccc(OC)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604818 570283694 /nfs/dbraw/zinc/28/36/94/570283694.db2.gz KHIKNLJKKOHDQE-UHFFFAOYSA-N 0 0 375.400 4.253 50 30 GIEARN C=CCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccccc1OC ZINC000012889068 570285453 /nfs/dbraw/zinc/28/54/53/570285453.db2.gz BYEBCNMLRMYTLD-UHFFFAOYSA-N 0 0 385.493 4.113 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(OC)c2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821530 570288453 /nfs/dbraw/zinc/28/84/53/570288453.db2.gz CHJLTHKXQTVZKQ-GGAORHGYSA-N 0 0 393.483 4.081 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004821522 570288612 /nfs/dbraw/zinc/28/86/12/570288612.db2.gz CHJLTHKXQTVZKQ-JTHBVZDNSA-N 0 0 393.483 4.081 50 30 GIEARN N#Cc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2Cl)cc1 ZINC000024772624 570292803 /nfs/dbraw/zinc/29/28/03/570292803.db2.gz MASHCENQILTFHB-UHFFFAOYSA-N 0 0 391.862 4.449 50 30 GIEARN CN1N=C(Nc2ccccc2Cl)C(=NNc2ccc(C(F)(F)F)cc2)C1=O ZINC000003046391 570326985 /nfs/dbraw/zinc/32/69/85/570326985.db2.gz LVZPHKDECFVBQU-ZVHZXABRSA-N 0 0 395.772 4.024 50 30 GIEARN COc1ccc(/C=C/c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC ZINC000004857507 570348112 /nfs/dbraw/zinc/34/81/12/570348112.db2.gz ZSEJGISWUBZZHW-PKNBQFBNSA-N 0 0 375.428 4.388 50 30 aggregator GIEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 ZINC000003970313 570353858 /nfs/dbraw/zinc/35/38/58/570353858.db2.gz SMHKIZYJELWBBQ-HXUWFJFHSA-N 0 0 393.874 4.342 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccccc1 ZINC000004919700 570366069 /nfs/dbraw/zinc/36/60/69/570366069.db2.gz QNPUHMAHUKIAGP-GCJKJVERSA-N 0 0 380.440 4.023 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccs2)C[C@H]1c1cc(OC)ccc1OC ZINC000004918950 570366099 /nfs/dbraw/zinc/36/60/99/570366099.db2.gz JMKNPFBNBHWPFP-OXJNMPFZSA-N 0 0 386.469 4.085 50 30 GIEARN CCOC(=O)[C@H]1C(=O)C=C(c2cccc(OC)c2)C[C@H]1c1ccc(OC)cc1 ZINC000004919114 570366149 /nfs/dbraw/zinc/36/61/49/570366149.db2.gz OZYVBXCNNLPACD-RBBKRZOGSA-N 0 0 380.440 4.023 50 30 GIEARN CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(N)OC2=C1C(=O)CCC2 ZINC000004655596 570389751 /nfs/dbraw/zinc/38/97/51/570389751.db2.gz WIUGTCUKXJBYKW-LJQANCHMSA-N 0 0 399.487 4.108 50 30 GIEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1nnc2n1CCCCC2 ZINC000064102052 570393744 /nfs/dbraw/zinc/39/37/44/570393744.db2.gz YKCXERGUPYYVBO-QLFBSQMISA-N 0 0 388.393 4.003 50 30 GIEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000004786600 570405672 /nfs/dbraw/zinc/40/56/72/570405672.db2.gz GTCTWVQERHMMOL-VLIAUNLRSA-N 0 0 394.837 4.486 50 30 GIEARN C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1C1CCCCC1 ZINC000024975106 570412280 /nfs/dbraw/zinc/41/22/80/570412280.db2.gz BQQJMTFLGYFUOX-UHFFFAOYSA-N 0 0 399.564 4.309 50 30 GIEARN CCOc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914438 570417931 /nfs/dbraw/zinc/41/79/31/570417931.db2.gz BLFRDMHUCWXCLL-QAPCUYQASA-N 0 0 379.431 4.229 50 30 GIEARN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2C)c1 ZINC000004916302 570418080 /nfs/dbraw/zinc/41/80/80/570418080.db2.gz RTLZXXQPBAOOBT-BEFAXECRSA-N 0 0 391.467 4.017 50 30 GIEARN Cc1cc(C)nc(N=NC(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)n1 ZINC000004981744 570421314 /nfs/dbraw/zinc/42/13/14/570421314.db2.gz KVTKIJNAFFXGKJ-UHFFFAOYSA-N 0 0 388.519 4.090 50 30 GIEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC)cc1 ZINC000004993370 570422034 /nfs/dbraw/zinc/42/20/34/570422034.db2.gz NDNBSDPIFPSRFV-HXUWFJFHSA-N 0 0 389.451 4.217 50 30 GIEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1O ZINC000239159627 570428288 /nfs/dbraw/zinc/42/82/88/570428288.db2.gz MMUSBKLJSQKWOY-UHFFFAOYSA-N 0 0 395.271 4.137 50 30 GIEARN COc1ccc(CC[C@](C)(O)C#CCN2CCCC[C@H]2c2cccnc2)cc1 ZINC000245226126 570434232 /nfs/dbraw/zinc/43/42/32/570434232.db2.gz IRUDFFVUOWSUDD-BJKOFHAPSA-N 0 0 378.516 4.004 50 30 GIEARN N#C[C@@]1(c2nc3ccccc3[nH]2)Cc2cc([N+](=O)[O-])ccc2N2CCCCC[C@H]21 ZINC000245247582 570434908 /nfs/dbraw/zinc/43/49/08/570434908.db2.gz WOZFVLCMTANHQB-UNMCSNQZSA-N 0 0 387.443 4.238 50 30 GIEARN C#CCOc1ccccc1CN(C)C(=O)N[C@H]1CCSc2ccc(C)cc21 ZINC000072270270 570434972 /nfs/dbraw/zinc/43/49/72/570434972.db2.gz RTRLTEMOCDNKLU-IBGZPJMESA-N 0 0 380.513 4.386 50 30 GIEARN Cc1ccc(CN2CCN(N=Cc3ccccc3C(F)(F)F)CC2)c(C)c1 ZINC000252394329 570442401 /nfs/dbraw/zinc/44/24/01/570442401.db2.gz IQWVFGRXSAEHDJ-UHFFFAOYSA-N 0 0 375.438 4.474 50 30 GIEARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC=C1C(=O)CCCC1=O ZINC000100772852 570443441 /nfs/dbraw/zinc/44/34/41/570443441.db2.gz CDPKTHUSHRPDME-SSDVNMTOSA-N 0 0 399.468 4.241 50 30 GIEARN Cn1nccc1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253531308 570445395 /nfs/dbraw/zinc/44/53/95/570445395.db2.gz IMHWUDTYEQIITA-YPWHEQNXSA-N 0 0 380.532 4.306 50 30 GIEARN COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Br ZINC000005609279 570448804 /nfs/dbraw/zinc/44/88/04/570448804.db2.gz RPWHSMBTHYWDLG-VCHYOVAHSA-N 0 0 389.278 4.261 50 30 GIEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)cc1 ZINC000033859574 570450761 /nfs/dbraw/zinc/45/07/61/570450761.db2.gz BZIAEXUGNIBWHU-GHRIWEEISA-N 0 0 383.473 4.170 50 30 GIEARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000329774684 570471676 /nfs/dbraw/zinc/47/16/76/570471676.db2.gz MLEHVSXHEJWUGG-ONGXBYRLSA-N 0 0 379.456 4.266 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@@H]1Cc1ccc(Cl)cc1 ZINC000006222234 570472630 /nfs/dbraw/zinc/47/26/30/570472630.db2.gz YNRYLJCKWOYNAS-IXJMWADBSA-N 0 0 378.284 4.158 50 30 GIEARN CC(C)CC(=NNS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000252596551 570478655 /nfs/dbraw/zinc/47/86/55/570478655.db2.gz CKIVCXHYXRCMMA-UHFFFAOYSA-N 0 0 395.322 4.178 50 30 GIEARN C[C@H](C#N)Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 ZINC000006580134 570481036 /nfs/dbraw/zinc/48/10/36/570481036.db2.gz HJCGLRNRSSQPLJ-LLVKDONJSA-N 0 0 389.278 4.353 50 30 GIEARN Cc1nn(-c2ccccc2)c(COC(=O)c2cc(C)nc3ccccc32)c1C#N ZINC000006585112 570485810 /nfs/dbraw/zinc/48/58/10/570485810.db2.gz VEHOSNABGPNEKN-UHFFFAOYSA-N 0 0 382.423 4.266 50 30 GIEARN C=CCn1cnnc1S[C@H](C(=O)Nc1cccc(C(C)=O)c1)c1ccccc1 ZINC000006589840 570487534 /nfs/dbraw/zinc/48/75/34/570487534.db2.gz KHSLTMOPJYOGMF-IBGZPJMESA-N 0 0 392.484 4.139 50 30 GIEARN C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000006677865 570487671 /nfs/dbraw/zinc/48/76/71/570487671.db2.gz FTWLVZLRAUSHFF-GOSISDBHSA-N 0 0 396.516 4.223 50 30 GIEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000006780800 570492970 /nfs/dbraw/zinc/49/29/70/570492970.db2.gz XCMAMNLOQUXQIG-KRWDZBQOSA-N 0 0 398.802 4.013 50 30 GIEARN Cc1cccc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccc(C)c(C)c2)c1 ZINC000005199905 570501119 /nfs/dbraw/zinc/50/11/19/570501119.db2.gz VMQDVTVQVQWRIJ-UHFFFAOYSA-N 0 0 384.435 4.258 50 30 GIEARN CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCc3ccccn3)c12 ZINC000005245947 570527001 /nfs/dbraw/zinc/52/70/01/570527001.db2.gz VTMHPJUBXSSSMM-UHFFFAOYSA-N 0 0 380.444 4.375 50 30 GIEARN O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1 ZINC000009009886 570546278 /nfs/dbraw/zinc/54/62/78/570546278.db2.gz RRRVBNJQXGWEIM-FRFYRWIFSA-N 0 0 382.419 4.264 50 30 GIEARN COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CC(C)(C)N2C)cc1 ZINC000062001554 570555123 /nfs/dbraw/zinc/55/51/23/570555123.db2.gz OLXZEFKZIMWLGJ-UHFFFAOYSA-N 0 0 381.472 4.203 50 30 GIEARN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(-c3cccc(C)c3)nn21 ZINC000006732435 570557185 /nfs/dbraw/zinc/55/71/85/570557185.db2.gz FHULWHHAQUPWNR-OAQYLSRUSA-N 0 0 386.455 4.284 50 30 GIEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4cccc(C)c4)nc3c2[C@H]1c1ccco1 ZINC000005345349 570560667 /nfs/dbraw/zinc/56/06/67/570560667.db2.gz NIJYTUMDOBFNNH-SFHVURJKSA-N 0 0 386.411 4.080 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(N(C)C)c2)C[C@H]1c1ccc(C)cc1 ZINC000225512725 570582273 /nfs/dbraw/zinc/58/22/73/570582273.db2.gz DZXBPKJFAQRXFM-GMAHTHKFSA-N 0 0 377.484 4.380 50 30 GIEARN CCc1ccc([C@@H](NC(=O)COc2ccc(C#N)cc2)c2cccs2)cc1 ZINC000005406146 570587460 /nfs/dbraw/zinc/58/74/60/570587460.db2.gz XVOGQCXUDAIBGE-JOCHJYFZSA-N 0 0 376.481 4.467 50 30 GIEARN COc1ccc([N+](=O)[O-])cc1-c1ccc(C=NN=c2[nH]c3ccccc3[nH]2)o1 ZINC000005455427 570600828 /nfs/dbraw/zinc/60/08/28/570600828.db2.gz HMUOHIRTLBVWNC-RGVLZGJSSA-N 0 0 377.360 4.186 50 30 GIEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccccc1Cl ZINC000005499636 570614715 /nfs/dbraw/zinc/61/47/15/570614715.db2.gz WHGWEQJJQQJEJV-CYBMUJFWSA-N 0 0 387.892 4.286 50 30 GIEARN N#Cc1ccc(-c2cccs2)nc1SCCN1C(=O)c2ccccc2C1=O ZINC000033011048 570623137 /nfs/dbraw/zinc/62/31/37/570623137.db2.gz WPHSXQZVAUGCFP-UHFFFAOYSA-N 0 0 391.477 4.070 50 30 GIEARN CCOc1ccc(/C=C/C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC ZINC000004598242 570629480 /nfs/dbraw/zinc/62/94/80/570629480.db2.gz XUHVXNAAJPMLTE-QPJJXVBHSA-N 0 0 395.367 4.005 50 30 GIEARN N#Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccco1 ZINC000036354912 570636431 /nfs/dbraw/zinc/63/64/31/570636431.db2.gz CMHNZHNKFWJGEH-UHFFFAOYSA-N 0 0 379.466 4.263 50 30 GIEARN N#CCCN(Cn1nc(C2CC2)n(-c2ccccc2)c1=S)CC(F)(F)F ZINC000072312360 570647997 /nfs/dbraw/zinc/64/79/97/570647997.db2.gz OISIRGCOJSXWGQ-UHFFFAOYSA-N 0 0 381.427 4.016 50 30 GIEARN C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000036382822 570654095 /nfs/dbraw/zinc/65/40/95/570654095.db2.gz ONKUMRGIYFNPJW-RDLBHHLTSA-N 0 0 384.516 4.426 50 30 GIEARN CCC(CC)CN(CCC#N)C(=O)Nc1c(C)cccc1C(=O)N1CCCC1 ZINC000072314442 570660235 /nfs/dbraw/zinc/66/02/35/570660235.db2.gz SJMTVBQNMOIPOK-UHFFFAOYSA-N 0 0 384.524 4.415 50 30 GIEARN COC(=O)c1sc(NC(=O)CSc2ccc(Cl)cc2)c(C#N)c1C ZINC000004603242 570660645 /nfs/dbraw/zinc/66/06/45/570660645.db2.gz VXLZJEQHESCSOH-UHFFFAOYSA-N 0 0 380.878 4.099 50 30 GIEARN COc1ccc(-c2nc(NC(=O)COc3ccccc3C#N)sc2C)cc1 ZINC000006942508 570715311 /nfs/dbraw/zinc/71/53/11/570715311.db2.gz DLMNKJLHUGWPQR-UHFFFAOYSA-N 0 0 379.441 4.016 50 30 GIEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccccc1Cl ZINC000012843797 570723873 /nfs/dbraw/zinc/72/38/73/570723873.db2.gz WIQGEWPRQSCOCL-VYXQJKENSA-N 0 0 378.284 4.158 50 30 GIEARN Cc1cccc(C(=O)Nc2ccc(OCC(=O)Nc3sccc3C#N)cc2)c1 ZINC000032666453 570731528 /nfs/dbraw/zinc/73/15/28/570731528.db2.gz LKLADRUUXXTAJA-UHFFFAOYSA-N 0 0 391.452 4.198 50 30 GIEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 ZINC000001162676 570759759 /nfs/dbraw/zinc/75/97/59/570759759.db2.gz PZNMLJIQGSBDRM-ZSNJSTEGSA-N 0 0 397.474 4.136 50 30 GIEARN COc1ccc(NC=C(C(=O)c2ccc(OC)cc2)C(=O)C(F)(F)F)cc1 ZINC000100862408 570777128 /nfs/dbraw/zinc/77/71/28/570777128.db2.gz MEUTUUMOAUHYSG-WJDWOHSUSA-N 0 0 379.334 4.014 50 30 GIEARN CCOc1cc(C#N)c(NC(=O)COc2ccc(Cl)c(C)c2)cc1OCC ZINC000004653303 570807138 /nfs/dbraw/zinc/80/71/38/570807138.db2.gz LDVADBVMPNMIER-UHFFFAOYSA-N 0 0 388.851 4.335 50 30 GIEARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)Nc1cccc(C#N)c1 ZINC000006028834 570815321 /nfs/dbraw/zinc/81/53/21/570815321.db2.gz CVHBTOJRPBXKJM-GFCCVEGCSA-N 0 0 389.440 4.209 50 30 GIEARN Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000101122257 570815429 /nfs/dbraw/zinc/81/54/29/570815429.db2.gz BUJNXELMCHLEKS-GZTJUZNOSA-N 0 0 376.485 4.444 50 30 GIEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000004688339 570834339 /nfs/dbraw/zinc/83/43/39/570834339.db2.gz CKCJSROXLQMDKH-VBKFSLOCSA-N 0 0 396.424 4.138 50 30 GIEARN CCc1c2c(nc(SCC(=O)c3cc4ccccc4oc3=O)c1C#N)CCC2 ZINC000003206425 570837135 /nfs/dbraw/zinc/83/71/35/570837135.db2.gz SMZQJDLLGOUALU-UHFFFAOYSA-N 0 0 390.464 4.086 50 30 GIEARN C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1(C#N)CCCCC1 ZINC000007481848 570850366 /nfs/dbraw/zinc/85/03/66/570850366.db2.gz CTWQSXWEQDONSG-GOSISDBHSA-N 0 0 390.483 4.093 50 30 GIEARN N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC2=CCCCC2)CC1 ZINC000046699145 570855471 /nfs/dbraw/zinc/85/54/71/570855471.db2.gz SWUCKGNOOXFNFD-UHFFFAOYSA-N 0 0 394.475 4.029 50 30 GIEARN CC1(C)CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cccc(F)c2)C1 ZINC000004716144 570856524 /nfs/dbraw/zinc/85/65/24/570856524.db2.gz ZOWIFDQJTONEEK-AWEZNQCLSA-N 0 0 380.345 4.094 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccccc1 ZINC000170615361 570872987 /nfs/dbraw/zinc/87/29/87/570872987.db2.gz WZGTXRLXEMMMBX-UNMCSNQZSA-N 0 0 380.440 4.023 50 30 GIEARN COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(C#N)CC2)c(F)c1 ZINC000072479217 570882331 /nfs/dbraw/zinc/88/23/31/570882331.db2.gz NVWSKFKVPHAJCD-UHFFFAOYSA-N 0 0 390.462 4.423 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cccc(F)c2)C[C@H]1c1cc(OC)ccc1OC ZINC000097104879 570894181 /nfs/dbraw/zinc/89/41/81/570894181.db2.gz AJMBZEDJAUXCQF-UGKGYDQZSA-N 0 0 398.430 4.162 50 30 GIEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000097104935 570894283 /nfs/dbraw/zinc/89/42/83/570894283.db2.gz HCFQXICDECPPPX-GMAHTHKFSA-N 0 0 393.483 4.081 50 30 GIEARN C=CCSc1ccccc1NC(=O)CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000032902735 570900590 /nfs/dbraw/zinc/90/05/90/570900590.db2.gz RJEWHSNDTXHRCV-QHCPKHFHSA-N 0 0 396.556 4.349 50 30 GIEARN N#CC1(C(=O)NCc2ccc(-n3cnc4ccccc43)cc2Cl)CCCC1 ZINC000089878689 570918323 /nfs/dbraw/zinc/91/83/23/570918323.db2.gz SZMNFDOEIOWDCN-UHFFFAOYSA-N 0 0 378.863 4.379 50 30 GIEARN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000089921997 570919520 /nfs/dbraw/zinc/91/95/20/570919520.db2.gz SQIUJGBXYIOUMR-BLLLJJGKSA-N 0 0 379.485 4.345 50 30 GIEARN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000089921995 570919568 /nfs/dbraw/zinc/91/95/68/570919568.db2.gz SQIUJGBXYIOUMR-MLGOLLRUSA-N 0 0 379.485 4.345 50 30 GIEARN Cc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(C#N)cc3)C2=O)c(C)c1 ZINC000033286199 570954172 /nfs/dbraw/zinc/95/41/72/570954172.db2.gz QNBHKVKJIIJHCP-GRSHGNNSSA-N 0 0 376.437 4.094 50 30 GIEARN O=C([O-])c1ccc(C=NN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000252429308 570955496 /nfs/dbraw/zinc/95/54/96/570955496.db2.gz BGVOSNVQWAJEBO-UHFFFAOYSA-N 0 0 397.478 4.106 50 30 GIEARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000170642824 570963829 /nfs/dbraw/zinc/96/38/29/570963829.db2.gz QOWJBSBIUPSFNO-BFUOFWGJSA-N 0 0 382.485 4.446 50 30 GIEARN N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)cc1 ZINC000033307248 570967558 /nfs/dbraw/zinc/96/75/58/570967558.db2.gz SGXOXBDZSJBFHM-UHFFFAOYSA-N 0 0 396.406 4.440 50 30 GIEARN C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000004767015 570972159 /nfs/dbraw/zinc/97/21/59/570972159.db2.gz CUBRJYWLDDNNPB-QMMMGPOBSA-N 0 0 398.633 4.097 50 30 GIEARN CC(C)C(=O)O/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000001400750 570981950 /nfs/dbraw/zinc/98/19/50/570981950.db2.gz LNNXWZDCORUHKT-XLNRJJMWSA-N 0 0 391.254 4.444 50 30 GIEARN C=CCOc1cccc(C(=O)N2CCC(c3nccn3CC3CCC3)CC2)c1 ZINC000091779861 570984805 /nfs/dbraw/zinc/98/48/05/570984805.db2.gz LMRBVDLXZKLDSK-UHFFFAOYSA-N 0 0 379.504 4.268 50 30 GIEARN CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NC[C@H]2CCCO2)c1 ZINC000046130732 570987843 /nfs/dbraw/zinc/98/78/43/570987843.db2.gz IWURHNHKXLOSCA-LJQANCHMSA-N 0 0 385.895 4.279 50 30 GIEARN CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C#N)c3Cl)C[C@@H]21 ZINC000252527841 570988334 /nfs/dbraw/zinc/98/83/34/570988334.db2.gz DMEYGMPQWUWJKV-YLQAJVPDSA-N 0 0 393.890 4.086 50 30 GIEARN CCc1cccc2c1NC(=O)/C2=C1/SC(=Nc2ccc(Cl)cc2)N(C)C1=O ZINC000252596820 571003757 /nfs/dbraw/zinc/00/37/57/571003757.db2.gz CMTKACJSQFVABG-ULYJWMAASA-N 0 0 397.887 4.459 50 30 GIEARN COC(=O)c1ccc(N=C2S/C(=C/c3ccc(OC)c(C)c3)C(=O)N2C)cc1 ZINC000252597715 571004349 /nfs/dbraw/zinc/00/43/49/571004349.db2.gz CUEIJLJOKHQWEI-NLUKZUHQSA-N 0 0 396.468 4.024 50 30 GIEARN COc1ccc(CN=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000252602391 571006237 /nfs/dbraw/zinc/00/62/37/571006237.db2.gz FHBNYIMANSAXHE-UHFFFAOYSA-N 0 0 384.417 4.182 50 30 GIEARN CCOc1cc(C=NNC(N)=S)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000252603153 571006443 /nfs/dbraw/zinc/00/64/43/571006443.db2.gz FOEBXJHAICZVIC-UHFFFAOYSA-N 0 0 398.315 4.138 50 30 GIEARN CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=Nc1ccc(C(=O)OC)cc1 ZINC000252613401 571016835 /nfs/dbraw/zinc/01/68/35/571016835.db2.gz JAUUUZXOWLNQOM-OYBLBNEUSA-N 0 0 384.432 4.236 50 30 GIEARN Cc1ccc(S(=O)(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000252616581 571018405 /nfs/dbraw/zinc/01/84/05/571018405.db2.gz KBEMWAXUMLCNAR-UHFFFAOYSA-N 0 0 398.459 4.026 50 30 GIEARN CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=Nc1ccccc1 ZINC000252616319 571018413 /nfs/dbraw/zinc/01/84/13/571018413.db2.gz JZKVXGUDWNTXQW-MKODQCMXSA-N 0 0 389.274 4.389 50 30 GIEARN CCOC(=O)C1=C(N=Cc2cccc(OCC)c2O)S[C@@H]2CCCC[C@H]12 ZINC000252620328 571026680 /nfs/dbraw/zinc/02/66/80/571026680.db2.gz MBZLWVNMKSDUBF-GOEBONIOSA-N 0 0 375.490 4.290 50 30 GIEARN CC(C)c1cccc(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCC4)CC2=O)c1 ZINC000084625248 571027625 /nfs/dbraw/zinc/02/76/25/571027625.db2.gz OYDQHLGEYHPGSU-HNNXBMFYSA-N 0 0 393.512 4.223 50 30 GIEARN CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)cnc21 ZINC000012779083 571031941 /nfs/dbraw/zinc/03/19/41/571031941.db2.gz URRUWWCGQFUFCS-GFCCVEGCSA-N 0 0 379.489 4.322 50 30 GIEARN C#CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1 ZINC000252623472 571034950 /nfs/dbraw/zinc/03/49/50/571034950.db2.gz OSIGCWPDADVNTL-SPDSTVKKSA-N 0 0 392.480 4.331 50 30 GIEARN O=C1c2cccc3cccc(c32)C(=O)N1N=Cc1ccc(Br)cc1 ZINC000252623833 571035800 /nfs/dbraw/zinc/03/58/00/571035800.db2.gz PAHPVOPBDUWWMN-UHFFFAOYSA-N 0 0 379.213 4.232 50 30 GIEARN