smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(Oc2ccccc2)cc1SCc1ccccc1 ZINC000000036255 563926452 /nfs/dbraw/zinc/92/64/52/563926452.db2.gz SBJKWJJZIQFFQA-UHFFFAOYSA-N 0 0 317.413 5.643 40 30 DKEBRN C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1ccccc1 ZINC000000045153 563628429 /nfs/dbraw/zinc/62/84/29/563628429.db2.gz GSKGVYBLHSNQOJ-HAVVHWLPSA-N 0 0 323.399 5.290 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1cccc(Cl)c1Cl ZINC000000061243 563212208 /nfs/dbraw/zinc/21/22/08/563212208.db2.gz GPKDOQXGDFCIMD-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1cccc(C(F)(F)F)c1 ZINC000000061293 563212121 /nfs/dbraw/zinc/21/21/21/563212121.db2.gz PJAREUICBHGCKB-JJFYIABZSA-N 0 0 315.294 5.315 40 30 DKEBRN Cc1ccccc1-c1nc2cc(/N=C/c3ccccc3)ccc2o1 ZINC000000226320 563819502 /nfs/dbraw/zinc/81/95/02/563819502.db2.gz OOOAFKFGQOFWCA-HYARGMPZSA-N 0 0 312.372 5.554 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(C)cc1 ZINC000000232042 563840594 /nfs/dbraw/zinc/84/05/94/563840594.db2.gz FKMZRXKKZWQPKV-UHFFFAOYSA-O 0 0 321.469 5.249 40 30 DKEBRN Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1 ZINC000000261729 563926790 /nfs/dbraw/zinc/92/67/90/563926790.db2.gz JHAQXWFIUAKEPS-UHFFFAOYSA-N 0 0 302.402 5.258 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)cc1Cl ZINC000000273870 563235141 /nfs/dbraw/zinc/23/51/41/563235141.db2.gz MTRUHQDIVVUTJS-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN N#Cc1c(Cl)nc2c(c1-c1ccccc1)CCc1ccccc1-2 ZINC000000275656 563926765 /nfs/dbraw/zinc/92/67/65/563926765.db2.gz LFCMYNZXYZVSCZ-UHFFFAOYSA-N 0 0 316.791 5.039 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000277654 563235152 /nfs/dbraw/zinc/23/51/52/563235152.db2.gz KUHDOLBWUJBLHM-LPYMAVHISA-N 0 0 318.420 5.167 40 30 DKEBRN C[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3Cl)sc2C1 ZINC000000295586 563878679 /nfs/dbraw/zinc/87/86/79/563878679.db2.gz PMECNEBULDQWLJ-KKBVUKDESA-N 0 0 314.841 5.149 40 30 DKEBRN C[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3Cl)sc2C1 ZINC000000295591 563878728 /nfs/dbraw/zinc/87/87/28/563878728.db2.gz PMECNEBULDQWLJ-JZOCJUILSA-N 0 0 314.841 5.149 40 30 DKEBRN CC(=O)/C=C/c1oc2ccc(Cl)cc2c1-c1ccc(C)o1 ZINC000000305476 563238507 /nfs/dbraw/zinc/23/85/07/563238507.db2.gz WKVJQUBRKKBXRK-ZZXKWVIFSA-N 0 0 300.741 5.257 40 30 DKEBRN Fc1ccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000000312473 563239530 /nfs/dbraw/zinc/23/95/30/563239530.db2.gz NSJIMFUMTKFPLO-DNTJNYDQSA-N 0 0 301.670 5.249 40 30 DKEBRN O=C(Nc1cccc2ccccc21)O/N=C/c1ccccc1Cl ZINC000000315489 563240171 /nfs/dbraw/zinc/24/01/71/563240171.db2.gz RDYSSHHWKMLHCB-UDWIEESQSA-N 0 0 324.767 5.076 40 30 DKEBRN O=C1c2ccccc2S/C1=C\c1c(Cl)cccc1Cl ZINC000000342474 563607467 /nfs/dbraw/zinc/60/74/67/563607467.db2.gz ZQJAADOIGHKBEA-ZSOIEALJSA-N 0 0 307.201 5.323 40 30 DKEBRN CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)ccc2O)c1 ZINC000000344895 563607556 /nfs/dbraw/zinc/60/75/56/563607556.db2.gz CANIIBAMLMDVPZ-VURRPDKYSA-N 0 0 303.789 5.015 40 30 DKEBRN CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)ccc2O)c1 ZINC000000344898 563607462 /nfs/dbraw/zinc/60/74/62/563607462.db2.gz CANIIBAMLMDVPZ-VSMYLPJWSA-N 0 0 303.789 5.015 40 30 DKEBRN N#Cc1c2c(sc1/N=C/c1cccc3ccccc13)CCC2 ZINC000000345028 563607428 /nfs/dbraw/zinc/60/74/28/563607428.db2.gz FQTWIIMCEGOOTK-CIAFOILYSA-N 0 0 302.402 5.012 40 30 DKEBRN Clc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000000422725 563609291 /nfs/dbraw/zinc/60/92/91/563609291.db2.gz TXLCEAOTMBJCJI-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccsc1/C=N/c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000436806 563253743 /nfs/dbraw/zinc/25/37/43/563253743.db2.gz ZROZOZNEEWXWJA-XDHOZWIPSA-N 0 0 322.389 5.382 40 30 DKEBRN Cc1ccc(/C=N/c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)s1 ZINC000000438301 563254039 /nfs/dbraw/zinc/25/40/39/563254039.db2.gz HYEXPKXTOJMPOG-XDHOZWIPSA-N 0 0 322.389 5.382 40 30 DKEBRN O=[N+]([O-])c1cccc(/C=N/[C@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)c1 ZINC000000500163 563618486 /nfs/dbraw/zinc/61/84/86/563618486.db2.gz PLBLXJMHUYUZIW-FWISXMLOSA-N 0 0 324.424 5.073 40 30 DKEBRN O=[N+]([O-])c1ccc(/C=N/[C@@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)cc1 ZINC000000501071 563618821 /nfs/dbraw/zinc/61/88/21/563618821.db2.gz AGNSXOBSVWJNTP-DRJNORDJSA-N 0 0 324.424 5.073 40 30 DKEBRN Fc1ccc(/C=N/c2ccc(/N=C\c3ccc(F)cc3)cc2)cc1 ZINC000000524167 563264630 /nfs/dbraw/zinc/26/46/30/563264630.db2.gz PXLVXXHBFOCRHF-NQGGHMMCSA-N 0 0 320.342 5.466 40 30 DKEBRN COc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000000524312 563264755 /nfs/dbraw/zinc/26/47/55/563264755.db2.gz ZKEZPEHRLRFUQA-QNGOZBTKSA-N 0 0 303.361 5.238 40 30 DKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(C)cc(Cl)c1O ZINC000000568753 563866054 /nfs/dbraw/zinc/86/60/54/563866054.db2.gz OGJOKSWROMOTGF-AYPRBGQRSA-N 0 0 301.817 5.618 40 30 DKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(C)cc(Cl)c1O ZINC000000568755 563866303 /nfs/dbraw/zinc/86/63/03/563866303.db2.gz OGJOKSWROMOTGF-HSWQHBDASA-N 0 0 301.817 5.618 40 30 DKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc(OC)c1O ZINC000000568962 563866351 /nfs/dbraw/zinc/86/63/51/563866351.db2.gz ZBEHOLCAJPNYNX-ZICWZVMQSA-N 0 0 317.816 5.318 40 30 DKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc(OC)c1O ZINC000000568964 563866299 /nfs/dbraw/zinc/86/62/99/563866299.db2.gz ZBEHOLCAJPNYNX-DQAKUKQTSA-N 0 0 317.816 5.318 40 30 DKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc(C)c1O ZINC000000568997 563866130 /nfs/dbraw/zinc/86/61/30/563866130.db2.gz KKDYMRXVFHUCDX-ZICWZVMQSA-N 0 0 301.817 5.618 40 30 DKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc(C)c1O ZINC000000568999 563865999 /nfs/dbraw/zinc/86/59/99/563865999.db2.gz KKDYMRXVFHUCDX-DQAKUKQTSA-N 0 0 301.817 5.618 40 30 DKEBRN C=CCn1c2ccccc2nc1COc1ccc(C(C)(C)C)cc1 ZINC000000572456 563840479 /nfs/dbraw/zinc/84/04/79/563840479.db2.gz QDLUFZKLYCJERO-UHFFFAOYSA-N 0 0 320.436 5.099 40 30 DKEBRN COc1ccc2ccccc2c1/C=N/c1ccccc1C(C)(C)C ZINC000001105040 180846793 /nfs/dbraw/zinc/84/67/93/180846793.db2.gz CUFSXUVVHSONOU-HZHRSRAPSA-N 0 0 317.432 5.897 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)c(C)c1 ZINC000001229090 563633508 /nfs/dbraw/zinc/63/35/08/563633508.db2.gz QBKVOAGXSFRFNA-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1C ZINC000001229117 563633527 /nfs/dbraw/zinc/63/35/27/563633527.db2.gz XKJBMPGWEJBHJA-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN C=C1CC[C@@H]2C[C@H]1[C@@H](c1ccc(C)cc1)O[C@]2(C)CC=C(C)C ZINC000001321652 563841097 /nfs/dbraw/zinc/84/10/97/563841097.db2.gz WKGNFUTUIDWFSK-GXRSIYKFSA-N 0 0 310.481 6.154 40 30 DKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C)cc1C ZINC000001455113 180867892 /nfs/dbraw/zinc/86/78/92/180867892.db2.gz KMNDRHKCWBQFJW-UHFFFAOYSA-O 0 0 321.469 5.249 40 30 DKEBRN CC(C)=CCCC(C)=CC=C1C(=O)c2ccccc2C(=O)C1C ZINC000001532757 180871485 /nfs/dbraw/zinc/87/14/85/180871485.db2.gz PTWSIIUEOFZCHW-NTCAYCPXSA-N 0 0 308.421 5.465 40 30 in-vitro DKEBRN CCCCCCCCCCCCn1cnc2ncnc(Cl)c21 ZINC000001558159 563284890 /nfs/dbraw/zinc/28/48/90/563284890.db2.gz FJCBTPPWURCTFG-UHFFFAOYSA-N 0 0 322.884 5.401 40 30 DKEBRN N#C[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000001564943 568412220 /nfs/dbraw/zinc/41/22/20/568412220.db2.gz SIORBSHGXYTPIV-FQEVSTJZSA-N 0 0 317.819 5.779 40 30 DKEBRN O=C1c2cc(Cl)ccc2C(c2ccccc2)=C1c1ccccc1 ZINC000001570041 563285621 /nfs/dbraw/zinc/28/56/21/563285621.db2.gz JPTQZMHFJFHRMI-UHFFFAOYSA-N 0 0 316.787 5.495 40 30 DKEBRN CCCCCCC(=O)/C=C/c1cccc(OCc2ccccc2)c1 ZINC000001575869 563285550 /nfs/dbraw/zinc/28/55/50/563285550.db2.gz CZHBCOLSEOTYMA-FOCLMDBBSA-N 0 0 322.448 5.818 40 30 DKEBRN O=C1C=CC(=C(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000001593391 563620820 /nfs/dbraw/zinc/62/08/20/563620820.db2.gz NVFDCMZCQVQUMQ-UHFFFAOYSA-N 0 0 308.380 5.398 40 30 DKEBRN CCCCCCCC[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001595267 257231371 /nfs/dbraw/zinc/23/13/71/257231371.db2.gz BZSHZPOAKSMPBL-OAQYLSRUSA-N 0 0 323.480 5.561 40 30 DKEBRN CCCCCCCCCc1ccc(OC(=O)c2ccccc2)cc1 ZINC000001595713 180877270 /nfs/dbraw/zinc/87/72/70/180877270.db2.gz UHNDOFZFNNZFIW-UHFFFAOYSA-N 0 0 324.464 6.199 40 30 DKEBRN O=C(/C=C/c1ccccc1Cl)/C=C/c1ccccc1Cl ZINC000001596353 563286789 /nfs/dbraw/zinc/28/67/89/563286789.db2.gz OZBIBYIDJNVAOQ-WGDLNXRISA-N 0 0 303.188 5.289 40 30 DKEBRN CCCCCCC[C@@](C)(O)C#C[C@](C)(O)CCCCCCC ZINC000001596833 563286922 /nfs/dbraw/zinc/28/69/22/563286922.db2.gz YQZDQYQFVQTSLL-WOJBJXKFSA-N 0 0 310.522 5.213 40 30 DKEBRN CCCCCCC[C@](C)(O)C#C[C@@](C)(O)CCCCCCC ZINC000001596834 563286856 /nfs/dbraw/zinc/28/68/56/563286856.db2.gz YQZDQYQFVQTSLL-PMACEKPBSA-N 0 0 310.522 5.213 40 30 DKEBRN C(=N/N=C(c1ccccc1)c1ccccc1)\c1ccc2c(c1)CCC2 ZINC000001596995 563286712 /nfs/dbraw/zinc/28/67/12/563286712.db2.gz JREJFYNMDUGYKV-JJIBRWJFSA-N 0 0 324.427 5.047 40 30 DKEBRN CCCCCCCCCCOCc1cc(N(C)C)ccc1C ZINC000001600464 257231325 /nfs/dbraw/zinc/23/13/25/257231325.db2.gz NKFXQLIDERKRPS-UHFFFAOYSA-N 0 0 305.506 5.718 40 30 DKEBRN CSc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 ZINC000001602277 563287330 /nfs/dbraw/zinc/28/73/30/563287330.db2.gz QBEGPMSZCUKVFK-UHFFFAOYSA-N 0 0 315.441 5.842 40 30 DKEBRN CCCCCCCCCCCOC(=O)c1ccc(Cl)cc1 ZINC000001602782 563287670 /nfs/dbraw/zinc/28/76/70/563287670.db2.gz MEWVVEWZGJOCOB-UHFFFAOYSA-N 0 0 310.865 6.028 40 30 DKEBRN CCCC[C@@]1(C#Cc2ccccc2)Sc2ccccc2N1C ZINC000001610003 563842035 /nfs/dbraw/zinc/84/20/35/563842035.db2.gz GPJDZTJUFRETMM-FQEVSTJZSA-N 0 0 307.462 5.167 40 30 DKEBRN CCCCCC#C[C@@H](C)OC(=O)Nc1cccc2ccccc21 ZINC000001610594 563841999 /nfs/dbraw/zinc/84/19/99/563841999.db2.gz KHTYYUDNHWACKJ-MRXNPFEDSA-N 0 0 309.409 5.361 40 30 DKEBRN C=C1CCC[C@@H]2[C@@](C)(Cc3cc(O)ccc3O)[C@H](C)CC[C@]12C ZINC000001612346 563875090 /nfs/dbraw/zinc/87/50/90/563875090.db2.gz FBMAHDGTCDISLJ-QAJUQPOASA-N 0 0 314.469 5.439 40 30 DKEBRN CCCCCCCCCCCCn1cnc2ccccc2c1=O ZINC000001621261 520015292 /nfs/dbraw/zinc/01/52/92/520015292.db2.gz CCWGFWIRWICNEG-UHFFFAOYSA-N 0 0 314.473 5.317 40 30 DKEBRN O=C1CC(=C(c2ccccc2)c2ccccc2)c2ccccc2C1=O ZINC000001634073 563288885 /nfs/dbraw/zinc/28/88/85/563288885.db2.gz GVZLFTZMDMEHEL-UHFFFAOYSA-N 0 0 324.379 5.284 40 30 DKEBRN N#CCC[C@]1(c2ccccc2)CCC/C(=C\c2ccccc2)C1=O ZINC000001637864 180882370 /nfs/dbraw/zinc/88/23/70/180882370.db2.gz HFVROWTXMAFYPY-JCBINSKWSA-N 0 0 315.416 5.065 40 30 DKEBRN N#CCC[C@@]1(c2ccccc2)CCC/C(=C\c2ccccc2)C1=O ZINC000001637866 563288843 /nfs/dbraw/zinc/28/88/43/563288843.db2.gz HFVROWTXMAFYPY-IBBQJSRESA-N 0 0 315.416 5.065 40 30 DKEBRN CCCCCCCCCNC(=O)Nc1cccc(Cl)c1C ZINC000001640300 520027707 /nfs/dbraw/zinc/02/77/07/520027707.db2.gz NZLOPRAOXSTJEB-UHFFFAOYSA-N 0 0 310.869 5.521 40 30 DKEBRN N#Cc1c(=S)[nH]c2c(c1-c1cccc3ccccc31)CCCC2 ZINC000001642069 563863589 /nfs/dbraw/zinc/86/35/89/563863589.db2.gz PVYNNTFIYUGFGL-UHFFFAOYSA-N 0 0 316.429 5.315 40 30 DKEBRN N#Cc1c(=S)sc(-c2ccccc2)nc1-c1ccccc1 ZINC000001650178 563864341 /nfs/dbraw/zinc/86/43/41/563864341.db2.gz HQNLXLXJLZRUHZ-UHFFFAOYSA-N 0 0 306.415 5.078 40 30 DKEBRN C=CCc1cc(Cl)ccc1OC(=O)Nc1cccc(Cl)c1 ZINC000001655914 563841159 /nfs/dbraw/zinc/84/11/59/563841159.db2.gz AWYNNRMBIJCSNN-UHFFFAOYSA-N 0 0 322.191 5.333 40 30 DKEBRN O=C(C[C@@H](C#Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000001660011 563842048 /nfs/dbraw/zinc/84/20/48/563842048.db2.gz ZLSKVFIDDXHSHU-JOCHJYFZSA-N 0 0 310.396 5.095 40 30 DKEBRN C(#Cc1ccccc1)/C=C/C(=C/c1ccccc1)c1ccccc1 ZINC000001664277 563841845 /nfs/dbraw/zinc/84/18/45/563841845.db2.gz BBWSFFRSSUEGSH-PYQPORAUSA-N 0 0 306.408 5.835 40 30 DKEBRN C=CCOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001668378 563841140 /nfs/dbraw/zinc/84/11/40/563841140.db2.gz AQLVKMXNZBBWJI-UHFFFAOYSA-N 0 0 306.403 5.518 40 30 DKEBRN O=C1/C(=C/c2ccccc2)[C@@H]2CC[C@@H](C2)/C1=C/c1ccccc1 ZINC000001669115 563289960 /nfs/dbraw/zinc/28/99/60/563289960.db2.gz FOJRXHSPXSKMCT-HFKUPBEDSA-N 0 0 300.401 5.153 40 30 DKEBRN CCCCCCCCCCOC(c1ccccc1)c1ccccc1 ZINC000001670372 563290566 /nfs/dbraw/zinc/29/05/66/563290566.db2.gz JPGUFVQOHUXBFC-UHFFFAOYSA-N 0 0 324.508 6.933 40 30 DKEBRN CCCCCCCCCCCC/N=C/c1cc(Cl)ccc1O ZINC000001677109 519986420 /nfs/dbraw/zinc/98/64/20/519986420.db2.gz NQIIYWDFCPFKQV-LTGZKZEYSA-N 0 0 323.908 6.385 40 30 DKEBRN C=Nc1ccc2ccccc2c1Cc1c(O)ccc2ccccc21 ZINC000001679835 563290330 /nfs/dbraw/zinc/29/03/30/563290330.db2.gz ANCIBMWETFMZNR-UHFFFAOYSA-N 0 0 311.384 5.622 40 30 DKEBRN C=CCCCCCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000001685801 563841791 /nfs/dbraw/zinc/84/17/91/563841791.db2.gz ILGGOHOECHEENX-UHFFFAOYSA-N 0 0 315.668 5.207 40 30 DKEBRN CCCCCCCCSC(=O)Nc1cccc2ccccc21 ZINC000001692461 520045077 /nfs/dbraw/zinc/04/50/77/520045077.db2.gz GCJOSKDTUDHFKB-UHFFFAOYSA-N 0 0 315.482 6.465 40 30 DKEBRN CCCCCCCCCCCCn1c(C)nc2ccccc21 ZINC000001700312 520015161 /nfs/dbraw/zinc/01/51/61/520015161.db2.gz QNJSLGVACNYYIX-UHFFFAOYSA-N 0 0 300.490 6.266 40 30 DKEBRN CCCCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001700351 520053683 /nfs/dbraw/zinc/05/36/83/520053683.db2.gz LOQMQPWRVINQQX-UHFFFAOYSA-N 0 0 303.233 5.085 40 30 DKEBRN N#CCCCC(CCCC#N)(c1ccccc1)c1ccccc1 ZINC000001707318 526442987 /nfs/dbraw/zinc/44/29/87/526442987.db2.gz VTLZJNIPQRYPAC-UHFFFAOYSA-N 0 0 302.421 5.360 40 30 DKEBRN CCN(CC#N)c1ccc(Nc2cc(Cl)ccc2Cl)cc1 ZINC000001709600 180890645 /nfs/dbraw/zinc/89/06/45/180890645.db2.gz QSEPLVZHMHMTCQ-UHFFFAOYSA-N 0 0 320.223 5.087 40 30 DKEBRN Clc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710128 563292714 /nfs/dbraw/zinc/29/27/14/563292714.db2.gz PSBAUXMLPGBSCL-LPYMAVHISA-N 0 0 316.791 5.192 40 30 DKEBRN C(=N/N=C1c2ccccc2-c2ccccc21)\c1c[nH]c2ccccc12 ZINC000001710205 563292721 /nfs/dbraw/zinc/29/27/21/563292721.db2.gz YKJRZTJCVQULNJ-ZVHZXABRSA-N 0 0 321.383 5.020 40 30 DKEBRN CC[C@@H](c1ccc(N(C)C)cc1)[C@](C#N)(CC)c1ccccc1 ZINC000001717623 180890923 /nfs/dbraw/zinc/89/09/23/180890923.db2.gz IJIHFCZMBKWKEN-SFTDATJTSA-N 0 0 306.453 5.118 40 30 DKEBRN CC[C@H](c1ccc(N(C)C)cc1)[C@](C#N)(CC)c1ccccc1 ZINC000001717624 563293337 /nfs/dbraw/zinc/29/33/37/563293337.db2.gz IJIHFCZMBKWKEN-RTWAWAEBSA-N 0 0 306.453 5.118 40 30 DKEBRN CC[C@@H](c1ccc(N(C)C)cc1)[C@@](C#N)(CC)c1ccccc1 ZINC000001717625 563293266 /nfs/dbraw/zinc/29/32/66/563293266.db2.gz IJIHFCZMBKWKEN-LEWJYISDSA-N 0 0 306.453 5.118 40 30 DKEBRN CC[C@H](c1ccc(N(C)C)cc1)[C@@](C#N)(CC)c1ccccc1 ZINC000001717626 563293298 /nfs/dbraw/zinc/29/32/98/563293298.db2.gz IJIHFCZMBKWKEN-NHCUHLMSSA-N 0 0 306.453 5.118 40 30 DKEBRN CC1(C)C(=NC2CCCCC2)C(C)(C)C1=NC1CCCCC1 ZINC000001718066 563293340 /nfs/dbraw/zinc/29/33/40/563293340.db2.gz HNLKPFJQXCHRAT-UHFFFAOYSA-N 0 0 302.506 5.600 40 30 DKEBRN N#Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000001718745 563866354 /nfs/dbraw/zinc/86/63/54/563866354.db2.gz LRUBUISFVNHUBS-UHFFFAOYSA-N 0 0 320.395 5.887 40 30 DKEBRN N#CC12CCCCC1C1(C#N)CCCCC1C1(C#N)CCCCC21 ZINC000001719836 563895765 /nfs/dbraw/zinc/89/57/65/563895765.db2.gz RPYCTZWVDDQMJL-UHFFFAOYSA-N 0 0 321.468 5.101 40 30 DKEBRN N#CC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 ZINC000001723194 526429951 /nfs/dbraw/zinc/42/99/51/526429951.db2.gz JKENZJAHUWCPAP-UHFFFAOYSA-N 0 0 311.428 5.224 40 30 DKEBRN c1ccc2c(c1)-c1ccccc1C2=Nc1ccc2ccccc2c1 ZINC000001724456 180892178 /nfs/dbraw/zinc/89/21/78/180892178.db2.gz HJQNIVDFRWUTNB-UHFFFAOYSA-N 0 0 305.380 5.989 40 30 DKEBRN CCCCCCCCCCCCOc1ccc2ccccc2c1 ZINC000001729195 563293999 /nfs/dbraw/zinc/29/39/99/563293999.db2.gz SGZSHWXSWILTIG-UHFFFAOYSA-N 0 0 312.497 7.140 40 30 DKEBRN CCCCCCCCCCSc1ccc2ccccc2c1 ZINC000001729196 563293947 /nfs/dbraw/zinc/29/39/47/563293947.db2.gz SFPOHBBPPZGXNU-UHFFFAOYSA-N 0 0 300.511 7.073 40 30 DKEBRN CCCCCCCCCCCSc1ccc2ccccc2c1 ZINC000001729197 563294015 /nfs/dbraw/zinc/29/40/15/563294015.db2.gz HRZUGKGXYGEJRG-UHFFFAOYSA-N 0 0 314.538 7.463 40 30 DKEBRN O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000001730337 331467652 /nfs/dbraw/zinc/46/76/52/331467652.db2.gz DCJNDPYNKZKGNL-DNQXCXABSA-N 0 0 324.423 5.610 40 30 DKEBRN O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)C1 ZINC000001730338 331467689 /nfs/dbraw/zinc/46/76/89/331467689.db2.gz DCJNDPYNKZKGNL-BJKOFHAPSA-N 0 0 324.423 5.610 40 30 DKEBRN O=C1C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000001730339 331467739 /nfs/dbraw/zinc/46/77/39/331467739.db2.gz DCJNDPYNKZKGNL-RPWUZVMVSA-N 0 0 324.423 5.610 40 30 DKEBRN O=C1C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 ZINC000001730340 563293875 /nfs/dbraw/zinc/29/38/75/563293875.db2.gz DCJNDPYNKZKGNL-ZEQRLZLVSA-N 0 0 324.423 5.610 40 30 DKEBRN C(=N/N1CCCCCC1)\c1c2ccccc2cc2ccccc21 ZINC000001730495 563293988 /nfs/dbraw/zinc/29/39/88/563293988.db2.gz IXMITNGOAMSDRH-CJLVFECKSA-N 0 0 302.421 5.203 40 30 DKEBRN C#CCSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001732106 563841767 /nfs/dbraw/zinc/84/17/67/563841767.db2.gz HHQADIOZIVJTOS-UHFFFAOYSA-N 0 0 320.455 5.679 40 30 DKEBRN CCCCCCCCCCOc1ccc(Cl)cc1Cl ZINC000001732351 563293997 /nfs/dbraw/zinc/29/39/97/563293997.db2.gz PCIMUOSXKOWDPO-UHFFFAOYSA-N 0 0 303.273 6.513 40 30 DKEBRN CCCCCCCCCCCOc1ccc(Cl)cc1Cl ZINC000001732352 563293945 /nfs/dbraw/zinc/29/39/45/563293945.db2.gz RXFOZKSCZVPZIE-UHFFFAOYSA-N 0 0 317.300 6.903 40 30 DKEBRN CCCCCCCCCC1=NC(C)(C)CN1c1ccccc1 ZINC000001768294 563295053 /nfs/dbraw/zinc/29/50/53/563295053.db2.gz WXPQGTJXMUKMFT-UHFFFAOYSA-N 0 0 300.490 5.824 40 30 DKEBRN N#C[C@H](c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000002027476 563298192 /nfs/dbraw/zinc/29/81/92/563298192.db2.gz SIORBSHGXYTPIV-HXUWFJFHSA-N 0 0 317.819 5.779 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1Cl ZINC000002160229 563300780 /nfs/dbraw/zinc/30/07/80/563300780.db2.gz XKCAZLOMMZNJGR-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN FC(F)(F)c1cccc(/N=C/c2c(Cl)cccc2Cl)c1 ZINC000002170359 331469033 /nfs/dbraw/zinc/46/90/33/331469033.db2.gz NVJMOSATGDSLOB-DNTJNYDQSA-N 0 0 318.125 5.763 40 30 DKEBRN C=C(C[C@@H](CCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000002381600 331469841 /nfs/dbraw/zinc/46/98/41/331469841.db2.gz VTFWGFWAVPVIAA-XMMPIXPASA-N 0 0 312.456 6.507 40 30 endogenous,in-man DKEBRN CCCCCCCCCCNc1cc2[nH]ccc2c(CO)c1 ZINC000002504604 563304359 /nfs/dbraw/zinc/30/43/59/563304359.db2.gz CHLOVPDKABYEDC-UHFFFAOYSA-N 0 0 302.462 5.213 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Sc2c(Cl)cccc2Cl)cc1 ZINC000002556044 563939037 /nfs/dbraw/zinc/93/90/37/563939037.db2.gz SJAQWDUYYJCRHC-MDZDMXLPSA-N 0 0 323.244 5.791 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Sc2nc3ccccc3s2)cc1 ZINC000002557661 563939021 /nfs/dbraw/zinc/93/90/21/563939021.db2.gz XUZWRUOXZLJBCN-ZHACJKMWSA-N 0 0 311.431 5.093 40 30 DKEBRN N#Cc1c2c(c(C#N)c3ccccc13)-c1cccc3cccc-2c13 ZINC000002559053 180935133 /nfs/dbraw/zinc/93/51/33/180935133.db2.gz OIELEHOHWKWREL-UHFFFAOYSA-N 0 0 302.336 5.384 40 30 DKEBRN CC#Cc1cc(C2CCCCC2)c(C#CC)cc1C1CCCCC1 ZINC000002563930 180935984 /nfs/dbraw/zinc/93/59/84/180935984.db2.gz NWICGNAQQCRZNV-UHFFFAOYSA-N 0 0 318.504 6.525 40 30 DKEBRN FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(Cl)cc1 ZINC000002566898 180935965 /nfs/dbraw/zinc/93/59/65/180935965.db2.gz WYFFXBWREWRHOD-UHFFFAOYSA-N 0 0 312.637 5.223 40 30 DKEBRN CCCCCCCCCCCC(=O)c1ccc(C(C)C)cc1 ZINC000002572894 331471165 /nfs/dbraw/zinc/47/11/65/331471165.db2.gz UONCXIZCOBPNGB-UHFFFAOYSA-N 0 0 302.502 6.914 40 30 DKEBRN CCCCCCCCc1ccc(/N=C/c2ccccc2O)cc1 ZINC000002572994 563939407 /nfs/dbraw/zinc/93/94/07/563939407.db2.gz BFSGFSNZSFJPCV-OQKWZONESA-N 0 0 309.453 6.046 40 30 DKEBRN CCCCCCCCC(=O)Oc1c[nH]c2cc(Cl)ccc12 ZINC000002583762 331471171 /nfs/dbraw/zinc/47/11/71/331471171.db2.gz STALAAUKINVVQO-UHFFFAOYSA-N 0 0 307.821 5.477 40 30 DKEBRN CCCCCCCCCCC(=O)c1ccccc1C(=O)OC ZINC000003033144 519981888 /nfs/dbraw/zinc/98/18/88/519981888.db2.gz NTWWVDBUEYNOPT-UHFFFAOYSA-N 0 0 304.430 5.187 40 30 DKEBRN CCCCCCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000003098843 520033650 /nfs/dbraw/zinc/03/36/50/520033650.db2.gz DGIZAFVJCRFCTL-UHFFFAOYSA-N 0 0 317.260 5.475 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000003114515 563942246 /nfs/dbraw/zinc/94/22/46/563942246.db2.gz POMNAAHXFYUVDA-ZVHZXABRSA-N 0 0 323.395 5.548 40 30 DKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1cccc2ccccc12 ZINC000003118234 563635948 /nfs/dbraw/zinc/63/59/48/563635948.db2.gz AHNQYJNFCIUZGP-JJIBRWJFSA-N 0 0 323.395 6.383 40 30 DKEBRN Cc1cc(O/C=C/C(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000003120686 563942317 /nfs/dbraw/zinc/94/23/17/563942317.db2.gz UYLRHBOXMNBVFA-CMDGGOBGSA-N 0 0 307.176 5.077 40 30 DKEBRN O=C(/C=C/Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000003126130 180983234 /nfs/dbraw/zinc/98/32/34/180983234.db2.gz SNMZLAXPORJLLE-CMDGGOBGSA-N 0 0 309.217 5.482 40 30 DKEBRN C=C(C)C[C@H]1C[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000003127722 563635923 /nfs/dbraw/zinc/63/59/23/563635923.db2.gz GHHYZDXRSWWGNV-JWIWCRNMSA-N 0 0 314.428 5.065 40 30 DKEBRN CCCCCCCCCc1cc2ccccc2c2ccccc12 ZINC000003132175 520030656 /nfs/dbraw/zinc/03/06/56/520030656.db2.gz ZCLFNENYAUUAFA-UHFFFAOYSA-N 0 0 304.477 7.286 40 30 DKEBRN O=C(/C=C/c1ccccc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000003145735 180985470 /nfs/dbraw/zinc/98/54/70/180985470.db2.gz HLSUQENPAUVYHA-KPVZXIRVSA-N 0 0 310.396 5.510 40 30 DKEBRN Cc1ccc(O)c(/C=N/c2ccc(NC3CCCCC3)cc2)c1 ZINC000003148716 563942540 /nfs/dbraw/zinc/94/25/40/563942540.db2.gz HWPQYQHYMCAPET-KGENOOAVSA-N 0 0 308.425 5.196 40 30 DKEBRN COc1ccc(/C=N/c2ccc(NC3CCCCC3)cc2)cc1 ZINC000003148718 563942519 /nfs/dbraw/zinc/94/25/19/563942519.db2.gz WHCAKYLDMBQOBL-RCCKNPSSSA-N 0 0 308.425 5.190 40 30 DKEBRN CCCCCCCCOc1ccccc1CNc1ccccc1 ZINC000003149709 520046254 /nfs/dbraw/zinc/04/62/54/520046254.db2.gz VLPXXHHMQVOQAM-UHFFFAOYSA-N 0 0 311.469 6.038 40 30 DKEBRN CCCCCCCC[C@@H](C)[P@@](=O)(CCCC)c1ccccc1 ZINC000003151907 563942492 /nfs/dbraw/zinc/94/24/92/563942492.db2.gz VMURADZEFNJWGI-KNQAVFIVSA-N 0 0 322.473 6.614 40 30 DKEBRN CCCCCCCC[C@H](C)[P@@](=O)(CCCC)c1ccccc1 ZINC000003151908 563942554 /nfs/dbraw/zinc/94/25/54/563942554.db2.gz VMURADZEFNJWGI-UGKGYDQZSA-N 0 0 322.473 6.614 40 30 DKEBRN CCCCCCCC[C@@H](C)[P@](=O)(CCCC)c1ccccc1 ZINC000003151909 563942481 /nfs/dbraw/zinc/94/24/81/563942481.db2.gz VMURADZEFNJWGI-DENIHFKCSA-N 0 0 322.473 6.614 40 30 DKEBRN CCCCCCCC[C@H](C)[P@](=O)(CCCC)c1ccccc1 ZINC000003151910 180987007 /nfs/dbraw/zinc/98/70/07/180987007.db2.gz VMURADZEFNJWGI-SIKLNZKXSA-N 0 0 322.473 6.614 40 30 DKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4ccco4)cc3)sc2c1 ZINC000003152312 563323153 /nfs/dbraw/zinc/32/31/53/563323153.db2.gz PMKDCAGCSVGSNP-UDWIEESQSA-N 0 0 318.401 5.615 40 30 DKEBRN COc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000003152719 563942459 /nfs/dbraw/zinc/94/24/59/563942459.db2.gz AZXKCUWKGQCADU-UDWIEESQSA-N 0 0 311.768 5.359 40 30 DKEBRN CCOc1ccc(/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1 ZINC000003185179 180989859 /nfs/dbraw/zinc/98/98/59/180989859.db2.gz PXHUEJKVEQLIQW-WOFUFUJRSA-N 0 0 320.436 5.099 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccccc1 ZINC000003193112 180990052 /nfs/dbraw/zinc/99/00/52/180990052.db2.gz ICOHQFVBLXZYSI-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN CCCC[C@@H]1CCC(c2ccc(C3CCCCC3)cc2)=CC1=O ZINC000003193207 563323182 /nfs/dbraw/zinc/32/31/82/563323182.db2.gz YGLFYMYRQVZDOV-HXUWFJFHSA-N 0 0 310.481 6.287 40 30 DKEBRN CCCCCCCC(=O)c1sc(Cl)c(Cl)c1Cl ZINC000003208094 563799251 /nfs/dbraw/zinc/79/92/51/563799251.db2.gz GYBFVLVVPJQATD-UHFFFAOYSA-N 0 0 313.677 6.252 40 30 DKEBRN CC(=NNc1ccc2ccccc2n1)c1ccc2ccccc2c1 ZINC000004062452 181068560 /nfs/dbraw/zinc/06/85/60/181068560.db2.gz ZUCSMUVLBYBTSX-HAHDFKILSA-N 0 0 311.388 5.224 40 30 DKEBRN Clc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000004175837 181082021 /nfs/dbraw/zinc/08/20/21/181082021.db2.gz DODPHFHLGDVPDB-BZROTZBESA-N 0 0 319.795 6.506 40 30 DKEBRN Cc1ccc(NC=C(C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004235466 563326936 /nfs/dbraw/zinc/32/69/36/563326936.db2.gz SEHZKAOWSBIPFX-PGMHBOJBSA-N 0 0 313.400 5.331 40 30 DKEBRN C=C(C)CCC[C@H](C)CCN(/N=C(\C)CC)c1ccccc1 ZINC000004266405 181090085 /nfs/dbraw/zinc/09/00/85/181090085.db2.gz VEWYJIFZRRHJQD-LDSGZGKSSA-N 0 0 300.490 6.052 40 30 DKEBRN C=C(C)CCC[C@@H](C)CCN(/N=C(\C)CC)c1ccccc1 ZINC000004266407 181090069 /nfs/dbraw/zinc/09/00/69/181090069.db2.gz VEWYJIFZRRHJQD-BWVDKLOVSA-N 0 0 300.490 6.052 40 30 DKEBRN O=C(C(=CNc1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000004267357 181090183 /nfs/dbraw/zinc/09/01/83/181090183.db2.gz AFJCNJQETNWVQK-HKWRFOASSA-N 0 0 317.363 5.162 40 30 DKEBRN Cc1cc(C(=O)/C=C/c2c(F)cccc2Cl)ccc1Cl ZINC000004276752 181091382 /nfs/dbraw/zinc/09/13/82/181091382.db2.gz GNGXZQIBNVGQAL-SOFGYWHQSA-N 0 0 309.167 5.337 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000004280535 181092325 /nfs/dbraw/zinc/09/23/25/181092325.db2.gz GOBDEDKAAMHGLN-CCEZHUSRSA-N 0 0 322.407 6.198 40 30 DKEBRN CCO/N=C(\C)c1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000004280781 181092506 /nfs/dbraw/zinc/09/25/06/181092506.db2.gz MACITGRNTOHYDU-VXLYETTFSA-N 0 0 313.344 5.194 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(F)cc1 ZINC000004284505 181093183 /nfs/dbraw/zinc/09/31/83/181093183.db2.gz WQNHNDQGSYGWHA-OUKQBFOZSA-N 0 0 320.363 5.274 40 30 DKEBRN O=C(/C=C/c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000004292880 181093790 /nfs/dbraw/zinc/09/37/90/181093790.db2.gz KVHPQSLLACRXKD-GXDHUFHOSA-N 0 0 308.380 5.889 40 30 DKEBRN CSC(=Nc1ccc(N=C(SC)SC)cc1)SC ZINC000004293389 181093465 /nfs/dbraw/zinc/09/34/65/181093465.db2.gz UNMKOMPXBQDVFU-UHFFFAOYSA-N 0 0 316.542 5.114 40 30 DKEBRN C=CCCCCCCCCC(=O)CCCCCCCCC=C ZINC000004353043 181102065 /nfs/dbraw/zinc/10/20/65/181102065.db2.gz ZESIVAZXTCESRN-UHFFFAOYSA-N 0 0 306.534 7.169 40 30 DKEBRN CC(=O)c1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C#N)CCC[C@]21C ZINC000004403830 518293624 /nfs/dbraw/zinc/29/36/24/518293624.db2.gz RPSVTEGZYQRWAE-FDFHNCONSA-N 0 0 323.480 5.546 40 30 DKEBRN C=CCCCCCCCCC1OCC(CC)(CCCC)CO1 ZINC000004429321 181108772 /nfs/dbraw/zinc/10/87/72/181108772.db2.gz XZUARCVRZHFFOH-UHFFFAOYSA-N 0 0 310.522 6.253 40 30 DKEBRN CCc1ccc(OCC[C@H](CC)CC[C@H]2O[C@]2(C)CC)cc1 ZINC000004521476 181119356 /nfs/dbraw/zinc/11/93/56/181119356.db2.gz YHDXOFFTMOZZPE-MISYRCLQSA-N 0 0 304.474 5.392 40 30 DKEBRN CCc1ccc(OCC[C@H](CC)CC[C@@H]2O[C@]2(C)CC)cc1 ZINC000004521478 181119849 /nfs/dbraw/zinc/11/98/49/181119849.db2.gz YHDXOFFTMOZZPE-YZGWKJHDSA-N 0 0 304.474 5.392 40 30 DKEBRN CCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C)cc1 ZINC000004530199 563921076 /nfs/dbraw/zinc/92/10/76/563921076.db2.gz HZMGSLGTEKJQAG-REFHYZJKSA-N 0 0 323.425 5.524 40 30 DKEBRN O=C(/C=C/c1sc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000004610375 181129134 /nfs/dbraw/zinc/12/91/34/181129134.db2.gz QFBFBQRYBBDGKF-VOTSOKGWSA-N 0 0 317.624 5.604 40 30 DKEBRN Cc1ccccc1NN=Cc1ccc(-c2cc(Cl)ccc2C)o1 ZINC000004611440 181129228 /nfs/dbraw/zinc/12/92/28/181129228.db2.gz WRGFKBAONYQGCP-CIAFOILYSA-N 0 0 324.811 5.663 40 30 DKEBRN CC(C)(C)/C(=N/Sc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000004713257 181140914 /nfs/dbraw/zinc/14/09/14/181140914.db2.gz JABPUQOEDKVXGZ-FBMGVBCBSA-N 0 0 314.410 5.137 40 30 DKEBRN O=C1c2ccccc2S/C1=C/c1cccc(C(F)(F)F)c1 ZINC000004714202 181140896 /nfs/dbraw/zinc/14/08/96/181140896.db2.gz MJQRIUFZXSKWDW-NTEUORMPSA-N 0 0 306.308 5.035 40 30 DKEBRN Clc1ccc(/C(=N/c2ccccc2)Sc2ccccc2)cc1 ZINC000004714746 181140968 /nfs/dbraw/zinc/14/09/68/181140968.db2.gz IDXFOLDMJSVQNW-VZCXRCSSSA-N 0 0 323.848 6.211 40 30 DKEBRN O=C(/C(Cl)=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004722932 181142279 /nfs/dbraw/zinc/14/22/79/181142279.db2.gz JEJKHLOVEXYACF-ZROIWOOFSA-N 0 0 311.595 5.456 40 30 DKEBRN Cc1ccc(Sc2ccc(C=NNc3ccccc3)o2)cc1 ZINC000004739258 525670865 /nfs/dbraw/zinc/67/08/65/525670865.db2.gz BVFVSFNGARZRFC-CPNJWEJPSA-N 0 0 308.406 5.185 40 30 DKEBRN C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004742867 181146179 /nfs/dbraw/zinc/14/61/79/181146179.db2.gz WCOUYCPNIMTPFX-OGNRNXDYSA-N 0 0 300.486 5.112 40 30 DKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1cccs1 ZINC000004750969 181148500 /nfs/dbraw/zinc/14/85/00/181148500.db2.gz XBNKWFZHJUMCAR-HYARGMPZSA-N 0 0 321.489 5.967 40 30 DKEBRN N#Cc1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000004774678 181150363 /nfs/dbraw/zinc/15/03/63/181150363.db2.gz ZNOOAKIMCAITOV-WCWDXBQESA-N 0 0 324.387 5.494 40 30 DKEBRN C=C(C)C[C@H]1C[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004775378 181150121 /nfs/dbraw/zinc/15/01/21/181150121.db2.gz GHHYZDXRSWWGNV-YHFYGCRGSA-N 0 0 314.428 5.065 40 30 DKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000004807945 181153660 /nfs/dbraw/zinc/15/36/60/181153660.db2.gz JEQNRICCZJTQDS-CXAGYDPISA-N 0 0 323.358 5.026 40 30 DKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000004807947 181153919 /nfs/dbraw/zinc/15/39/19/181153919.db2.gz JEQNRICCZJTQDS-GUYCJALGSA-N 0 0 323.358 5.026 40 30 DKEBRN S[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000004809262 181154852 /nfs/dbraw/zinc/15/48/52/181154852.db2.gz RVMYDAOOVKCWPY-CYBMUJFWSA-N 0 0 301.625 5.646 40 30 DKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc3ccccc31)C2 ZINC000004810482 181154733 /nfs/dbraw/zinc/15/47/33/181154733.db2.gz MAPMJQWYVPZZFS-IIBYNOLFSA-N 0 0 305.421 5.161 40 30 DKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc3ccccc31)C2 ZINC000004810484 181154441 /nfs/dbraw/zinc/15/44/41/181154441.db2.gz MAPMJQWYVPZZFS-KKSFZXQISA-N 0 0 305.421 5.161 40 30 DKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000004810864 181154501 /nfs/dbraw/zinc/15/45/01/181154501.db2.gz HUSJARBOKVIBMX-PIGZYNQJSA-N 0 0 324.251 5.314 40 30 DKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000004810865 181154410 /nfs/dbraw/zinc/15/44/10/181154410.db2.gz HUSJARBOKVIBMX-GTNSWQLSSA-N 0 0 324.251 5.314 40 30 DKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000004813641 181155445 /nfs/dbraw/zinc/15/54/45/181155445.db2.gz PWMVKYBBUBGPMG-CXAGYDPISA-N 0 0 323.358 5.026 40 30 DKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000004813642 181155302 /nfs/dbraw/zinc/15/53/02/181155302.db2.gz PWMVKYBBUBGPMG-GUYCJALGSA-N 0 0 323.358 5.026 40 30 DKEBRN c1ccc2nc(N=NC3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000004825003 181157328 /nfs/dbraw/zinc/15/73/28/181157328.db2.gz DRTRHLQGQRLALF-HLNJFSBGSA-N 0 0 321.468 5.773 40 30 DKEBRN c1ccc2nc(N=NC3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000004825005 181157311 /nfs/dbraw/zinc/15/73/11/181157311.db2.gz DRTRHLQGQRLALF-FKNXBIFSSA-N 0 0 321.468 5.773 40 30 DKEBRN O=[N+]([O-])c1cccc(/C=N/[C@@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)c1 ZINC000004836981 181160186 /nfs/dbraw/zinc/16/01/86/181160186.db2.gz PLBLXJMHUYUZIW-DRJNORDJSA-N 0 0 324.424 5.073 40 30 DKEBRN O=[N+]([O-])c1ccc(/C=N/[C@H]2[C@@H]3CCC[C@H]2CC2=C3CCCC2)cc1 ZINC000004844003 181161978 /nfs/dbraw/zinc/16/19/78/181161978.db2.gz AGNSXOBSVWJNTP-FWISXMLOSA-N 0 0 324.424 5.073 40 30 DKEBRN O=C(/C=C/c1ccco1)c1ccc(Sc2ccccc2)cc1 ZINC000004866090 527640412 /nfs/dbraw/zinc/64/04/12/527640412.db2.gz CJZHCOYGPMWAEV-JLHYYAGUSA-N 0 0 306.386 5.327 40 30 DKEBRN O=C(/C=C/c1cccs1)c1ccc(Sc2ccccc2)cc1 ZINC000004866092 527642390 /nfs/dbraw/zinc/64/23/90/527642390.db2.gz MCXVIWNDSYVMSR-OUKQBFOZSA-N 0 0 322.454 5.795 40 30 DKEBRN CC1=C(c2ccccc2)Oc2ccccc2[C@@H]1C#Cc1ccccc1 ZINC000004866302 181165911 /nfs/dbraw/zinc/16/59/11/181165911.db2.gz RVVPAXQYIFGEPC-OAQYLSRUSA-N 0 0 322.407 5.646 40 30 DKEBRN CC1=C(c2ccccc2)Oc2ccccc2[C@H]1C#Cc1ccccc1 ZINC000004866303 181165874 /nfs/dbraw/zinc/16/58/74/181165874.db2.gz RVVPAXQYIFGEPC-NRFANRHFSA-N 0 0 322.407 5.646 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1C ZINC000004877760 181167057 /nfs/dbraw/zinc/16/70/57/181167057.db2.gz PYBFSRWDFCOWIE-UHFFFAOYSA-O 0 0 321.469 5.249 40 30 DKEBRN C(=N\N1CCCCCC1)\c1c2ccccc2cc2ccccc21 ZINC000004897136 181169077 /nfs/dbraw/zinc/16/90/77/181169077.db2.gz IXMITNGOAMSDRH-JWGURIENSA-N 0 0 302.421 5.203 40 30 DKEBRN COc1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000004897327 181169579 /nfs/dbraw/zinc/16/95/79/181169579.db2.gz MNESAXRIWTZNSF-SXGWCWSVSA-N 0 0 314.384 5.258 40 30 DKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000004921815 181172882 /nfs/dbraw/zinc/17/28/82/181172882.db2.gz SFFDBSQLEYPYAQ-KEBDBYFISA-N 0 0 312.722 5.195 40 30 DKEBRN Cc1ccc(NN=Cc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000004921948 181173045 /nfs/dbraw/zinc/17/30/45/181173045.db2.gz VZQVYCXNAUXCOJ-AWQFTUOYSA-N 0 0 312.722 5.113 40 30 DKEBRN CC(=NNc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000004923530 181173753 /nfs/dbraw/zinc/17/37/53/181173753.db2.gz WOLSHZSDTXSCOK-OQKWZONESA-N 0 0 300.405 5.498 40 30 DKEBRN Fc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1F ZINC000004923671 526323293 /nfs/dbraw/zinc/32/32/93/526323293.db2.gz MEWRZCLJKGLLQH-OEAKJJBVSA-N 0 0 322.358 5.006 40 30 DKEBRN CCc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)cc1 ZINC000004923692 523873223 /nfs/dbraw/zinc/87/32/23/523873223.db2.gz RWTOIGSBBAEWNF-HAVVHWLPSA-N 0 0 314.432 5.290 40 30 DKEBRN Cc1cccc(NN=Cc2cccc(OCc3ccccc3)c2)c1 ZINC000004923843 181173449 /nfs/dbraw/zinc/17/34/49/181173449.db2.gz SQJHQNMRPMEIHV-PXLXIMEGSA-N 0 0 316.404 5.020 40 30 DKEBRN Cc1[nH]c2ccccc2c1C=NNc1ccc(Cl)c(Cl)c1 ZINC000004926330 181174037 /nfs/dbraw/zinc/17/40/37/181174037.db2.gz IGODJHOUINDPCU-DJKKODMXSA-N 0 0 318.207 5.229 40 30 DKEBRN COc1ccc2cc(C(C)=NNc3cccc(Cl)c3)ccc2c1 ZINC000004933165 181174836 /nfs/dbraw/zinc/17/48/36/181174836.db2.gz WFGHRYNNYVFSQU-FYJGNVAPSA-N 0 0 324.811 5.338 40 30 DKEBRN Cc1ccc(C)c(-c2csc(N=NC(C)c3ccccc3)n2)c1 ZINC000004957160 181178784 /nfs/dbraw/zinc/17/87/84/181178784.db2.gz SOPPUZILDFPQMB-RCCKNPSSSA-N 0 0 321.449 5.263 40 30 DKEBRN C/C(=N/N(Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004974313 181182389 /nfs/dbraw/zinc/18/23/89/181182389.db2.gz TYCJTLXHHNZHBZ-PYCFMQQDSA-N 0 0 300.405 5.117 40 30 DKEBRN Clc1ccccc1/C=N/N(c1ccccc1)c1ccccc1 ZINC000004979756 181183547 /nfs/dbraw/zinc/18/35/47/181183547.db2.gz PFCUQZHPCYXPIH-RCCKNPSSSA-N 0 0 306.796 5.512 40 30 DKEBRN C/C(=C\C(=O)/C=C\c1ccccc1)c1c(C)[nH]c2ccccc21 ZINC000004982866 181183631 /nfs/dbraw/zinc/18/36/31/181183631.db2.gz YTBMDZFTXYXFIM-FSALDASDSA-N 0 0 301.389 5.162 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2cc3cc(C)ccc3nc2Cl)cc1 ZINC000004996882 181187325 /nfs/dbraw/zinc/18/73/25/181187325.db2.gz RWMDFIJCFKTGHG-CSKARUKUSA-N 0 0 321.807 5.401 40 30 DKEBRN Cc1cccc2cc(/C=C/C(=O)c3cccs3)c(Cl)nc12 ZINC000004996886 181187339 /nfs/dbraw/zinc/18/73/39/181187339.db2.gz VKCCDTHQSDYGFU-BQYQJAHWSA-N 0 0 313.809 5.154 40 30 DKEBRN Cc1ccc2nc(Cl)c(/C=C/C(=O)c3cccs3)cc2c1 ZINC000004996888 181187472 /nfs/dbraw/zinc/18/74/72/181187472.db2.gz UYVTVBMVQADYTA-FNORWQNLSA-N 0 0 313.809 5.154 40 30 DKEBRN Cl/C(=N\N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000005003204 181188982 /nfs/dbraw/zinc/18/89/82/181188982.db2.gz QSQWWWNUCMCDCW-VZCXRCSSSA-N 0 0 306.796 5.425 40 30 DKEBRN CCCCCCOc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000005003729 563623613 /nfs/dbraw/zinc/62/36/13/563623613.db2.gz YAJIYJGYBSTDHM-DTQAZKPQSA-N 0 0 308.421 5.542 40 30 DKEBRN Cc1ccccc1N=NC(N=Nc1ccccc1)c1ccccc1 ZINC000005005008 181189097 /nfs/dbraw/zinc/18/90/97/181189097.db2.gz FOZZROKGPVLDMR-VRUPRMQOSA-N 0 0 314.392 5.553 40 30 DKEBRN N#Cc1c(SC2CCCC2)nsc1SC1CCCC1 ZINC000005007447 181189888 /nfs/dbraw/zinc/18/98/88/181189888.db2.gz ZSXWTNPFCLMFLX-UHFFFAOYSA-N 0 0 310.513 5.084 40 30 DKEBRN CC(C)C1=CC2=CC[C@H]3[C@](C)(CCC[C@]3(C)C#N)[C@@H]2C[C@@H]1CC#N ZINC000005022272 181191879 /nfs/dbraw/zinc/19/18/79/181191879.db2.gz NFAAPPFTRQZZTP-IQQJEHGZSA-N 0 0 322.496 5.785 40 30 DKEBRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@]3(C)C#N)[C@@H]2C[C@@H]1CC#N ZINC000005022273 181191870 /nfs/dbraw/zinc/19/18/70/181191870.db2.gz NFAAPPFTRQZZTP-GVJIXFOXSA-N 0 0 322.496 5.785 40 30 DKEBRN CC(C)C1=CC2=CC[C@@H]3[C@](C)(C#N)CCC[C@]3(C)[C@@H]2C[C@@H]1CC#N ZINC000005022274 181191633 /nfs/dbraw/zinc/19/16/33/181191633.db2.gz NFAAPPFTRQZZTP-LOONRQLCSA-N 0 0 322.496 5.785 40 30 DKEBRN CC(C)C1=CC2=CC[C@H]3[C@](C)(C#N)CCC[C@]3(C)[C@@H]2C[C@@H]1CC#N ZINC000005022276 181191913 /nfs/dbraw/zinc/19/19/13/181191913.db2.gz NFAAPPFTRQZZTP-WWOGRVQXSA-N 0 0 322.496 5.785 40 30 DKEBRN CCCCCC(/C=N/N=C\c1ccccc1O)=C/c1ccccc1 ZINC000005030459 181193410 /nfs/dbraw/zinc/19/34/10/181193410.db2.gz SPQAJJPMANNQQH-YBVBZODPSA-N 0 0 320.436 5.461 40 30 DKEBRN C(=C\c1ccccc1)\C=N/N=C1c2ccccc2-c2ccccc21 ZINC000005031709 181194198 /nfs/dbraw/zinc/19/41/98/181194198.db2.gz QTIALTXBSFBWBB-KPNOTMRKSA-N 0 0 308.384 5.204 40 30 DKEBRN C(\CCc1ccccc1)=N\N=C1c2ccccc2-c2ccccc21 ZINC000005031711 181193588 /nfs/dbraw/zinc/19/35/88/181193588.db2.gz VWGYNHHPLDIATC-KQWNVCNZSA-N 0 0 310.400 5.123 40 30 DKEBRN C[C@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000005031715 181193996 /nfs/dbraw/zinc/19/39/96/181193996.db2.gz MWZBPHFMLUFXLG-SVTVQYSDSA-N 0 0 324.427 5.369 40 30 DKEBRN C[C@@H](/C=N\N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000005031718 181193732 /nfs/dbraw/zinc/19/37/32/181193732.db2.gz MWZBPHFMLUFXLG-GIKSKMNSSA-N 0 0 324.427 5.369 40 30 DKEBRN Clc1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)s1 ZINC000005031731 181193857 /nfs/dbraw/zinc/19/38/57/181193857.db2.gz KZAZJZKRVIUSJT-JAIQZWGSSA-N 0 0 322.820 5.253 40 30 DKEBRN C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1CC3 ZINC000005037516 181194807 /nfs/dbraw/zinc/19/48/07/181194807.db2.gz DWTRNJFPDXIFSY-YXEXTMMPSA-N 0 0 316.485 5.129 40 30 biogenic,in-vitro DKEBRN CC1=CC[C@H](C/C=N\N=C\C[C@@H]2CC=C(C)C2(C)C)C1(C)C ZINC000005046448 563329150 /nfs/dbraw/zinc/32/91/50/563329150.db2.gz UVRRNRIPYUMHGA-JEYVERAZSA-N 0 0 300.490 5.808 40 30 DKEBRN O=C1/C(=C/c2ccccc2)[C@@H]2CC[C@@H](C2)/C1=C\c1ccccc1 ZINC000005046464 181196152 /nfs/dbraw/zinc/19/61/52/181196152.db2.gz FOJRXHSPXSKMCT-AXYPHMCMSA-N 0 0 300.401 5.153 40 30 DKEBRN COc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C#N)CCC[C@@]21C ZINC000005103209 181203642 /nfs/dbraw/zinc/20/36/42/181203642.db2.gz VTBVOFFTILGPTK-ACRUOGEOSA-N 0 0 311.469 5.352 40 30 DKEBRN COc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C#N)CCC[C@]21C ZINC000005103210 181203872 /nfs/dbraw/zinc/20/38/72/181203872.db2.gz VTBVOFFTILGPTK-PCCBWWKXSA-N 0 0 311.469 5.352 40 30 DKEBRN COc1cc2c(cc1C(C)C)CC[C@@H]1[C@@]2(C)CCC[C@]1(C)C#N ZINC000005103211 181203946 /nfs/dbraw/zinc/20/39/46/181203946.db2.gz VTBVOFFTILGPTK-HBMCJLEFSA-N 0 0 311.469 5.352 40 30 DKEBRN COc1cc2c(cc1C(C)C)CC[C@H]1[C@@](C)(C#N)CCC[C@]21C ZINC000005103212 181203834 /nfs/dbraw/zinc/20/38/34/181203834.db2.gz VTBVOFFTILGPTK-PWRODBHTSA-N 0 0 311.469 5.352 40 30 DKEBRN C/C(=C\CO)CC/C=C(/C)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000005132176 181207945 /nfs/dbraw/zinc/20/79/45/181207945.db2.gz XCSZPKBSRHYGDR-QFUMBPDVSA-N 0 0 306.490 5.336 40 30 DKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000005159566 181211525 /nfs/dbraw/zinc/21/15/25/181211525.db2.gz XPUCGDUSZRAVLO-WAPJZHGLSA-N 0 0 311.595 5.543 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccccc1Cl ZINC000005174551 563924414 /nfs/dbraw/zinc/92/44/14/563924414.db2.gz DLELTCRQSMIPKL-FYJGNVAPSA-N 0 0 323.827 5.194 40 30 DKEBRN CCCC[C@H]1CCC(c2ccc(C3CCCCC3)cc2)=CC1=O ZINC000005246503 181221209 /nfs/dbraw/zinc/22/12/09/181221209.db2.gz YGLFYMYRQVZDOV-FQEVSTJZSA-N 0 0 310.481 6.287 40 30 DKEBRN CC[C@@H](C)c1ccc(O)c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000005247717 181221261 /nfs/dbraw/zinc/22/12/61/181221261.db2.gz BPKLBAAQPKVDNQ-ZVUDUZCESA-N 0 0 324.380 5.230 40 30 DKEBRN CC[C@H](C)c1ccc(O)c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000005247769 181221359 /nfs/dbraw/zinc/22/13/59/181221359.db2.gz BPKLBAAQPKVDNQ-MJLFRLDFSA-N 0 0 324.380 5.230 40 30 DKEBRN O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000005252456 181222566 /nfs/dbraw/zinc/22/25/66/181222566.db2.gz WISCZQPKOCVKER-XCVCLJGOSA-N 0 0 310.702 5.255 40 30 DKEBRN O=C(/C=C/c1cccc2ccccc12)c1ccc2ccccc2c1 ZINC000005280554 181225804 /nfs/dbraw/zinc/22/58/04/181225804.db2.gz HTFOFUHKAZYGLA-CCEZHUSRSA-N 0 0 308.380 5.889 40 30 DKEBRN C(=N/c1nc2ccccc2[nH]1)\N(c1ccccc1)c1ccccc1 ZINC000005323496 181229811 /nfs/dbraw/zinc/22/98/11/181229811.db2.gz VTIRWPNEHSYOJH-RCCKNPSSSA-N 0 0 312.376 5.061 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000005328104 181229689 /nfs/dbraw/zinc/22/96/89/181229689.db2.gz VGTVNBIPGZZDEX-VMPITWQZSA-N 0 0 305.204 5.506 40 30 DKEBRN O=[N+]([O-])c1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 ZINC000005328472 181229830 /nfs/dbraw/zinc/22/98/30/181229830.db2.gz GQFHXBBAUVOGLQ-UHFFFAOYSA-N 0 0 314.344 5.028 40 30 DKEBRN CN1c2c(ccc3ccccc23)S/C1=C/C=N/c1ccccc1 ZINC000005334857 181231053 /nfs/dbraw/zinc/23/10/53/181231053.db2.gz CFJGSMGDRIQGCK-DWUZODITSA-N 0 0 316.429 5.626 40 30 DKEBRN COc1ccc(/N=C(\Sc2ccccc2)c2ccccc2)cc1 ZINC000005358871 181234313 /nfs/dbraw/zinc/23/43/13/181234313.db2.gz WQCNOEZEOVEAHI-MRCUWXFGSA-N 0 0 319.429 5.566 40 30 DKEBRN Clc1ccc(N=CC=CC=CNc2ccc(Cl)cc2)cc1 ZINC000005368717 181235333 /nfs/dbraw/zinc/23/53/33/181235333.db2.gz WTWFKWTUCHNTRE-QPHZRRGLSA-N 0 0 317.219 5.878 40 30 DKEBRN CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000005370538 181235464 /nfs/dbraw/zinc/23/54/64/181235464.db2.gz RMMOHYOCWDQUCD-GIJQJNRQSA-N 0 0 313.615 5.483 40 30 DKEBRN CC(=NOC(=O)Nc1ccccc1)c1ccc(C2CCCC2)cc1 ZINC000005370814 518471071 /nfs/dbraw/zinc/47/10/71/518471071.db2.gz KIGHMRNWUQAXID-PXLXIMEGSA-N 0 0 322.408 5.317 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000005378727 181236565 /nfs/dbraw/zinc/23/65/65/181236565.db2.gz ITOPRUNXNYEDGQ-OVCLIPMQSA-N 0 0 318.803 5.903 40 30 DKEBRN O=C(/C=C\c1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000005395755 181238763 /nfs/dbraw/zinc/23/87/63/181238763.db2.gz VRBVYRUYQIRTOW-PFONDFGASA-N 0 0 308.380 5.889 40 30 DKEBRN CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\O ZINC000005410945 519948110 /nfs/dbraw/zinc/94/81/10/519948110.db2.gz YZGDEEMSAYQUKK-FGQDEARFSA-N 0 0 300.229 5.807 40 30 DKEBRN C/C(=N/N=C(/C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005412014 181240169 /nfs/dbraw/zinc/24/01/69/181240169.db2.gz QSEXMNJCTCIKJC-YZLQMOBTSA-N 0 0 305.208 5.227 40 30 DKEBRN C/C(=N/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000005412030 518449439 /nfs/dbraw/zinc/44/94/39/518449439.db2.gz IVIYBBWRZFZEIN-ZOEVUZSCSA-N 0 0 312.416 5.143 40 30 DKEBRN CC1(C)[C@H]2C[C@@H]1C(/C=N\N(c1ccccc1)c1ccccc1)=CC2 ZINC000005415585 181240616 /nfs/dbraw/zinc/24/06/16/181240616.db2.gz AYCMWGUFJHWNFO-XRYOTSKFSA-N 0 0 316.448 5.803 40 30 DKEBRN CC1(C)[C@@H]2C[C@H]1C(/C=N\N(c1ccccc1)c1ccccc1)=CC2 ZINC000005415807 181240952 /nfs/dbraw/zinc/24/09/52/181240952.db2.gz AYCMWGUFJHWNFO-RXCKXGNTSA-N 0 0 316.448 5.803 40 30 DKEBRN CCCCCCOc1ccc(/C(CCCCCC)=N/O)c(O)c1 ZINC000005417919 181241357 /nfs/dbraw/zinc/24/13/57/181241357.db2.gz VPJFRQXRLHPHAJ-CZIZESTLSA-N 0 0 321.461 5.500 40 30 DKEBRN CCCCCC/C(=N\O)c1cc(CCCCCC)c(O)cc1O ZINC000005418462 181241472 /nfs/dbraw/zinc/24/14/72/181241472.db2.gz SFSRBIGVHDHUJI-LVZFUZTISA-N 0 0 321.461 5.369 40 30 DKEBRN CCCCCCc1ccc(/N=C/c2ccc(OCC)cc2)cc1 ZINC000005418507 181241665 /nfs/dbraw/zinc/24/16/65/181241665.db2.gz ATRVTFBOCUFZBR-OQKWZONESA-N 0 0 309.453 5.959 40 30 DKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3)cc2)c1C ZINC000005419200 563921133 /nfs/dbraw/zinc/92/11/33/563921133.db2.gz QLIISLJYOCQYQY-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN CCCCCc1ccc(C#Cc2ccc(OCCCC)cc2)cc1 ZINC000005419251 181241294 /nfs/dbraw/zinc/24/12/94/181241294.db2.gz ORYZMYQAMOPMTC-UHFFFAOYSA-N 0 0 320.476 5.998 40 30 DKEBRN CCCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000005421787 519949012 /nfs/dbraw/zinc/94/90/12/519949012.db2.gz XAOKZOCQTVKSGX-MLKPBCHCSA-N 0 0 307.441 5.533 40 30 DKEBRN O=C(/C(=C\c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000005431726 181243063 /nfs/dbraw/zinc/24/30/63/181243063.db2.gz DVBLDSGHLUAKPX-HKWRFOASSA-N 0 0 318.803 5.764 40 30 DKEBRN CCCCCCC(/C=C\c1c(Cl)cccc1Cl)=N\O ZINC000005438452 563329471 /nfs/dbraw/zinc/32/94/71/563329471.db2.gz PUEGRAKIEVPHNE-RDWZXGDNSA-N 0 0 300.229 5.807 40 30 DKEBRN CCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000005467024 257218797 /nfs/dbraw/zinc/21/87/97/257218797.db2.gz ZBESFACPKUIBQA-CJLVFECKSA-N 0 0 317.388 5.628 40 30 DKEBRN Cc1ccc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000005488162 181249079 /nfs/dbraw/zinc/24/90/79/181249079.db2.gz GDLNLODHDWZWQB-HXUWFJFHSA-N 0 0 321.445 5.261 40 30 DKEBRN Cc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1 ZINC000005488169 181249193 /nfs/dbraw/zinc/24/91/93/181249193.db2.gz GDLNLODHDWZWQB-FQEVSTJZSA-N 0 0 321.445 5.261 40 30 DKEBRN CC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1Cl ZINC000005493450 181249434 /nfs/dbraw/zinc/24/94/34/181249434.db2.gz KDEGLILOUQEKBV-UDRLLYAISA-N 0 0 305.208 5.495 40 30 DKEBRN CCCC[C@]1(C#Cc2ccccc2)Sc2ccccc2N1C ZINC000005499253 181250076 /nfs/dbraw/zinc/25/00/76/181250076.db2.gz GPJDZTJUFRETMM-HXUWFJFHSA-N 0 0 307.462 5.167 40 30 DKEBRN Clc1ccccc1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000005506146 181251277 /nfs/dbraw/zinc/25/12/77/181251277.db2.gz BDFZWCTYFXSXKQ-PXLXIMEGSA-N 0 0 320.823 5.381 40 30 DKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 ZINC000005512872 257218432 /nfs/dbraw/zinc/21/84/32/257218432.db2.gz LTLWZPIVQCOUGH-PXLXIMEGSA-N 0 0 317.388 5.025 40 30 DKEBRN O=C1c2cccc3c2c(ccc3Cl)C1=C1Cc2ccccc2N1 ZINC000005520600 181253204 /nfs/dbraw/zinc/25/32/04/181253204.db2.gz ZXSLICPAUQIWSP-HTXNQAPBSA-N 0 0 317.775 5.069 40 30 DKEBRN CCCCCCC(/C=N/N=C\c1ccco1)=C/c1ccccc1 ZINC000005523871 563329674 /nfs/dbraw/zinc/32/96/74/563329674.db2.gz AZLBRXMRKGFPSR-GMVSHGFBSA-N 0 0 308.425 5.738 40 30 DKEBRN Cc1ccc(/N=N/c2ccc(C)cc2/N=C/c2ccncc2)cc1 ZINC000005540201 257231581 /nfs/dbraw/zinc/23/15/81/257231581.db2.gz OLTFMXLRUAFIBL-OEGUDMMCSA-N 0 0 314.392 5.864 40 30 DKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccccc2)c1 ZINC000005541947 257218605 /nfs/dbraw/zinc/21/86/05/257218605.db2.gz IUKILEXCDBXIEE-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Cc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000005543220 181255514 /nfs/dbraw/zinc/25/55/14/181255514.db2.gz NEZAKLIDLWQJBI-QGMBQPNBSA-N 0 0 313.615 5.401 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C)cc1C ZINC000005570778 181258583 /nfs/dbraw/zinc/25/85/83/181258583.db2.gz CAMHASOLGRSROP-HYARGMPZSA-N 0 0 317.436 5.157 40 30 DKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(C)c(C)c1 ZINC000005571038 181258322 /nfs/dbraw/zinc/25/83/22/181258322.db2.gz ZBWUNOGXFMSPPQ-HYARGMPZSA-N 0 0 323.827 5.341 40 30 DKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@H]1SCc1ccco1 ZINC000005581506 181260808 /nfs/dbraw/zinc/26/08/08/181260808.db2.gz XDBJADJNAUYMHZ-NDHPMDLFSA-N 0 0 305.443 5.178 40 30 DKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1SCc1ccco1 ZINC000005581524 181260466 /nfs/dbraw/zinc/26/04/66/181260466.db2.gz XDBJADJNAUYMHZ-JKXIEEPTSA-N 0 0 305.443 5.178 40 30 DKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1ccccc1O ZINC000005584175 181260819 /nfs/dbraw/zinc/26/08/19/181260819.db2.gz NKNDZZMNQQYGEJ-MSKXCXKNSA-N 0 0 317.454 5.150 40 30 DKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1ccccc1O ZINC000005584178 181260445 /nfs/dbraw/zinc/26/04/45/181260445.db2.gz NKNDZZMNQQYGEJ-KMJVKKIXSA-N 0 0 317.454 5.150 40 30 DKEBRN Cc1ccc(/N=C(/Nc2ccc(C)cc2)c2ccccc2O)cc1 ZINC000005588205 181261342 /nfs/dbraw/zinc/26/13/42/181261342.db2.gz SGDLSGKVDUDXRA-UHFFFAOYSA-N 0 0 316.404 5.199 40 30 DKEBRN Cc1ccc(NC(=Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000005588233 181261431 /nfs/dbraw/zinc/26/14/31/181261431.db2.gz AKOGBZVCKDWJOY-UHFFFAOYSA-N 0 0 320.823 5.839 40 30 DKEBRN c1ccc(/N=C(\Nc2ccccc2)c2cccc3ccccc32)cc1 ZINC000005590891 181261010 /nfs/dbraw/zinc/26/10/10/181261010.db2.gz BSSSZRKSMZMEIQ-UHFFFAOYSA-N 0 0 322.411 6.030 40 30 DKEBRN C(/C=N/c1ccc2oc(-c3ccccc3)nc2c1)=C\c1ccccc1 ZINC000005600226 181262261 /nfs/dbraw/zinc/26/22/61/181262261.db2.gz IMVWCLZUTNURIR-ZREQCHBWSA-N 0 0 324.383 5.911 40 30 DKEBRN Cc1ccsc1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000005603450 563624104 /nfs/dbraw/zinc/62/41/04/563624104.db2.gz VYYXHVASPIBSQR-XSFVSMFZSA-N 0 0 306.434 5.097 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3O)c2C)cc1 ZINC000005611013 181263521 /nfs/dbraw/zinc/26/35/21/181263521.db2.gz YUMUIUNEYJWEQR-HMAPJEAMSA-N 0 0 318.420 5.113 40 30 DKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000005612917 181263351 /nfs/dbraw/zinc/26/33/51/181263351.db2.gz CVEHTKVSGNGNAR-CIAFOILYSA-N 0 0 324.811 5.204 40 30 DKEBRN c1ccc2[nH]c(N=NC3CCCCCCCCCCC3)nc2c1 ZINC000005615229 181263932 /nfs/dbraw/zinc/26/39/32/181263932.db2.gz MILPYWXCMGAGIJ-UHFFFAOYSA-N 0 0 312.461 5.636 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2)cc1Cl ZINC000005618167 181264572 /nfs/dbraw/zinc/26/45/72/181264572.db2.gz DGZVMMSPAORNMM-HJWRWDBZSA-N 0 0 306.192 5.110 40 30 DKEBRN CC(C)c1ccc(C#N)c(SCc2cccc(Cl)c2)n1 ZINC000005633565 181266908 /nfs/dbraw/zinc/26/69/08/181266908.db2.gz MIHIIPIJCAJNCL-UHFFFAOYSA-N 0 0 302.830 5.022 40 30 DKEBRN COc1ccc(C=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 ZINC000005662920 181268567 /nfs/dbraw/zinc/26/85/67/181268567.db2.gz BFQNKGNKXRVCSC-UHFFFAOYSA-N 0 0 324.464 5.606 40 30 DKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)c(Cl)c1 ZINC000005664125 563330674 /nfs/dbraw/zinc/33/06/74/563330674.db2.gz LTTOUUHVKAYFKL-XXUMGARMSA-N 0 0 319.235 5.885 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1C1CCCCC1 ZINC000005697631 181273299 /nfs/dbraw/zinc/27/32/99/181273299.db2.gz HVBKLJDACBANHK-HZHRSRAPSA-N 0 0 322.496 6.484 40 30 DKEBRN CCCCCCSCCS[C@@H]1CCCCCC/C1=N\O ZINC000005712037 563330711 /nfs/dbraw/zinc/33/07/11/563330711.db2.gz YWBVMKNCEXJOLB-IBOXJLQUSA-N 0 0 317.564 5.586 40 30 DKEBRN CCCCCCSCCS[C@H]1CCCCCC/C1=N\O ZINC000005712052 563330443 /nfs/dbraw/zinc/33/04/43/563330443.db2.gz YWBVMKNCEXJOLB-UYTDBDHRSA-N 0 0 317.564 5.586 40 30 DKEBRN O=C(/C=C/c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000005722628 181276833 /nfs/dbraw/zinc/27/68/33/181276833.db2.gz KMHFPKWODSHRBC-VMPITWQZSA-N 0 0 311.595 5.543 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000005722630 181276969 /nfs/dbraw/zinc/27/69/69/181276969.db2.gz AOSIKJAEJNYRJB-SOFGYWHQSA-N 0 0 311.595 5.543 40 30 DKEBRN COc1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005722784 181277004 /nfs/dbraw/zinc/27/70/04/181277004.db2.gz MDDBEOBVGULHNN-LTGZKZEYSA-N 0 0 314.384 5.119 40 30 DKEBRN COc1ccccc1/C=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000005722788 181276836 /nfs/dbraw/zinc/27/68/36/181276836.db2.gz XFMKEYJVZOYKKQ-CAPFRKAQSA-N 0 0 314.384 5.119 40 30 DKEBRN O=C(/C(=C/c1cccc(Cl)c1)c1ccccc1)c1ccccc1 ZINC000005722793 181277193 /nfs/dbraw/zinc/27/71/93/181277193.db2.gz VWTIUGQTUGJJQC-HMMYKYKNSA-N 0 0 318.803 5.764 40 30 DKEBRN O=C(/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000005722794 181276916 /nfs/dbraw/zinc/27/69/16/181276916.db2.gz ZNZQONDKQMQNQO-XDJHFCHBSA-N 0 0 318.803 5.764 40 30 DKEBRN O=C(/C=C\c1c(O)ccc2ccccc21)c1cccc2ccccc21 ZINC000005722865 181277081 /nfs/dbraw/zinc/27/70/81/181277081.db2.gz UTJPXWFTKSJOMT-SQFISAMPSA-N 0 0 324.379 5.595 40 30 DKEBRN O=C(/C=C\c1c(O)ccc2ccccc12)c1ccccc1Cl ZINC000005722877 181277238 /nfs/dbraw/zinc/27/72/38/181277238.db2.gz ZOQFHGVWYHPQPE-BENRWUELSA-N 0 0 308.764 5.095 40 30 DKEBRN O=C(/C=C\c1c(O)ccc2ccccc21)c1ccc2ccccc2c1 ZINC000005722954 181277255 /nfs/dbraw/zinc/27/72/55/181277255.db2.gz OCSCHZZAEMXYDW-OWBHPGMISA-N 0 0 324.379 5.595 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000005723719 563921350 /nfs/dbraw/zinc/92/13/50/563921350.db2.gz JPDIISCNKYBMAY-YICFOJQDSA-N 0 0 315.501 5.064 40 30 DKEBRN CC1(C)CC(=O)C(c2c3ccccc3nc3ccccc32)C(=O)C1 ZINC000005727665 181277864 /nfs/dbraw/zinc/27/78/64/181277864.db2.gz DNPKPIWKGVUPIX-UHFFFAOYSA-N 0 0 317.388 5.046 40 30 DKEBRN C=C1CC[C@@H]2C[C@H]1[C@H](c1ccc(C)cc1)O[C@]2(C)CC=C(C)C ZINC000005746644 181280253 /nfs/dbraw/zinc/28/02/53/181280253.db2.gz WKGNFUTUIDWFSK-YUMYIRISSA-N 0 0 310.481 6.154 40 30 DKEBRN O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000005749305 181280187 /nfs/dbraw/zinc/28/01/87/181280187.db2.gz REBMTVJMBZNMGP-RMKNXTFCSA-N 0 0 311.595 5.543 40 30 DKEBRN CC1=CC[C@H](C/C=N/N=C/C[C@@H]2CC=C(C)C2(C)C)C1(C)C ZINC000005757646 256519391 /nfs/dbraw/zinc/51/93/91/256519391.db2.gz UVRRNRIPYUMHGA-UKSRJRLHSA-N 0 0 300.490 5.808 40 30 DKEBRN C=C1CCC[C@H]2[C@]1(C)CC[C@H](C)[C@]2(C)Cc1cc(O)ccc1O ZINC000005766845 181282523 /nfs/dbraw/zinc/28/25/23/181282523.db2.gz FBMAHDGTCDISLJ-KQLYMOGASA-N 0 0 314.469 5.439 40 30 DKEBRN C(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2ccccc2)o1 ZINC000005775760 563921322 /nfs/dbraw/zinc/92/13/22/563921322.db2.gz HSLSVTRWBQXSHG-XDHOZWIPSA-N 0 0 319.389 5.002 40 30 DKEBRN CCCCCC#C[C@H](C)OC(=O)Nc1cccc2ccccc21 ZINC000005782305 181283785 /nfs/dbraw/zinc/28/37/85/181283785.db2.gz KHTYYUDNHWACKJ-INIZCTEOSA-N 0 0 309.409 5.361 40 30 DKEBRN N#CCC[C@@H]1CCCc2c3ccccc3n(Cc3ccccc3)c21 ZINC000005799965 181285238 /nfs/dbraw/zinc/28/52/38/181285238.db2.gz ZWIWWWKHFRLWEM-SFHVURJKSA-N 0 0 314.432 5.413 40 30 DKEBRN N#CCC[C@H]1CCCc2c3ccccc3n(Cc3ccccc3)c21 ZINC000005799968 181284738 /nfs/dbraw/zinc/28/47/38/181284738.db2.gz ZWIWWWKHFRLWEM-GOSISDBHSA-N 0 0 314.432 5.413 40 30 DKEBRN O=C(/C=C\c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000005808883 181285960 /nfs/dbraw/zinc/28/59/60/181285960.db2.gz WVBCDPQRDWBQMN-BAQGIRSFSA-N 0 0 311.595 5.543 40 30 DKEBRN O=C(/C=C\c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000005808886 181285672 /nfs/dbraw/zinc/28/56/72/181285672.db2.gz KXZODUXKLAXGEN-VURMDHGXSA-N 0 0 311.595 5.543 40 30 DKEBRN O=C(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000005810698 181286023 /nfs/dbraw/zinc/28/60/23/181286023.db2.gz CFOUQRQVAWHVTI-HMMYKYKNSA-N 0 0 318.803 5.764 40 30 DKEBRN Cc1c(C#N)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000005881648 563591194 /nfs/dbraw/zinc/59/11/94/563591194.db2.gz IDQWESNJHXXAMM-UHFFFAOYSA-N 0 0 315.203 5.177 40 30 DKEBRN Cc1c(C#N)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000005881651 563591449 /nfs/dbraw/zinc/59/14/49/563591449.db2.gz WNTWNQZVYIYYKU-UHFFFAOYSA-N 0 0 315.203 5.177 40 30 DKEBRN N#Cc1c(=S)[nH]c2c(c1-c1ccccc1Cl)CCCCC2 ZINC000005898908 181294408 /nfs/dbraw/zinc/29/44/08/181294408.db2.gz SBQDACOLKNTFJC-UHFFFAOYSA-N 0 0 314.841 5.205 40 30 DKEBRN Clc1cccc(Cl)c1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000005940273 181298606 /nfs/dbraw/zinc/29/86/06/181298606.db2.gz OIGCCSZNCUVNFP-KEBDBYFISA-N 0 0 308.252 5.381 40 30 DKEBRN Cc1cccc(NN=Cc2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000005942926 181299513 /nfs/dbraw/zinc/29/95/13/181299513.db2.gz ARNXEUMMFHCAQL-NDENLUEZSA-N 0 0 310.784 5.354 40 30 DKEBRN O=C1CCCCCC1=CNc1ccc(Oc2ccccc2)cc1 ZINC000006045620 563331656 /nfs/dbraw/zinc/33/16/56/563331656.db2.gz SEINXLBQBKANIS-FOCLMDBBSA-N 0 0 307.393 5.308 40 30 DKEBRN CCc1ccc(C(=O)/C=C/Sc2ccc(F)c(Cl)c2)cc1 ZINC000006168711 523877057 /nfs/dbraw/zinc/87/70/57/523877057.db2.gz CZCKSTODPNKQJB-MDZDMXLPSA-N 0 0 320.816 5.530 40 30 DKEBRN Cc1cc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)ccc1F ZINC000006202818 563924455 /nfs/dbraw/zinc/92/44/55/563924455.db2.gz CCGLSSLCHJMXJE-VOTSOKGWSA-N 0 0 324.182 5.249 40 30 DKEBRN Clc1ccc(-c2csc(N=NC3CCCCC3)n2)cc1 ZINC000006221937 181320815 /nfs/dbraw/zinc/32/08/15/181320815.db2.gz DXJZMDHZORRCLP-UHFFFAOYSA-N 0 0 305.834 5.196 40 30 DKEBRN O=C(/C=C\c1ccccc1Cl)/C=C\c1ccccc1Cl ZINC000006222231 527658103 /nfs/dbraw/zinc/65/81/03/527658103.db2.gz OZBIBYIDJNVAOQ-HWAYABPNSA-N 0 0 303.188 5.289 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(C)c1O ZINC000006233176 563924450 /nfs/dbraw/zinc/92/44/50/563924450.db2.gz WJWBGODWKSPNSE-HYARGMPZSA-N 0 0 317.388 5.552 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(C)c1O ZINC000006236031 563924527 /nfs/dbraw/zinc/92/45/27/563924527.db2.gz GPAPLLRBSAFTTC-HYARGMPZSA-N 0 0 316.404 5.503 40 30 DKEBRN Cc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000006275867 181325721 /nfs/dbraw/zinc/32/57/21/181325721.db2.gz JZQQDMYFLGTZCJ-KTKRTIGZSA-N 0 0 319.326 5.131 40 30 DKEBRN Cc1cc(NC=CC(=O)c2ccc(Cl)cc2Cl)ccc1F ZINC000006281181 563924418 /nfs/dbraw/zinc/92/44/18/563924418.db2.gz GVNPHINLZUQOEJ-VOTSOKGWSA-N 0 0 324.182 5.249 40 30 DKEBRN C#CCOc1ccc2ccccc2c1-c1nc2ccccc2s1 ZINC000006295429 563592282 /nfs/dbraw/zinc/59/22/82/563592282.db2.gz JEMDWHDYWAVLPQ-UHFFFAOYSA-N 0 0 315.397 5.129 40 30 DKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000006295833 563921298 /nfs/dbraw/zinc/92/12/98/563921298.db2.gz YWESHERHKDBGSY-YBFXNURJSA-N 0 0 306.192 5.309 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000006295849 257218613 /nfs/dbraw/zinc/21/86/13/257218613.db2.gz ILKDNSMEPBPFQZ-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccccc1Cl ZINC000006295863 563592554 /nfs/dbraw/zinc/59/25/54/563592554.db2.gz BDIFVDUKRLAIEH-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(Cl)cc2)cc1Cl ZINC000006295867 563921275 /nfs/dbraw/zinc/92/12/75/563921275.db2.gz ACRDEWUUPIQMMF-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000006295869 563921335 /nfs/dbraw/zinc/92/13/35/563921335.db2.gz PZMMFYBIULLDIE-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(F)cc1 ZINC000006295874 563921316 /nfs/dbraw/zinc/92/13/16/563921316.db2.gz VUVMIOPQXQVFLA-UHFFFAOYSA-N 0 0 307.368 5.156 40 30 DKEBRN CC(C)(C)C1CCC(N=Nc2ccc(Br)cc2)CC1 ZINC000006298126 181326978 /nfs/dbraw/zinc/32/69/78/181326978.db2.gz DXXHDZSJGROVEU-UHFFFAOYSA-N 0 0 323.278 5.453 40 30 DKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(C(C)(C)C)cc1 ZINC000006312675 181328423 /nfs/dbraw/zinc/32/84/23/181328423.db2.gz OBCUQRSXWZBIIH-FYJGNVAPSA-N 0 0 323.465 5.430 40 30 DKEBRN O=C(/C=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000006338071 181331772 /nfs/dbraw/zinc/33/17/72/181331772.db2.gz JMQRGBTUMPNDIR-CCEZHUSRSA-N 0 0 314.384 5.162 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 ZINC000006338118 563924439 /nfs/dbraw/zinc/92/44/39/563924439.db2.gz SBTQBCAZTGJFQM-BUHFOSPRSA-N 0 0 302.373 5.135 40 30 DKEBRN O=C(/C=C/c1ccccc1F)c1ccc(-c2ccccc2)cc1 ZINC000006339366 181331740 /nfs/dbraw/zinc/33/17/40/181331740.db2.gz WMGMRYZGDXMQBS-CCEZHUSRSA-N 0 0 302.348 5.389 40 30 DKEBRN Cc1ccsc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006339369 181331475 /nfs/dbraw/zinc/33/14/75/181331475.db2.gz LQIVBKISBGGESP-VAWYXSNFSA-N 0 0 304.414 5.620 40 30 DKEBRN CCc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006339381 181331515 /nfs/dbraw/zinc/33/15/15/181331515.db2.gz UQYOXDJGQWAELB-SFQUDFHCSA-N 0 0 312.412 5.812 40 30 DKEBRN Cc1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000006339382 181331644 /nfs/dbraw/zinc/33/16/44/181331644.db2.gz DAFUMBXNOBGYHG-BUHFOSPRSA-N 0 0 304.414 5.620 40 30 DKEBRN O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000006339613 181331727 /nfs/dbraw/zinc/33/17/27/181331727.db2.gz SINVLKSUEMAJBM-OVCLIPMQSA-N 0 0 302.348 5.389 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O ZINC000006340296 563924428 /nfs/dbraw/zinc/92/44/28/563924428.db2.gz RBZKTJJLQIXEBI-SAPNQHFASA-N 0 0 314.384 5.061 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cccc(Cl)c1 ZINC000006340572 181332109 /nfs/dbraw/zinc/33/21/09/181332109.db2.gz PLGXRPDALSLRCU-FNORWQNLSA-N 0 0 311.595 5.543 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C ZINC000006340726 181332068 /nfs/dbraw/zinc/33/20/68/181332068.db2.gz OKLJBNQSZNEJCA-SOFGYWHQSA-N 0 0 305.204 5.506 40 30 DKEBRN O=C(/C=C/c1ccccc1Cl)c1cc(Cl)ccc1Cl ZINC000006340873 181332087 /nfs/dbraw/zinc/33/20/87/181332087.db2.gz NSPVYYOXLHKNCE-VMPITWQZSA-N 0 0 311.595 5.543 40 30 DKEBRN O=C(/C=C/c1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000006340901 181332105 /nfs/dbraw/zinc/33/21/05/181332105.db2.gz PDPJVDLQBSWWCP-QPJJXVBHSA-N 0 0 311.595 5.543 40 30 DKEBRN CC(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006340906 181332459 /nfs/dbraw/zinc/33/24/59/181332459.db2.gz QRZBTBQLRNCTRX-BJMVGYQFSA-N 0 0 319.231 6.013 40 30 DKEBRN CCc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006340930 181332143 /nfs/dbraw/zinc/33/21/43/181332143.db2.gz PYUJTXVVABIJDV-JXMROGBWSA-N 0 0 305.204 5.452 40 30 DKEBRN CC(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006377329 181335905 /nfs/dbraw/zinc/33/59/05/181335905.db2.gz QNACANRYKGGFLB-BJMVGYQFSA-N 0 0 319.231 6.013 40 30 DKEBRN Cc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1C ZINC000006390886 563924422 /nfs/dbraw/zinc/92/44/22/563924422.db2.gz SLHYPFWQSKRREF-LPYMAVHISA-N 0 0 310.416 5.102 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 ZINC000006432931 181340518 /nfs/dbraw/zinc/34/05/18/181340518.db2.gz JZLBVONTDHQZHU-VMPITWQZSA-N 0 0 305.204 5.506 40 30 DKEBRN C=CCOc1cc(NC(=S)c2sccc2C)ccc1Cl ZINC000006491643 181345941 /nfs/dbraw/zinc/34/59/41/181345941.db2.gz QIXNQUPKYOEKJL-UHFFFAOYSA-N 0 0 323.870 5.062 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000006495663 181345735 /nfs/dbraw/zinc/34/57/35/181345735.db2.gz DDKMXQPQSLLNGV-SOFGYWHQSA-N 0 0 311.595 5.543 40 30 DKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1cccc2ccccc12 ZINC000006495970 181346025 /nfs/dbraw/zinc/34/60/25/181346025.db2.gz BLIDFPNLZBTAAL-HKOYGPOVSA-N 0 0 322.411 6.012 40 30 DKEBRN O=C(Nc1ccccc1)O/N=C1\CCCCC1=Cc1ccccc1 ZINC000006514173 181348661 /nfs/dbraw/zinc/34/86/61/181348661.db2.gz LKOSOOKZYUARPW-KFUJUAAISA-N 0 0 320.392 5.249 40 30 DKEBRN O=C(Nc1ccccc1)O/N=C1/CCCCC1=Cc1ccccc1 ZINC000006514182 181348519 /nfs/dbraw/zinc/34/85/19/181348519.db2.gz LKOSOOKZYUARPW-WIGISAIBSA-N 0 0 320.392 5.249 40 30 DKEBRN O=C(C[C@H](C#Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000006514513 181348550 /nfs/dbraw/zinc/34/85/50/181348550.db2.gz ZLSKVFIDDXHSHU-QFIPXVFZSA-N 0 0 310.396 5.095 40 30 DKEBRN FC(F)(F)c1ccc(Cl)c(NN=C2CCc3ccccc32)c1 ZINC000006536991 181351741 /nfs/dbraw/zinc/35/17/41/181351741.db2.gz KORJLVFNWXETNO-KGENOOAVSA-N 0 0 324.733 5.121 40 30 DKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(C)C)cc1 ZINC000006571370 563924431 /nfs/dbraw/zinc/92/44/31/563924431.db2.gz QZFCHUNTLZKXTM-OEAKJJBVSA-N 0 0 324.443 5.608 40 30 DKEBRN O=C(/C=C/c1c(O)ccc2ccccc21)c1ccc2ccccc2c1 ZINC000006576604 181356551 /nfs/dbraw/zinc/35/65/51/181356551.db2.gz OCSCHZZAEMXYDW-WYMLVPIESA-N 0 0 324.379 5.595 40 30 DKEBRN CC1(C)CC(=O)C=C(Nc2ccc(C(F)(F)F)c(Cl)c2)C1 ZINC000006617160 181361541 /nfs/dbraw/zinc/36/15/41/181361541.db2.gz RQPSDZYWTBICDR-UHFFFAOYSA-N 0 0 317.738 5.044 40 30 DKEBRN CCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006619472 181361538 /nfs/dbraw/zinc/36/15/38/181361538.db2.gz YVFRTOCVSCAYKR-JXMROGBWSA-N 0 0 305.204 5.452 40 30 DKEBRN COc1ccc(N=NC=CC(Cl)c2ccc(Cl)cc2)cc1 ZINC000006646575 181364642 /nfs/dbraw/zinc/36/46/42/181364642.db2.gz MBBOFEWOKSIOAL-WJEOPBEZSA-N 0 0 321.207 5.026 40 30 DKEBRN C=C(C)c1ccccc1N(Cc1ccccc1)Cc1ccccc1 ZINC000006667034 181367630 /nfs/dbraw/zinc/36/76/30/181367630.db2.gz PFRFLVMGCXHMAH-UHFFFAOYSA-N 0 0 313.444 5.927 40 30 DKEBRN CC(=NNc1ccccc1C(F)(F)F)c1cccc(Cl)c1 ZINC000006673966 181369358 /nfs/dbraw/zinc/36/93/58/181369358.db2.gz DXRMQHVNUNDYHT-KEBDBYFISA-N 0 0 312.722 5.195 40 30 DKEBRN CCc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 ZINC000006713502 563717013 /nfs/dbraw/zinc/71/70/13/563717013.db2.gz VCOKWZYMIOZWQP-HYARGMPZSA-N 0 0 310.416 5.047 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1 ZINC000006761217 563921685 /nfs/dbraw/zinc/92/16/85/563921685.db2.gz HTDCXBQHOLSRQK-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCSCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006780924 181387333 /nfs/dbraw/zinc/38/73/33/181387333.db2.gz BNYKIXKVUJTOGW-UHFFFAOYSA-N 0 0 317.841 5.012 40 30 DKEBRN CC(C)(C)c1ccc(CSc2nc3c(cc2C#N)CCC3)cc1 ZINC000006781539 181387910 /nfs/dbraw/zinc/38/79/10/181387910.db2.gz ZBZARVQUYDJTKS-UHFFFAOYSA-N 0 0 322.477 5.032 40 30 DKEBRN CCc1ccc(C(=O)/C=C/Sc2ccc(F)cc2Cl)cc1 ZINC000006791651 523876908 /nfs/dbraw/zinc/87/69/08/523876908.db2.gz ZUSYKQSJQNWRLI-MDZDMXLPSA-N 0 0 320.816 5.530 40 30 DKEBRN Cc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000006814252 181394089 /nfs/dbraw/zinc/39/40/89/181394089.db2.gz DWBWHWMNZLLFNS-HYARGMPZSA-N 0 0 312.372 5.554 40 30 DKEBRN Cc1ccc(/C=N/c2ccc(NC(=O)c3ccccc3)cc2)s1 ZINC000006815492 181394527 /nfs/dbraw/zinc/39/45/27/181394527.db2.gz ARWPORXCADDVMV-DEDYPNTBSA-N 0 0 320.417 5.059 40 30 DKEBRN O=C1CCCCCC1=CNc1ccccc1Oc1ccccc1 ZINC000006816406 563924452 /nfs/dbraw/zinc/92/44/52/563924452.db2.gz XNKNYQUWBZUVPF-FOCLMDBBSA-N 0 0 307.393 5.308 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000006832335 181396753 /nfs/dbraw/zinc/39/67/53/181396753.db2.gz NHIBFAYFTVGGGS-OEAKJJBVSA-N 0 0 317.363 5.116 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000006880679 563595110 /nfs/dbraw/zinc/59/51/10/563595110.db2.gz ZVYCPGFDDCAUMN-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC ZINC000006880680 563595224 /nfs/dbraw/zinc/59/52/24/563595224.db2.gz LOIVJGBMQBMMDZ-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl ZINC000006880721 563921688 /nfs/dbraw/zinc/92/16/88/563921688.db2.gz IGNYMXBUWCGFKQ-YBFXNURJSA-N 0 0 308.208 5.533 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccccc2)cc1OCC ZINC000006880725 563921591 /nfs/dbraw/zinc/92/15/91/563921591.db2.gz GEWIBKBNERXCAA-DEDYPNTBSA-N 0 0 317.816 5.278 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl ZINC000006880727 563921602 /nfs/dbraw/zinc/92/16/02/563921602.db2.gz NWZOFCVMRVEQOI-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OC ZINC000006880729 563921613 /nfs/dbraw/zinc/92/16/13/563921613.db2.gz VHSUULDGMPXBLB-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN O=C(/C=C/c1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000006888811 563822345 /nfs/dbraw/zinc/82/23/45/563822345.db2.gz SKCBOPNZFPCHRQ-QPJJXVBHSA-N 0 0 311.595 5.543 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Sc2ccc(F)c(Cl)c2)cc1 ZINC000006922774 181406437 /nfs/dbraw/zinc/40/64/37/181406437.db2.gz ISNZNOOARIIZCE-CMDGGOBGSA-N 0 0 306.789 5.276 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Sc2ccc(F)cc2Cl)cc1 ZINC000006922775 563335101 /nfs/dbraw/zinc/33/51/01/563335101.db2.gz NIJNAEHUUPVKFD-CMDGGOBGSA-N 0 0 306.789 5.276 40 30 DKEBRN O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(F)cc1 ZINC000006926270 190626072 /nfs/dbraw/zinc/62/60/72/190626072.db2.gz NVBYVRIAGWYOFQ-BQYQJAHWSA-N 0 0 310.752 5.107 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1cc(C)ccc1C ZINC000006941550 563335471 /nfs/dbraw/zinc/33/54/71/563335471.db2.gz JFBCDOQREYSHTR-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1C ZINC000006941561 563595150 /nfs/dbraw/zinc/59/51/50/563595150.db2.gz OMKRJADMFHTLBY-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(C)c1 ZINC000006941570 563595040 /nfs/dbraw/zinc/59/50/40/563595040.db2.gz XJQYWYQDQLISJQ-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000006941578 563595251 /nfs/dbraw/zinc/59/52/51/563595251.db2.gz SPDQKDSGNGMYDB-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(CC)cc1 ZINC000006941600 563595065 /nfs/dbraw/zinc/59/50/65/563595065.db2.gz CDTVWNLDIVJGCM-DEDYPNTBSA-N 0 0 301.817 5.442 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(OCC)cc1 ZINC000006941618 563595202 /nfs/dbraw/zinc/59/52/02/563595202.db2.gz QRQNFZNLZQQNKK-DEDYPNTBSA-N 0 0 317.816 5.278 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc(C)cc1C ZINC000006941631 563921599 /nfs/dbraw/zinc/92/15/99/563921599.db2.gz QTHKTYPRFSFSAR-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1cccc(C)c1C ZINC000006941644 563921632 /nfs/dbraw/zinc/92/16/32/563921632.db2.gz BEGMEASWHGTJDP-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C ZINC000006941653 563921587 /nfs/dbraw/zinc/92/15/87/563921587.db2.gz HDIHGFJUCHPDOK-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000006941803 563594972 /nfs/dbraw/zinc/59/49/72/563594972.db2.gz LIMQJAPLXYZTJI-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000006941812 563595243 /nfs/dbraw/zinc/59/52/43/563595243.db2.gz WSQOGPIBRLOEDD-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000006941819 563595138 /nfs/dbraw/zinc/59/51/38/563595138.db2.gz GPNGPEGVNZYDHJ-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000006941826 563595241 /nfs/dbraw/zinc/59/52/41/563595241.db2.gz PVMTTYDDPIRYTP-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000006941840 563595239 /nfs/dbraw/zinc/59/52/39/563595239.db2.gz PMULHODEJPKECV-DEDYPNTBSA-N 0 0 301.817 5.442 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Cl ZINC000006941850 563595116 /nfs/dbraw/zinc/59/51/16/563595116.db2.gz ZIMGGJQHBSMCEX-DEDYPNTBSA-N 0 0 317.816 5.278 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000006941863 563921676 /nfs/dbraw/zinc/92/16/76/563921676.db2.gz JMXRHOTWVAJTKM-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000006941869 563921584 /nfs/dbraw/zinc/92/15/84/563921584.db2.gz TXPLSLAKAQVWOV-UDWIEESQSA-N 0 0 301.817 5.496 40 30 DKEBRN CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000006941876 563921627 /nfs/dbraw/zinc/92/16/27/563921627.db2.gz LWWUXVIKEOOXNH-RGVLZGJSSA-N 0 0 322.235 5.841 40 30 DKEBRN CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000006942081 563921654 /nfs/dbraw/zinc/92/16/54/563921654.db2.gz FJFNZRVRIGKNTP-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000006942096 563921604 /nfs/dbraw/zinc/92/16/04/563921604.db2.gz RQHHWEXQQRJFND-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000006942146 563921634 /nfs/dbraw/zinc/92/16/34/563921634.db2.gz AJZOJPMHMQNXNY-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCCOc1ccc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000006942338 563921578 /nfs/dbraw/zinc/92/15/78/563921578.db2.gz XMPLMABBKNOKTP-KGENOOAVSA-N 0 0 311.425 5.242 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006942350 563921614 /nfs/dbraw/zinc/92/16/14/563921614.db2.gz MLUHUTPBHNHZMT-KGENOOAVSA-N 0 0 311.425 5.242 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000006942364 563595100 /nfs/dbraw/zinc/59/51/00/563595100.db2.gz LCLJYIAMFKMVIC-RCCKNPSSSA-N 0 0 311.425 5.187 40 30 DKEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000006942391 563921681 /nfs/dbraw/zinc/92/16/81/563921681.db2.gz BZHIOEROHZJSQB-KGENOOAVSA-N 0 0 311.425 5.242 40 30 DKEBRN CCCOc1ccc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006942396 563921621 /nfs/dbraw/zinc/92/16/21/563921621.db2.gz MEEPIJYXZFVMAZ-KGENOOAVSA-N 0 0 311.425 5.242 40 30 DKEBRN O=C(C=CNc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000006942491 181409654 /nfs/dbraw/zinc/40/96/54/181409654.db2.gz OPSNAJILPRMUKG-SEYXRHQNSA-N 0 0 307.780 5.302 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1cc(C)ccc1C ZINC000006942574 563921638 /nfs/dbraw/zinc/92/16/38/563921638.db2.gz AWHCPEZKEQZMRT-HZHRSRAPSA-N 0 0 317.432 5.996 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(C)c1 ZINC000006942588 563921583 /nfs/dbraw/zinc/92/15/83/563921583.db2.gz MWKPZYSQVLDFOF-HZHRSRAPSA-N 0 0 317.432 5.996 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1 ZINC000006942601 563921611 /nfs/dbraw/zinc/92/16/11/563921611.db2.gz ZKHYERUDUUCENY-PXLXIMEGSA-N 0 0 303.405 5.688 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(CC)cc1 ZINC000006942607 563595076 /nfs/dbraw/zinc/59/50/76/563595076.db2.gz AEJNSTPVSYWBLS-XQNSMLJCSA-N 0 0 317.432 5.942 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(OC)cc1 ZINC000006942611 563595219 /nfs/dbraw/zinc/59/52/19/563595219.db2.gz XFTWTMGNVRITLQ-PXLXIMEGSA-N 0 0 319.404 5.388 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C ZINC000006942628 563921678 /nfs/dbraw/zinc/92/16/78/563921678.db2.gz BSOCSQLRTWYJHJ-HZHRSRAPSA-N 0 0 317.432 5.996 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1C ZINC000006942636 563921598 /nfs/dbraw/zinc/92/15/98/563921598.db2.gz IGAGFBANTXWKML-HZHRSRAPSA-N 0 0 317.432 5.996 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccccc1C ZINC000006942651 563921576 /nfs/dbraw/zinc/92/15/76/563921576.db2.gz NJDLEEMCGMTDAB-PXLXIMEGSA-N 0 0 303.405 5.688 40 30 DKEBRN O=C(C=CNc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000006943169 563709838 /nfs/dbraw/zinc/70/98/38/563709838.db2.gz NAGIYBJTVAKIAT-QXMHVHEDSA-N 0 0 307.780 5.302 40 30 DKEBRN O=C(C=CNc1cccc(Cl)c1)c1ccc2ccccc2c1 ZINC000006943181 563335132 /nfs/dbraw/zinc/33/51/32/563335132.db2.gz HKWNPQWGEPYKFF-KHPPLWFESA-N 0 0 307.780 5.302 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000006958054 563921819 /nfs/dbraw/zinc/92/18/19/563921819.db2.gz QNPZSTKRTKBUGK-KEBDBYFISA-N 0 0 322.235 5.760 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000006958059 563921839 /nfs/dbraw/zinc/92/18/39/563921839.db2.gz WSBGPGMEQAJEFH-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000006958072 563921714 /nfs/dbraw/zinc/92/17/14/563921714.db2.gz NIVKRTOTEABFHW-KEBDBYFISA-N 0 0 322.235 5.760 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000006958075 563921769 /nfs/dbraw/zinc/92/17/69/563921769.db2.gz VERXZNVHHWFJOU-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000006958088 563335188 /nfs/dbraw/zinc/33/51/88/563335188.db2.gz QXQAGAARMSBKTH-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl ZINC000006958097 563596428 /nfs/dbraw/zinc/59/64/28/563596428.db2.gz GVWMPROTUKCAIL-VXLYETTFSA-N 0 0 324.207 5.151 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000006958115 563921785 /nfs/dbraw/zinc/92/17/85/563921785.db2.gz XDGPZJCOMQTJCS-KEBDBYFISA-N 0 0 322.235 5.760 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000006958119 563921744 /nfs/dbraw/zinc/92/17/44/563921744.db2.gz VTZKZNMTLRWKRL-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000006958123 563921802 /nfs/dbraw/zinc/92/18/02/563921802.db2.gz OIHWNJCITASLFX-KEBDBYFISA-N 0 0 322.235 5.760 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000006958127 563921843 /nfs/dbraw/zinc/92/18/43/563921843.db2.gz ZPKKYSFKVKUBIH-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl ZINC000006958148 563921780 /nfs/dbraw/zinc/92/17/80/563921780.db2.gz IMXYMOKDKKTUSI-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1O ZINC000006958830 563596138 /nfs/dbraw/zinc/59/61/38/563596138.db2.gz ZJBPKSOLYXITDW-DJKKODMXSA-N 0 0 324.207 5.157 40 30 DKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1O ZINC000006958838 563596174 /nfs/dbraw/zinc/59/61/74/563596174.db2.gz JLWYEBNHZROZQQ-DJKKODMXSA-N 0 0 324.207 5.157 40 30 DKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1O ZINC000006958859 563921719 /nfs/dbraw/zinc/92/17/19/563921719.db2.gz IEXABLNHJFUXGA-DJKKODMXSA-N 0 0 324.207 5.157 40 30 DKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OC ZINC000006959150 563921824 /nfs/dbraw/zinc/92/18/24/563921824.db2.gz WUTGRKKWNHZCIL-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OC ZINC000006959157 563921774 /nfs/dbraw/zinc/92/17/74/563921774.db2.gz SGIFPDGCHLJWJI-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OC ZINC000006959174 563596406 /nfs/dbraw/zinc/59/64/06/563596406.db2.gz JBBZQWUOXZWWPI-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OC ZINC000006959179 563596126 /nfs/dbraw/zinc/59/61/26/563596126.db2.gz HYMJWLUVYTZDEU-RGVLZGJSSA-N 0 0 317.816 5.115 40 30 DKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC ZINC000006959675 563921841 /nfs/dbraw/zinc/92/18/41/563921841.db2.gz AITLSUBTORLHOA-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC ZINC000006959703 563921832 /nfs/dbraw/zinc/92/18/32/563921832.db2.gz LAHUMTFNUJQWNL-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccccc2)cc1OCC ZINC000006959801 563596067 /nfs/dbraw/zinc/59/60/67/563596067.db2.gz QFRMLDXKYFBTQJ-DEDYPNTBSA-N 0 0 315.800 5.054 40 30 DKEBRN C=CCn1c(C)c(-c2nc3ccccc3s2)c2ccccc21 ZINC000006960066 563921851 /nfs/dbraw/zinc/92/18/51/563921851.db2.gz YEFNCHHNGOJPMA-UHFFFAOYSA-N 0 0 304.418 5.412 40 30 DKEBRN C=CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000006961081 563921836 /nfs/dbraw/zinc/92/18/36/563921836.db2.gz PEVFMSILEOKZGS-KGENOOAVSA-N 0 0 309.409 5.018 40 30 DKEBRN C=CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006961087 563921809 /nfs/dbraw/zinc/92/18/09/563921809.db2.gz GMWQBGUZYSFJAK-KGENOOAVSA-N 0 0 309.409 5.018 40 30 DKEBRN C=CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000006961101 563921717 /nfs/dbraw/zinc/92/17/17/563921717.db2.gz UDNLAHCQBWYQRI-KGENOOAVSA-N 0 0 309.409 5.018 40 30 DKEBRN C=CCOc1ccc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006961104 563596073 /nfs/dbraw/zinc/59/60/73/563596073.db2.gz KRBDOQJXOMMFPV-KGENOOAVSA-N 0 0 309.409 5.018 40 30 DKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OC)c(Cl)c2)cc1 ZINC000006962149 563335336 /nfs/dbraw/zinc/33/53/36/563335336.db2.gz XBUANRNUNIGOFH-VXLYETTFSA-N 0 0 324.207 5.151 40 30 DKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc(OCC)cc1 ZINC000006962373 563921766 /nfs/dbraw/zinc/92/17/66/563921766.db2.gz HSIXAWJIBMGNNQ-DEDYPNTBSA-N 0 0 315.800 5.054 40 30 DKEBRN C=CCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1Cl ZINC000006962501 563921952 /nfs/dbraw/zinc/92/19/52/563921952.db2.gz XOFKKKJRQKMVEK-DEDYPNTBSA-N 0 0 315.800 5.054 40 30 DKEBRN CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000006963958 563921910 /nfs/dbraw/zinc/92/19/10/563921910.db2.gz ZXEVIRXJGZAUEC-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000006963962 563921933 /nfs/dbraw/zinc/92/19/33/563921933.db2.gz NZZQCDORMPHKHP-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000006963972 563596859 /nfs/dbraw/zinc/59/68/59/563596859.db2.gz LLICAKQKIOAPEK-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000006964194 563596689 /nfs/dbraw/zinc/59/66/89/563596689.db2.gz ARACFMMJXNADTJ-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000006964196 563597040 /nfs/dbraw/zinc/59/70/40/563597040.db2.gz SSZLGNSEFXEUAY-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000006964204 563921954 /nfs/dbraw/zinc/92/19/54/563921954.db2.gz DNXHRIQEJASTDR-UDWIEESQSA-N 0 0 317.816 5.196 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C ZINC000006964644 563921985 /nfs/dbraw/zinc/92/19/85/563921985.db2.gz JWRHOUJCUGMABR-LPYMAVHISA-N 0 0 323.823 5.951 40 30 DKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc(CC)cc1 ZINC000008084074 563922101 /nfs/dbraw/zinc/92/21/01/563922101.db2.gz IXFLQSLHAYFOPI-XQNSMLJCSA-N 0 0 313.400 5.165 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(CC)cc1 ZINC000008084098 563604443 /nfs/dbraw/zinc/60/44/43/563604443.db2.gz HPKHIKGPIAPREZ-XQNSMLJCSA-N 0 0 315.416 5.718 40 30 DKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OC ZINC000008084279 563604586 /nfs/dbraw/zinc/60/45/86/563604586.db2.gz VRCQCMXELTXOJM-UDWIEESQSA-N 0 0 317.816 5.060 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000008084316 563604615 /nfs/dbraw/zinc/60/46/15/563604615.db2.gz PPEJZONXGQVAAD-RGVLZGJSSA-N 0 0 322.235 5.705 40 30 DKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000008084322 563604725 /nfs/dbraw/zinc/60/47/25/563604725.db2.gz UUCLMUBAWKFGQE-UDWIEESQSA-N 0 0 317.816 5.060 40 30 DKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000008085117 563922086 /nfs/dbraw/zinc/92/20/86/563922086.db2.gz SBMNYEGBXIORJX-XQNSMLJCSA-N 0 0 315.416 5.579 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(OC)cc1 ZINC000008116365 563606230 /nfs/dbraw/zinc/60/62/30/563606230.db2.gz SAFYXFAKKWXBAT-PXLXIMEGSA-N 0 0 317.388 5.164 40 30 DKEBRN CCCCCCCCCCCCCCCCOC(=O)C1CC1 ZINC000008214533 563345202 /nfs/dbraw/zinc/34/52/02/563345202.db2.gz NSCKKHGFMYTPBG-UHFFFAOYSA-N 0 0 310.522 6.421 40 30 DKEBRN CCCCCC/C=C\CCCCCCCc1cccc(O)c1 ZINC000008234357 563890822 /nfs/dbraw/zinc/89/08/22/563890822.db2.gz YLKVIMNNMLKUGJ-FPLPWBNLSA-N 0 0 302.502 6.802 40 30 biogenic,in-vitro DKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OC ZINC000008277751 563922277 /nfs/dbraw/zinc/92/22/77/563922277.db2.gz BEFJEVKECOBCAM-DJKKODMXSA-N 0 0 324.207 5.070 40 30 DKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C ZINC000008277803 563609068 /nfs/dbraw/zinc/60/90/68/563609068.db2.gz XQOGVQWGOOKTSV-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C ZINC000008277820 563608806 /nfs/dbraw/zinc/60/88/06/563608806.db2.gz OSVLHQUQQMUJGN-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN C#CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000008277888 563922303 /nfs/dbraw/zinc/92/23/03/563922303.db2.gz ATBPIDRYRFOCMQ-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN C=CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000008277896 563922324 /nfs/dbraw/zinc/92/23/24/563922324.db2.gz QLBGHXXSLZFJSK-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1cc(C)ccc1C ZINC000008367787 563922318 /nfs/dbraw/zinc/92/23/18/563922318.db2.gz FGDBQVRWSHUUFK-HZHRSRAPSA-N 0 0 313.400 5.219 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1cc(C)ccc1C ZINC000008367791 563642146 /nfs/dbraw/zinc/64/21/46/563642146.db2.gz YCSLBWYWVOQEJC-HZHRSRAPSA-N 0 0 315.416 5.772 40 30 DKEBRN COc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000008367830 563922280 /nfs/dbraw/zinc/92/22/80/563922280.db2.gz HRWFMSNGTJMTDX-DJKKODMXSA-N 0 0 308.208 5.369 40 30 DKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C ZINC000008368449 563922245 /nfs/dbraw/zinc/92/22/45/563922245.db2.gz DQKBRSWMMAYBKG-HZHRSRAPSA-N 0 0 313.400 5.219 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C ZINC000008368455 563922313 /nfs/dbraw/zinc/92/23/13/563922313.db2.gz WVWWRRRBHGWQEH-HZHRSRAPSA-N 0 0 315.416 5.772 40 30 DKEBRN COc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000008368493 563612275 /nfs/dbraw/zinc/61/22/75/563612275.db2.gz AZTPJTKSPQHERJ-DJKKODMXSA-N 0 0 308.208 5.369 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1 ZINC000008371731 563922246 /nfs/dbraw/zinc/92/22/46/563922246.db2.gz WKXILRRKVWJCTK-PXLXIMEGSA-N 0 0 301.389 5.464 40 30 DKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000008371757 563615521 /nfs/dbraw/zinc/61/55/21/563615521.db2.gz SPFVXYPAINYHJQ-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1Cl ZINC000008371763 563615630 /nfs/dbraw/zinc/61/56/30/563615630.db2.gz VAHPPOBFMSUKSS-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000008371933 563922249 /nfs/dbraw/zinc/92/22/49/563922249.db2.gz SJFYMZXDLQKSJD-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000008371948 563922275 /nfs/dbraw/zinc/92/22/75/563922275.db2.gz XPMYOSGJGVOFFJ-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000008371953 563922257 /nfs/dbraw/zinc/92/22/57/563922257.db2.gz RENLTEVJBOWIEX-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000008371983 563922255 /nfs/dbraw/zinc/92/22/55/563922255.db2.gz ITGJBMXGZRKMDL-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 ZINC000008371989 563922444 /nfs/dbraw/zinc/92/24/44/563922444.db2.gz XKMRYWHXBVBZQV-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 ZINC000008371995 563615694 /nfs/dbraw/zinc/61/56/94/563615694.db2.gz FRZWZPYAFWSNTN-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN C=C(C[C@H](CCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000008437774 518649717 /nfs/dbraw/zinc/64/97/17/518649717.db2.gz VTFWGFWAVPVIAA-DEOSSOPVSA-N 0 0 312.456 6.507 40 30 endogenous,in-man DKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000008570583 563835368 /nfs/dbraw/zinc/83/53/68/563835368.db2.gz AZKGTRBXNJMSBE-UHFFFAOYSA-N 0 0 309.409 5.017 40 30 DKEBRN C=C(C)COc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000008570619 563835050 /nfs/dbraw/zinc/83/50/50/563835050.db2.gz HQMXZXJIZCDZMJ-UHFFFAOYSA-N 0 0 317.388 5.047 40 30 DKEBRN C=C(C)COc1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000008570662 563835041 /nfs/dbraw/zinc/83/50/41/563835041.db2.gz SNGPQDPJLLLUCK-UHFFFAOYSA-N 0 0 309.409 5.017 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccccc1C ZINC000008570799 563922530 /nfs/dbraw/zinc/92/25/30/563922530.db2.gz DLRIAUBJWVSRON-PXLXIMEGSA-N 0 0 301.389 5.464 40 30 DKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl ZINC000008570817 563922407 /nfs/dbraw/zinc/92/24/07/563922407.db2.gz GAWHDZLSQSLVAV-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1Cl ZINC000008570821 563634866 /nfs/dbraw/zinc/63/48/66/563634866.db2.gz HOIVKKKAXMNDAK-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000008570906 563922498 /nfs/dbraw/zinc/92/24/98/563922498.db2.gz MKTOSRVSXKHFEL-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccccc1/N=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000008570910 568414140 /nfs/dbraw/zinc/41/41/40/568414140.db2.gz XBOITFVPOJXDEP-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccccc2F)cc1 ZINC000008570913 563922434 /nfs/dbraw/zinc/92/24/34/563922434.db2.gz NVKJMZYCECWVPG-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1ccc(F)cc1 ZINC000008570928 563922446 /nfs/dbraw/zinc/92/24/46/563922446.db2.gz OJPXDOKDRINLFE-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1cccc(F)c1 ZINC000008570932 568414150 /nfs/dbraw/zinc/41/41/50/568414150.db2.gz PYQXIANXEPVYLI-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1ccccc1F ZINC000008570935 563922517 /nfs/dbraw/zinc/92/25/17/563922517.db2.gz JYVRFDQDDHVMTA-OEAKJJBVSA-N 0 0 319.379 5.464 40 30 DKEBRN CC(=O)c1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(C#N)CCC[C@@]21C ZINC000008602696 563348123 /nfs/dbraw/zinc/34/81/23/563348123.db2.gz RPSVTEGZYQRWAE-FKBYEOEOSA-N 0 0 323.480 5.546 40 30 DKEBRN O=C1c2cccc3cccc(c23)/C1=C1/Cc2cccc3cccc1c23 ZINC000008612716 563348025 /nfs/dbraw/zinc/34/80/25/563348025.db2.gz JSWJSPMNGGIXBV-BSYVCWPDSA-N 0 0 318.375 5.656 40 30 DKEBRN CCCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000008619427 519948877 /nfs/dbraw/zinc/94/88/77/519948877.db2.gz XAOKZOCQTVKSGX-PNLNHYMSSA-N 0 0 307.441 5.533 40 30 DKEBRN S[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000008627437 563348741 /nfs/dbraw/zinc/34/87/41/563348741.db2.gz RVMYDAOOVKCWPY-ZDUSSCGKSA-N 0 0 301.625 5.646 40 30 DKEBRN CCCCCCC(/C=N\N=C/c1ccco1)=C/c1ccccc1 ZINC000008637367 563348327 /nfs/dbraw/zinc/34/83/27/563348327.db2.gz AZLBRXMRKGFPSR-IKWCRZGNSA-N 0 0 308.425 5.738 40 30 DKEBRN C/C(=N/N=C(\Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000008637442 563348645 /nfs/dbraw/zinc/34/86/45/563348645.db2.gz IVIYBBWRZFZEIN-SAYYMRJBSA-N 0 0 312.416 5.143 40 30 DKEBRN C/C(=N\N=C(\Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000008637443 518459810 /nfs/dbraw/zinc/45/98/10/518459810.db2.gz IVIYBBWRZFZEIN-RNTBDFEGSA-N 0 0 312.416 5.143 40 30 DKEBRN C(=C/c1ccccc1)\C=N/N=C1c2ccccc2-c2ccccc21 ZINC000008637523 563348487 /nfs/dbraw/zinc/34/84/87/563348487.db2.gz QTIALTXBSFBWBB-DXWSVEMRSA-N 0 0 308.384 5.204 40 30 DKEBRN CC(=O)c1cc2c(cc1C(C)C)CC[C@H]1[C@@](C)(C#N)CCC[C@]21C ZINC000008642402 563348430 /nfs/dbraw/zinc/34/84/30/563348430.db2.gz RPSVTEGZYQRWAE-BHDDXSALSA-N 0 0 323.480 5.546 40 30 DKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccccc1Cl ZINC000008653192 181570909 /nfs/dbraw/zinc/57/09/09/181570909.db2.gz AOSIKJAEJNYRJB-VURMDHGXSA-N 0 0 311.595 5.543 40 30 DKEBRN C=C1CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(O)ccc1O ZINC000008655113 181570853 /nfs/dbraw/zinc/57/08/53/181570853.db2.gz FBMAHDGTCDISLJ-DVMWJLJYSA-N 0 0 314.469 5.439 40 30 DKEBRN C/C(=N\NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000008811625 563922415 /nfs/dbraw/zinc/92/24/15/563922415.db2.gz DRSHJYDUNOBUOL-HYARGMPZSA-N 0 0 308.812 5.007 40 30 DKEBRN C/C(=N\NCc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000008811644 563922443 /nfs/dbraw/zinc/92/24/43/563922443.db2.gz PICDRNBJUPBSDC-HYARGMPZSA-N 0 0 314.860 5.151 40 30 DKEBRN C/C(=N\NCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000010118911 563922621 /nfs/dbraw/zinc/92/26/21/563922621.db2.gz YRZDGIHTGRKPOF-HYARGMPZSA-N 0 0 308.812 5.007 40 30 DKEBRN C/C(=N\NCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010118923 563922644 /nfs/dbraw/zinc/92/26/44/563922644.db2.gz FGUBWGWGYLZGJG-HYARGMPZSA-N 0 0 314.860 5.151 40 30 DKEBRN C=CCc1cccc(/C=N/c2ccc(-c3ccccc3)cc2)c1O ZINC000011566406 563358226 /nfs/dbraw/zinc/35/82/26/563358226.db2.gz YAARTZYHJJSODG-XQNSMLJCSA-N 0 0 313.400 5.538 40 30 DKEBRN N#Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000011891977 563928334 /nfs/dbraw/zinc/92/83/34/563928334.db2.gz XWDTZUJGBHGBLT-UHFFFAOYSA-N 0 0 312.583 5.097 40 30 DKEBRN N#Cc1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000011959164 563928417 /nfs/dbraw/zinc/92/84/17/563928417.db2.gz IJIVFRZHGFLSEY-UHFFFAOYSA-N 0 0 309.368 5.444 40 30 DKEBRN Cc1ccsc1/C=N/c1cccn2cc(-c3ccccc3)nc12 ZINC000012042889 568418615 /nfs/dbraw/zinc/41/86/15/568418615.db2.gz WYEYHXVDKIPALO-UDWIEESQSA-N 0 0 317.417 5.122 40 30 DKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc2ccccc2c1 ZINC000012652446 563928771 /nfs/dbraw/zinc/92/87/71/563928771.db2.gz LEPLXYCVJIMSSP-FYJGNVAPSA-N 0 0 317.417 5.286 40 30 DKEBRN Cc1ccc(O)c(/N=C\c2sc3ccccc3c2Cl)c1 ZINC000013110416 563656884 /nfs/dbraw/zinc/65/68/84/563656884.db2.gz XHMAXRGFAJKLCU-NVMNQCDNSA-N 0 0 301.798 5.319 40 30 DKEBRN C/C(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)=N/O ZINC000013111950 563378224 /nfs/dbraw/zinc/37/82/24/563378224.db2.gz QTDZSUZTZNHIEH-GRSHGNNSSA-N 0 0 317.772 5.437 40 30 DKEBRN CC(C)(C)c1ccc(O)c(/N=C/c2c(O)ccc3ccccc32)c1 ZINC000013126534 563657269 /nfs/dbraw/zinc/65/72/69/563657269.db2.gz RXUUSHQNMCOPJZ-LPYMAVHISA-N 0 0 319.404 5.299 40 30 DKEBRN C(=Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cccs1 ZINC000013306898 563380027 /nfs/dbraw/zinc/38/00/27/563380027.db2.gz CPZIOCYLFZUHCV-XDHOZWIPSA-N 0 0 303.390 5.042 40 30 DKEBRN CC(=CCC/C(C)=C/CCc1ccoc1)C(=O)C=CC(C)C ZINC000013312574 519402469 /nfs/dbraw/zinc/40/24/69/519402469.db2.gz KICOQGUOSKQVSW-YPOGWSRFSA-N 0 0 300.442 5.810 40 30 biogenic,in-vitro DKEBRN C=C(C)c1ccc(C)cc1-c1c(O)cc(CCCCC)cc1O ZINC000013382976 518647567 /nfs/dbraw/zinc/64/75/67/518647567.db2.gz TWKHUZXSTKISQC-UHFFFAOYSA-N 0 0 310.437 5.839 40 30 in-vitro DKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(C(F)(F)F)cc1 ZINC000013406309 563381146 /nfs/dbraw/zinc/38/11/46/563381146.db2.gz KIRVADGRJHVVSY-JJFYIABZSA-N 0 0 315.294 5.315 40 30 DKEBRN CC(=N\c1c(C)cc(C)cc1C)/C(C)=N/c1c(C)cc(C)cc1C ZINC000013410064 190637667 /nfs/dbraw/zinc/63/76/67/190637667.db2.gz FJAOMTXFIFEIFY-BLVCXSLXSA-N 0 0 320.480 6.422 40 30 DKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(C)c(C)c1 ZINC000013586066 563383426 /nfs/dbraw/zinc/38/34/26/563383426.db2.gz QGHASUQZVULGNU-FYJGNVAPSA-N 0 0 321.251 5.124 40 30 DKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1cc(C)ccc1C ZINC000013586069 181865764 /nfs/dbraw/zinc/86/57/64/181865764.db2.gz VVVNQOSCVIIHOA-FYJGNVAPSA-N 0 0 321.251 5.124 40 30 DKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(C)cc1C ZINC000013586071 181865906 /nfs/dbraw/zinc/86/59/06/181865906.db2.gz NEJBBRXVYLAZEM-FYJGNVAPSA-N 0 0 321.251 5.124 40 30 DKEBRN CCc1ccc(/C(C)=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000013586073 563383280 /nfs/dbraw/zinc/38/32/80/563383280.db2.gz RNBWRSSASWZETO-CIAFOILYSA-N 0 0 321.251 5.070 40 30 DKEBRN CC(C)/C(=N\NCc1c(Cl)cccc1Cl)c1ccccc1 ZINC000013586078 181865668 /nfs/dbraw/zinc/86/56/68/181865668.db2.gz PMRMJNIIDLZEAI-HEHNFIMWSA-N 0 0 321.251 5.143 40 30 DKEBRN CC1C/C(=C\c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 ZINC000013687009 563469148 /nfs/dbraw/zinc/46/91/48/563469148.db2.gz XAFUACCGKZJENE-BQWARBPISA-N 0 0 324.370 5.431 40 30 DKEBRN C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc(O)cc1CCCCC ZINC000013816349 181901071 /nfs/dbraw/zinc/90/10/71/181901071.db2.gz YWEZXUNAYVCODW-RTBURBONSA-N 0 0 314.469 5.847 40 30 DKEBRN C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc(O)cc1CCCCC ZINC000013816356 563839197 /nfs/dbraw/zinc/83/91/97/563839197.db2.gz YWEZXUNAYVCODW-OALUTQOASA-N 0 0 314.469 5.847 40 30 DKEBRN O=C(/C=C/c1ccccc1)c1c2ccccc2cc2ccccc21 ZINC000013827280 181903782 /nfs/dbraw/zinc/90/37/82/181903782.db2.gz VRBVYRUYQIRTOW-CCEZHUSRSA-N 0 0 308.380 5.889 40 30 DKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1c(C)cccc1C ZINC000014356731 563839411 /nfs/dbraw/zinc/83/94/11/563839411.db2.gz BFERSJFCSZSXSW-MRCUWXFGSA-N 0 0 320.461 5.252 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2C)cs/c1=N\c1ccccc1 ZINC000014357288 181949089 /nfs/dbraw/zinc/94/90/89/181949089.db2.gz ATGXOUBHVMPIRD-MRCUWXFGSA-N 0 0 320.461 5.252 40 30 DKEBRN C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccccc1C ZINC000014357799 563566479 /nfs/dbraw/zinc/56/64/79/563566479.db2.gz GMXLKKZLIATVLK-MRCUWXFGSA-N 0 0 320.461 5.252 40 30 DKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1cc(C)ccc1C ZINC000014359637 563839245 /nfs/dbraw/zinc/83/92/45/563839245.db2.gz TXFYRJPEVDJEDO-MRCUWXFGSA-N 0 0 320.461 5.252 40 30 DKEBRN C=CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC ZINC000014397399 563667912 /nfs/dbraw/zinc/66/79/12/563667912.db2.gz WDHBROATIMFHNP-UHFFFAOYSA-N 0 0 323.436 5.108 40 30 DKEBRN CCc1cccc2c(/C=C3\Sc4ccccc4C3=O)c[nH]c21 ZINC000015009276 563405400 /nfs/dbraw/zinc/40/54/00/563405400.db2.gz KJNOVCQKAPPTSY-YVLHZVERSA-N 0 0 305.402 5.060 40 30 DKEBRN N#Cc1ccc(-c2ccc(/C=N/c3ccc(Cl)cc3)o2)cc1 ZINC000015229433 563408272 /nfs/dbraw/zinc/40/82/72/563408272.db2.gz VFDGOVBLCYZMJQ-CIAFOILYSA-N 0 0 306.752 5.222 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000016123906 182034883 /nfs/dbraw/zinc/03/48/83/182034883.db2.gz TXUDDFHDDNTVBF-FPYGCLRLSA-N 0 0 311.595 5.543 40 30 DKEBRN Cc1sc(/N=C/c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000016133878 256526520 /nfs/dbraw/zinc/52/65/20/256526520.db2.gz OAFHOJAAWOXWMD-YBFXNURJSA-N 0 0 312.825 5.523 40 30 DKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000016136463 563411639 /nfs/dbraw/zinc/41/16/39/563411639.db2.gz UXTAHMCWUIDEBP-ZHACJKMWSA-N 0 0 306.192 5.192 40 30 DKEBRN C/C(=N/OC(=O)c1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000016136676 518454439 /nfs/dbraw/zinc/45/44/39/518454439.db2.gz DFQSMDGKVVPROA-BKUYFWCQSA-N 0 0 323.779 5.074 40 30 DKEBRN C=CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000016138292 563839802 /nfs/dbraw/zinc/83/98/02/563839802.db2.gz RXZXZVTULCNEFL-UHFFFAOYSA-N 0 0 321.207 5.218 40 30 DKEBRN C=CCN(C(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000016138296 563839973 /nfs/dbraw/zinc/83/99/73/563839973.db2.gz IUPWMFJBGFAAIK-UHFFFAOYSA-N 0 0 302.377 5.064 40 30 DKEBRN CCc1ccc(C(=O)C=CNc2ccc(C(F)(F)F)cc2)cc1 ZINC000016161455 182035736 /nfs/dbraw/zinc/03/57/36/182035736.db2.gz OPWMNDHIKMOLMB-QXMHVHEDSA-N 0 0 319.326 5.076 40 30 DKEBRN Cc1cc(O/C=C/C(=O)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000016269376 563411497 /nfs/dbraw/zinc/41/14/97/563411497.db2.gz BOSPZSAOCIMJRH-BQYQJAHWSA-N 0 0 321.203 5.386 40 30 DKEBRN Cc1cc(O/C=C/C(=O)c2cccc3ccccc32)ccc1Cl ZINC000016282289 525352551 /nfs/dbraw/zinc/35/25/51/525352551.db2.gz JWVVJFSFXIDZLU-VAWYXSNFSA-N 0 0 322.791 5.577 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Oc2c(C)cc(Cl)cc2Cl)cc1 ZINC000016291685 563412236 /nfs/dbraw/zinc/41/22/36/563412236.db2.gz WWWWBAXJGDHEHQ-BQYQJAHWSA-N 0 0 321.203 5.386 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000016291687 190641430 /nfs/dbraw/zinc/64/14/30/190641430.db2.gz ZDOTZAFVDOYVPF-CMDGGOBGSA-N 0 0 300.785 5.041 40 30 DKEBRN Cc1ccc(C(=O)/C=C/Oc2ccc(Cl)cc2Cl)cc1 ZINC000016291688 190641423 /nfs/dbraw/zinc/64/14/23/190641423.db2.gz VTTWAFUTCQNWLO-CMDGGOBGSA-N 0 0 307.176 5.077 40 30 DKEBRN CC(=NOC(=O)Nc1ccc(C)cc1)c1cccc2ccccc21 ZINC000016293120 182039497 /nfs/dbraw/zinc/03/94/97/182039497.db2.gz FEGGXTRZIOEWMN-JCMHNJIXSA-N 0 0 318.376 5.121 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2ccc3ccccc3c2)cc1Cl ZINC000016312820 182039516 /nfs/dbraw/zinc/03/95/16/182039516.db2.gz XPWKUPYPYWHIRZ-KHPPLWFESA-N 0 0 321.807 5.610 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1Cl ZINC000016312823 182039614 /nfs/dbraw/zinc/03/96/14/182039614.db2.gz LKJBIKBIGSQZKW-QXMHVHEDSA-N 0 0 321.807 5.610 40 30 DKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1C ZINC000016347084 182042131 /nfs/dbraw/zinc/04/21/31/182042131.db2.gz WODVWEPPOYMFTN-FMIVXFBMSA-N 0 0 320.219 5.500 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C\c1c(O)cc(C)c(Cl)c1C ZINC000016347239 182041990 /nfs/dbraw/zinc/04/19/90/182041990.db2.gz YGTORFJRNIVIIN-UWVJOHFNSA-N 0 0 308.208 5.375 40 30 DKEBRN Cc1cccc(C(=O)C=CNc2ccc(Cl)cc2Cl)c1 ZINC000016349036 182041901 /nfs/dbraw/zinc/04/19/01/182041901.db2.gz KSMPMCWGRSZCNL-FPLPWBNLSA-N 0 0 306.192 5.110 40 30 DKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc(NC3CCCCC3)cc2)c1 ZINC000016399748 563412087 /nfs/dbraw/zinc/41/20/87/563412087.db2.gz VRACEBKQLIQLST-XSFVSMFZSA-N 0 0 323.396 5.090 40 30 DKEBRN O=C1c2ccccc2S/C1=C/c1c(Cl)cccc1Cl ZINC000016524238 182048238 /nfs/dbraw/zinc/04/82/38/182048238.db2.gz ZQJAADOIGHKBEA-RIYZIHGNSA-N 0 0 307.201 5.323 40 30 DKEBRN O=C(/C=C/Oc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000016526189 182048097 /nfs/dbraw/zinc/04/80/97/182048097.db2.gz PTGZWWFDIOIXPH-OUKQBFOZSA-N 0 0 308.764 5.269 40 30 DKEBRN O=C(C=CNc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000016526201 182048179 /nfs/dbraw/zinc/04/81/79/182048179.db2.gz PRPXRENHSPDSMX-QXMHVHEDSA-N 0 0 307.780 5.302 40 30 DKEBRN N#Cc1ccc(NC(=O)Nc2cccc3ccccc32)cc1Cl ZINC000016544975 182048866 /nfs/dbraw/zinc/04/88/66/182048866.db2.gz POPVPNCMLPTTEG-UHFFFAOYSA-N 0 0 321.767 5.009 40 30 DKEBRN O=C(/C=C/Oc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000016545053 182049239 /nfs/dbraw/zinc/04/92/39/182049239.db2.gz IRWSFNZTMMSPMF-OUKQBFOZSA-N 0 0 308.764 5.269 40 30 DKEBRN N#Cc1ccc(CSc2nc3ccccc3s2)c(Cl)c1 ZINC000016545468 182049205 /nfs/dbraw/zinc/04/92/05/182049205.db2.gz PUQYNRYGNOJIBR-UHFFFAOYSA-N 0 0 316.838 5.114 40 30 DKEBRN O=C(/C=C/Oc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000016545857 182049139 /nfs/dbraw/zinc/04/91/39/182049139.db2.gz YULSHEPLUDMMCU-VAWYXSNFSA-N 0 0 308.764 5.269 40 30 DKEBRN CC1CCN(c2c3ccccc3c(C#N)c3ccccc32)CC1 ZINC000016609307 134528552 /nfs/dbraw/zinc/52/85/52/134528552.db2.gz RKHOJUBNGGWPGN-UHFFFAOYSA-N 0 0 300.405 5.101 40 30 DKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(C)cc1C ZINC000016711513 182058556 /nfs/dbraw/zinc/05/85/56/182058556.db2.gz KMNDRHKCWBQFJW-MRCUWXFGSA-N 0 0 320.461 5.252 40 30 DKEBRN Clc1ccccc1NC(=NC1CCCCC1)c1ccccc1 ZINC000016780788 182060836 /nfs/dbraw/zinc/06/08/36/182060836.db2.gz IBYCJOPLLAZNRG-UHFFFAOYSA-N 0 0 312.844 5.341 40 30 DKEBRN C/C(=N\N=C(\C)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000016890803 182062613 /nfs/dbraw/zinc/06/26/13/182062613.db2.gz QSEXMNJCTCIKJC-UHWBUFEVSA-N 0 0 305.208 5.227 40 30 DKEBRN O=C(/C=C/c1ccccc1Cl)/C=C\c1ccccc1Cl ZINC000016890857 527634345 /nfs/dbraw/zinc/63/43/45/527634345.db2.gz OZBIBYIDJNVAOQ-DSOJMZEYSA-N 0 0 303.188 5.289 40 30 DKEBRN CC(=O)c1cc2c(cc1C(C)C)CC[C@@H]1[C@@]2(C)CCC[C@]1(C)C#N ZINC000016891819 182062584 /nfs/dbraw/zinc/06/25/84/182062584.db2.gz RPSVTEGZYQRWAE-BDTNDASRSA-N 0 0 323.480 5.546 40 30 DKEBRN CCCCCCC(=C\c1ccccc1)/C=N\N=C/c1ccco1 ZINC000016919105 519949178 /nfs/dbraw/zinc/94/91/78/519949178.db2.gz AZLBRXMRKGFPSR-CIOXWTNVSA-N 0 0 308.425 5.738 40 30 DKEBRN CCCCCCC(/C=N/N=C\c1ccco1)=C\c1ccccc1 ZINC000016919108 519947771 /nfs/dbraw/zinc/94/77/71/519947771.db2.gz AZLBRXMRKGFPSR-VTSJWHAXSA-N 0 0 308.425 5.738 40 30 DKEBRN CCCCCC(=C\c1ccccc1)/C=N\N=C/c1ccccc1O ZINC000016919597 182064442 /nfs/dbraw/zinc/06/44/42/182064442.db2.gz SPQAJJPMANNQQH-CWUSJMTLSA-N 0 0 320.436 5.461 40 30 DKEBRN CCCCCC(/C=N/N=C\c1ccccc1O)=C\c1ccccc1 ZINC000016919602 182064375 /nfs/dbraw/zinc/06/43/75/182064375.db2.gz SPQAJJPMANNQQH-JOJVTOHGSA-N 0 0 320.436 5.461 40 30 DKEBRN C/C(=N\N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000016919901 182064471 /nfs/dbraw/zinc/06/44/71/182064471.db2.gz IVIYBBWRZFZEIN-MAMLLYSWSA-N 0 0 312.416 5.143 40 30 DKEBRN Clc1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000016920943 182064479 /nfs/dbraw/zinc/06/44/79/182064479.db2.gz PSBAUXMLPGBSCL-XKZIYDEJSA-N 0 0 316.791 5.192 40 30 DKEBRN C(/C=C\c1ccccc1)=N\N=C1c2ccccc2-c2ccccc21 ZINC000016920968 182064602 /nfs/dbraw/zinc/06/46/02/182064602.db2.gz QTIALTXBSFBWBB-PDDAUMPVSA-N 0 0 308.384 5.204 40 30 DKEBRN C(\CCc1ccccc1)=N/N=C1c2ccccc2-c2ccccc21 ZINC000016920972 182064240 /nfs/dbraw/zinc/06/42/40/182064240.db2.gz VWGYNHHPLDIATC-XQNSMLJCSA-N 0 0 310.400 5.123 40 30 DKEBRN C[C@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000016920978 182064769 /nfs/dbraw/zinc/06/47/69/182064769.db2.gz MWZBPHFMLUFXLG-FLVDCRJSSA-N 0 0 324.427 5.369 40 30 DKEBRN C[C@@H](/C=N/N=C1c2ccccc2-c2ccccc21)Cc1ccccc1 ZINC000016920985 182064522 /nfs/dbraw/zinc/06/45/22/182064522.db2.gz MWZBPHFMLUFXLG-MXJLDLDKSA-N 0 0 324.427 5.369 40 30 DKEBRN Clc1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)s1 ZINC000016921009 182064287 /nfs/dbraw/zinc/06/42/87/182064287.db2.gz KZAZJZKRVIUSJT-RGVLZGJSSA-N 0 0 322.820 5.253 40 30 DKEBRN C(=N/c1ccccc1)\c1cn(Cc2ccccc2)c2ccccc12 ZINC000016929290 182065037 /nfs/dbraw/zinc/06/50/37/182065037.db2.gz NNSPGVOLAJAGOS-HZHRSRAPSA-N 0 0 310.400 5.440 40 30 DKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)c(Cl)c1 ZINC000016942827 521057549 /nfs/dbraw/zinc/05/75/49/521057549.db2.gz LTTOUUHVKAYFKL-JWEYOLHDSA-N 0 0 319.235 5.885 40 30 DKEBRN C/C(=C/C(=O)/C=C\c1ccccc1)c1c(C)[nH]c2ccccc21 ZINC000016952823 182065523 /nfs/dbraw/zinc/06/55/23/182065523.db2.gz YTBMDZFTXYXFIM-ZJQKOVPWSA-N 0 0 301.389 5.162 40 30 DKEBRN C/C(=C\C(=O)/C=C/c1ccccc1)c1c(C)[nH]c2ccccc21 ZINC000016952826 182065648 /nfs/dbraw/zinc/06/56/48/182065648.db2.gz YTBMDZFTXYXFIM-SQIWNDBBSA-N 0 0 301.389 5.162 40 30 DKEBRN FC(F)(F)c1cccc(/N=C/c2ccc(Cl)cc2Cl)c1 ZINC000016952987 182066069 /nfs/dbraw/zinc/06/60/69/182066069.db2.gz AHILDFMCWZMNBF-DNTJNYDQSA-N 0 0 318.125 5.763 40 30 DKEBRN Cc1cccc(C)c1/N=C(/c1ccccc1)N(O)c1ccccc1 ZINC000016954565 182065841 /nfs/dbraw/zinc/06/58/41/182065841.db2.gz QOQQSIAKQXIKJO-DQRAZIAOSA-N 0 0 316.404 5.278 40 30 DKEBRN ON(/C(=N\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000016954921 182065767 /nfs/dbraw/zinc/06/57/67/182065767.db2.gz RIMLEKYZILTMMY-VZCXRCSSSA-N 0 0 322.795 5.314 40 30 DKEBRN ON(/C(=N\c1ccccc1)c1ccccc1Cl)c1ccccc1 ZINC000016954922 182066111 /nfs/dbraw/zinc/06/61/11/182066111.db2.gz APXDNRLGOWHYNP-VZCXRCSSSA-N 0 0 322.795 5.314 40 30 DKEBRN O=C(/C=C/c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000016957581 182066611 /nfs/dbraw/zinc/06/66/11/182066611.db2.gz KXZODUXKLAXGEN-SOFGYWHQSA-N 0 0 311.595 5.543 40 30 DKEBRN C[C@@H]1CC/C(=C/c2ccc(F)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000016958974 182066336 /nfs/dbraw/zinc/06/63/36/182066336.db2.gz UEYYHMGQSHKMPJ-CNKCWCKNSA-N 0 0 324.370 5.431 40 30 DKEBRN COc1ccc(/C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016978836 182067177 /nfs/dbraw/zinc/06/71/77/182067177.db2.gz VOSYLUIXUDUEOF-QURGRASLSA-N 0 0 301.389 5.173 40 30 DKEBRN Cc1ccc(/N=C(\c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016978841 182067162 /nfs/dbraw/zinc/06/71/62/182067162.db2.gz DRCBABBQOHJJOL-QZQOTICOSA-N 0 0 316.360 5.072 40 30 DKEBRN c1ccc(CC(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000016979411 526463275 /nfs/dbraw/zinc/46/32/75/526463275.db2.gz BNNOJXRUNSUHFM-FOFZDOKDSA-N 0 0 314.392 5.439 40 30 DKEBRN C(=N\N=C(c1ccccc1)c1ccccc1)\c1ccc2c(c1)CCC2 ZINC000016980060 182067288 /nfs/dbraw/zinc/06/72/88/182067288.db2.gz JREJFYNMDUGYKV-ULJHMMPZSA-N 0 0 324.427 5.047 40 30 DKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000016980998 182067859 /nfs/dbraw/zinc/06/78/59/182067859.db2.gz XPUCGDUSZRAVLO-KRXBUXKQSA-N 0 0 311.595 5.543 40 30 DKEBRN O=C1/C(=C/c2ccccc2)[C@H]2CC[C@H](C2)/C1=C/c1ccccc1 ZINC000016999733 563412981 /nfs/dbraw/zinc/41/29/81/563412981.db2.gz FOJRXHSPXSKMCT-JSABTQADSA-N 0 0 300.401 5.153 40 30 DKEBRN O=C1/C(=C\c2ccccc2)[C@@H]2CC[C@@H](C2)/C1=C/c1ccccc1 ZINC000016999735 190642398 /nfs/dbraw/zinc/64/23/98/190642398.db2.gz FOJRXHSPXSKMCT-MPNBEMMISA-N 0 0 300.401 5.153 40 30 DKEBRN C/C(=N\N(Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000017014714 563413537 /nfs/dbraw/zinc/41/35/37/563413537.db2.gz TYCJTLXHHNZHBZ-RELWKKBWSA-N 0 0 300.405 5.117 40 30 DKEBRN Cc1ccc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000017023028 182068265 /nfs/dbraw/zinc/06/82/65/182068265.db2.gz VGTVNBIPGZZDEX-YVMONPNESA-N 0 0 305.204 5.506 40 30 DKEBRN O=C(/C=C\c1cccc2ccccc12)c1ccc2ccccc2c1 ZINC000017023034 182068226 /nfs/dbraw/zinc/06/82/26/182068226.db2.gz HTFOFUHKAZYGLA-PFONDFGASA-N 0 0 308.380 5.889 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(C)cc1 ZINC000017051790 182070400 /nfs/dbraw/zinc/07/04/00/182070400.db2.gz FKMZRXKKZWQPKV-QZQOTICOSA-N 0 0 320.461 5.252 40 30 DKEBRN CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/O ZINC000017060401 519949452 /nfs/dbraw/zinc/94/94/52/519949452.db2.gz YZGDEEMSAYQUKK-OMIQRVFBSA-N 0 0 300.229 5.807 40 30 DKEBRN CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\O ZINC000017060402 519946298 /nfs/dbraw/zinc/94/62/98/519946298.db2.gz YZGDEEMSAYQUKK-LEMQAASRSA-N 0 0 300.229 5.807 40 30 DKEBRN CCCCCCC(/C=C\c1c(Cl)cccc1Cl)=N/O ZINC000017061946 519946273 /nfs/dbraw/zinc/94/62/73/519946273.db2.gz PUEGRAKIEVPHNE-AJEUYDSOSA-N 0 0 300.229 5.807 40 30 DKEBRN CCCCCCC(/C=C/c1c(Cl)cccc1Cl)=N\O ZINC000017061948 519946110 /nfs/dbraw/zinc/94/61/10/519946110.db2.gz PUEGRAKIEVPHNE-RJXLRZCOSA-N 0 0 300.229 5.807 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\Sc1ccc(Cl)cc1 ZINC000017062362 182073850 /nfs/dbraw/zinc/07/38/50/182073850.db2.gz CYLRWWIYEBHCSL-ODLFYWEKSA-N 0 0 313.809 5.325 40 30 DKEBRN CC(C)c1ccccc1Oc1ccccc1/N=C1/CCN(C)C1 ZINC000017064231 182074082 /nfs/dbraw/zinc/07/40/82/182074082.db2.gz XOAORAZSHRYBHP-PGMHBOJBSA-N 0 0 308.425 5.010 40 30 DKEBRN O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000017105821 182074693 /nfs/dbraw/zinc/07/46/93/182074693.db2.gz DVBLDSGHLUAKPX-HMMYKYKNSA-N 0 0 318.803 5.764 40 30 DKEBRN CC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1Cl ZINC000017107680 182074878 /nfs/dbraw/zinc/07/48/78/182074878.db2.gz KDEGLILOUQEKBV-KNGDHKCXSA-N 0 0 305.208 5.495 40 30 DKEBRN CC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1Cl ZINC000017107682 182074895 /nfs/dbraw/zinc/07/48/95/182074895.db2.gz KDEGLILOUQEKBV-WRGVHVQVSA-N 0 0 305.208 5.495 40 30 DKEBRN CC(=CCc1ccccc1)N=Nc1ccc(Cl)cc1Cl ZINC000017107684 182074676 /nfs/dbraw/zinc/07/46/76/182074676.db2.gz KDEGLILOUQEKBV-WXWBPFRRSA-N 0 0 305.208 5.495 40 30 DKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccs1 ZINC000017124091 527656106 /nfs/dbraw/zinc/65/61/06/527656106.db2.gz MKSMRBDQELHEBO-RAXLEYEMSA-N 0 0 320.413 5.223 40 30 DKEBRN CCCCCCC(=O)/C=C\c1cccc(OCc2ccccc2)c1 ZINC000017127546 519948432 /nfs/dbraw/zinc/94/84/32/519948432.db2.gz CZHBCOLSEOTYMA-NXVVXOECSA-N 0 0 322.448 5.818 40 30 DKEBRN C[C@@H](Nc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1 ZINC000017140245 182076935 /nfs/dbraw/zinc/07/69/35/182076935.db2.gz OVENJBDUDLAIHM-QGZVFWFLSA-N 0 0 315.420 5.329 40 30 DKEBRN C[C@H](Nc1ccccc1)/C(=N\c1ccccc1)Nc1ccccc1 ZINC000017140247 182077113 /nfs/dbraw/zinc/07/71/13/182077113.db2.gz OVENJBDUDLAIHM-KRWDZBQOSA-N 0 0 315.420 5.329 40 30 DKEBRN CC1(C)CC(Nc2ccccc2)=C/C(=N/c2ccccc2)S1 ZINC000017142937 182076994 /nfs/dbraw/zinc/07/69/94/182076994.db2.gz QTTIYHVOGGDRHF-UZYVYHOESA-N 0 0 308.450 5.628 40 30 DKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)c(Cl)c1 ZINC000017142990 521057076 /nfs/dbraw/zinc/05/70/76/521057076.db2.gz LTTOUUHVKAYFKL-OKJNKMMMSA-N 0 0 319.235 5.885 40 30 DKEBRN CCC(=CCc1ccccc1)N=Nc1ccc(Cl)c(Cl)c1 ZINC000017142991 521058340 /nfs/dbraw/zinc/05/83/40/521058340.db2.gz LTTOUUHVKAYFKL-ZHBDLUIPSA-N 0 0 319.235 5.885 40 30 DKEBRN Clc1ccccc1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000017146302 182077070 /nfs/dbraw/zinc/07/70/70/182077070.db2.gz RQANWMRAMAMUPT-LPYMAVHISA-N 0 0 303.792 5.662 40 30 DKEBRN C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1cccc2ccccc12 ZINC000017147036 182077225 /nfs/dbraw/zinc/07/72/25/182077225.db2.gz ANBJXMZQKPJSMF-PCLIKHOPSA-N 0 0 319.407 6.162 40 30 DKEBRN Cc1ccc(/N=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000017148281 182077032 /nfs/dbraw/zinc/07/70/32/182077032.db2.gz YNIHQFHZKWPBEI-QZQOTICOSA-N 0 0 314.344 5.053 40 30 DKEBRN O=C(/C=C\c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000017197270 182079156 /nfs/dbraw/zinc/07/91/56/182079156.db2.gz KMHFPKWODSHRBC-YVMONPNESA-N 0 0 311.595 5.543 40 30 DKEBRN COc1ccc(/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000017197430 182079279 /nfs/dbraw/zinc/07/92/79/182079279.db2.gz MDDBEOBVGULHNN-PGMHBOJBSA-N 0 0 314.384 5.119 40 30 DKEBRN O=C(/C(=C\c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000017197434 182079303 /nfs/dbraw/zinc/07/93/03/182079303.db2.gz JKIKWBGOHFTJEG-HKWRFOASSA-N 0 0 302.348 5.249 40 30 DKEBRN COc1ccccc1/C=C(\C(=O)c1ccccc1)c1ccccc1 ZINC000017197436 182079129 /nfs/dbraw/zinc/07/91/29/182079129.db2.gz XFMKEYJVZOYKKQ-SILNSSARSA-N 0 0 314.384 5.119 40 30 DKEBRN O=C(/C(=C\c1cccc(Cl)c1)c1ccccc1)c1ccccc1 ZINC000017197443 182080052 /nfs/dbraw/zinc/08/00/52/182080052.db2.gz VWTIUGQTUGJJQC-HKWRFOASSA-N 0 0 318.803 5.764 40 30 DKEBRN O=C(/C(=C\c1ccccc1Cl)c1ccccc1)c1ccccc1 ZINC000017197445 182080064 /nfs/dbraw/zinc/08/00/64/182080064.db2.gz ZNZQONDKQMQNQO-CYVLTUHYSA-N 0 0 318.803 5.764 40 30 DKEBRN O=C(Nc1ccccc1)O/N=C1/CCCCC1=Cc1ccccc1 ZINC000017198626 182079865 /nfs/dbraw/zinc/07/98/65/182079865.db2.gz LKOSOOKZYUARPW-CQRFWXMASA-N 0 0 320.392 5.249 40 30 DKEBRN O=C(/C=C\c1cccc2ccccc12)c1cccc2ccccc21 ZINC000017210652 182080106 /nfs/dbraw/zinc/08/01/06/182080106.db2.gz WXTUPKOMTOZRJM-NXVVXOECSA-N 0 0 308.380 5.889 40 30 DKEBRN O=C(/C(=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000017212259 182079883 /nfs/dbraw/zinc/07/98/83/182079883.db2.gz CFOUQRQVAWHVTI-HKWRFOASSA-N 0 0 318.803 5.764 40 30 DKEBRN CCC(/C=C\c1ccccc1)=N\N=C(\C=C/c1ccccc1)CC ZINC000017220984 521057416 /nfs/dbraw/zinc/05/74/16/521057416.db2.gz IVCNYXRCPLLZKP-ZHQLLURQSA-N 0 0 316.448 6.030 40 30 DKEBRN CCC(/C=C\c1ccccc1)=N\N=C(/C=C\c1ccccc1)CC ZINC000017220990 521057276 /nfs/dbraw/zinc/05/72/76/521057276.db2.gz IVCNYXRCPLLZKP-DEHCLEDRSA-N 0 0 316.448 6.030 40 30 DKEBRN Cc1ccc(/N=C/C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000017286100 182080748 /nfs/dbraw/zinc/08/07/48/182080748.db2.gz PBHQLTLKJIJGFY-VBIHIHSNSA-N 0 0 312.416 5.827 40 30 DKEBRN Cc1cc(O)c(C(C)C)cc1/N=C/c1ccc(Cl)cc1Cl ZINC000017287784 182080969 /nfs/dbraw/zinc/08/09/69/182080969.db2.gz MDRHTGYGUIHEBS-AWQFTUOYSA-N 0 0 322.235 5.881 40 30 DKEBRN CCN(CC)c1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1 ZINC000017288030 520885113 /nfs/dbraw/zinc/88/51/13/520885113.db2.gz UBALVLNVVLVINJ-HMAPJEAMSA-N 0 0 324.468 5.421 40 30 DKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(Cl)c(Cl)c1 ZINC000017288051 182080647 /nfs/dbraw/zinc/08/06/47/182080647.db2.gz FIGFHWWHVKRICL-UKWGHVSLSA-N 0 0 322.235 5.881 40 30 DKEBRN Clc1ccc(C=NN=c2[nH]c3ccccc3s2)c(Cl)c1 ZINC000017302725 182082340 /nfs/dbraw/zinc/08/23/40/182082340.db2.gz YUPRYQYVCWVVLK-IUXPMGMMSA-N 0 0 322.220 5.049 40 30 DKEBRN Cl/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000017310992 182082681 /nfs/dbraw/zinc/08/26/81/182082681.db2.gz SZSIRXZHFLKUBD-XUTLUUPISA-N 0 0 306.796 5.751 40 30 DKEBRN O=C(/C(Cl)=C\c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017314029 182083134 /nfs/dbraw/zinc/08/31/34/182083134.db2.gz JEJKHLOVEXYACF-NTEUORMPSA-N 0 0 311.595 5.456 40 30 DKEBRN C(=N/c1ccc2ccc3cccc4ccc1c2c34)\c1ccncc1 ZINC000017376314 563414521 /nfs/dbraw/zinc/41/45/21/563414521.db2.gz RPQVYYCWTCHISJ-ZVHZXABRSA-N 0 0 306.368 5.730 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](S)CC[C@@]43C)[C@@H]1CC[C@@H]2S ZINC000017417863 563414675 /nfs/dbraw/zinc/41/46/75/563414675.db2.gz YIQVBLCKTUNEGW-VXZRPZIYSA-N 0 0 324.599 5.626 40 30 DKEBRN Cc1ccc([C@@]2(C)CC/C(=N\O)c3cc(C)c(C)cc32)cc1C ZINC000017422213 563414497 /nfs/dbraw/zinc/41/44/97/563414497.db2.gz XPJAADKGRAEPDC-JBCNATCCSA-N 0 0 307.437 5.198 40 30 DKEBRN Cc1ccc([C@]2(C)CC/C(=N\O)c3cc(C)c(C)cc32)cc1C ZINC000017422217 563414849 /nfs/dbraw/zinc/41/48/49/563414849.db2.gz XPJAADKGRAEPDC-MRJHHRETSA-N 0 0 307.437 5.198 40 30 DKEBRN C(\Cc1ccccc1)=N/c1ccc(/N=C\Cc2ccccc2)cc1 ZINC000017422394 563414475 /nfs/dbraw/zinc/41/44/75/563414475.db2.gz BOVMFJGSVKOJEA-QFFDILLMSA-N 0 0 312.416 5.577 40 30 DKEBRN Clc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000017747517 563414776 /nfs/dbraw/zinc/41/47/76/563414776.db2.gz YJZXPHHSCIRSBA-KEBDBYFISA-N 0 0 308.252 5.381 40 30 DKEBRN FC(F)(F)c1ccccc1/C=N/C12CC3CC(CC(C3)C1)C2 ZINC000017777802 331575517 /nfs/dbraw/zinc/57/55/17/331575517.db2.gz RUJYCLYAUYIMSU-SSDVNMTOSA-N 0 0 307.359 5.093 40 30 DKEBRN CCSC(=NC)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000017780214 521695531 /nfs/dbraw/zinc/69/55/31/521695531.db2.gz OZRQVKMZVPFEMS-UHFFFAOYSA-N 0 0 320.845 5.283 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(/C=N\c3ccc(C)cc3)cc2)cc1 ZINC000017917725 182087492 /nfs/dbraw/zinc/08/74/92/182087492.db2.gz ROQLXPPNAATARP-REPVBDINSA-N 0 0 312.416 5.805 40 30 DKEBRN c1ccc(CC(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000017952279 526462955 /nfs/dbraw/zinc/46/29/55/526462955.db2.gz BNNOJXRUNSUHFM-JVVTXYFXSA-N 0 0 314.392 5.439 40 30 DKEBRN Clc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000018007028 182089831 /nfs/dbraw/zinc/08/98/31/182089831.db2.gz IWRNISVIASUDSF-LPYMAVHISA-N 0 0 303.792 5.662 40 30 DKEBRN CC[C@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 ZINC000018010546 182089735 /nfs/dbraw/zinc/08/97/35/182089735.db2.gz DIGFDSKHRTWNJX-HOGKFDNTSA-N 0 0 312.416 5.538 40 30 DKEBRN O=C(/C=C\c1ccccc1)c1ccc(/N=C\c2ccccc2)cc1 ZINC000018031616 527658017 /nfs/dbraw/zinc/65/80/17/527658017.db2.gz AWZUBXVXZYOHJJ-GCKMDHMFSA-N 0 0 311.384 5.333 40 30 DKEBRN Cc1c(Cl)cccc1NC=CC(=O)c1ccc(Cl)cc1 ZINC000018036973 182090328 /nfs/dbraw/zinc/09/03/28/182090328.db2.gz YGKLWIVIEVYGPK-MDZDMXLPSA-N 0 0 306.192 5.110 40 30 DKEBRN Fc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2F)cc1 ZINC000018038242 182090330 /nfs/dbraw/zinc/09/03/30/182090330.db2.gz APKZTEMTWQNLIF-RNIAWFEPSA-N 0 0 320.342 5.466 40 30 DKEBRN FC(F)(F)c1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 ZINC000018044640 182090268 /nfs/dbraw/zinc/09/02/68/182090268.db2.gz SNHRBGUCTQBQPK-SSDVNMTOSA-N 0 0 307.359 5.093 40 30 DKEBRN CN(C)c1cc2c(cc1/N=C/c1ccccc1)-c1ccccc1C2 ZINC000018063028 182091050 /nfs/dbraw/zinc/09/10/50/182091050.db2.gz ZFDCBPPTLBZNCI-HZHRSRAPSA-N 0 0 312.416 5.074 40 30 DKEBRN Cc1ccc(C)c2c1CC/C2=N\N=C1/CCc2c1c(C)ccc2C ZINC000018067665 182091908 /nfs/dbraw/zinc/09/19/08/182091908.db2.gz CZCIJTPSAPDRKE-BLVCXSLXSA-N 0 0 316.448 5.006 40 30 DKEBRN COc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000018084881 182092475 /nfs/dbraw/zinc/09/24/75/182092475.db2.gz HLJXCFUTNROPTR-QYINSJCOSA-N 0 0 315.376 5.861 40 30 DKEBRN CCCCCCOc1ccc(/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000018090503 520105550 /nfs/dbraw/zinc/10/55/50/520105550.db2.gz HCFWSHIXJCKIHK-OQKWZONESA-N 0 0 324.468 5.462 40 30 DKEBRN Brc1c(/N=C/c2ccccc2)ccc2ccccc12 ZINC000018090824 182092553 /nfs/dbraw/zinc/09/25/53/182092553.db2.gz GPEKPNUIYRXQCX-XDHOZWIPSA-N 0 0 310.194 5.353 40 30 DKEBRN Clc1cc(Cl)cc(/C=N/C23CC4CC(CC(C4)C2)C3)c1 ZINC000018102707 182093246 /nfs/dbraw/zinc/09/32/46/182093246.db2.gz DUNHKUVZACYFMR-KEBDBYFISA-N 0 0 308.252 5.381 40 30 DKEBRN Clc1ccc(/C=N/c2cccc3ccccc32)cc1Cl ZINC000018102770 182093322 /nfs/dbraw/zinc/09/33/22/182093322.db2.gz YPPCAEJHDOFNKI-RGVLZGJSSA-N 0 0 300.188 5.897 40 30 DKEBRN ClC1=C(C=Nc2ccccc2)CCCC1=CNc1ccccc1 ZINC000018114830 563415372 /nfs/dbraw/zinc/41/53/72/563415372.db2.gz OQLQDSZUBLCILN-CPXQZVORSA-N 0 0 322.839 6.062 40 30 DKEBRN CCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 ZINC000018118676 520102312 /nfs/dbraw/zinc/10/23/12/520102312.db2.gz YOHYLRXYXRBXOP-OQKWZONESA-N 0 0 309.453 5.959 40 30 DKEBRN O=C(/C=C/c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000018119969 182093971 /nfs/dbraw/zinc/09/39/71/182093971.db2.gz AWZUBXVXZYOHJJ-XGJDHLGVSA-N 0 0 311.384 5.333 40 30 DKEBRN FC(F)(F)c1cccc(/C=N/C23CC4CC(CC(C4)C2)C3)c1 ZINC000018127988 182093713 /nfs/dbraw/zinc/09/37/13/182093713.db2.gz XYIRUPKPWGZIGW-SSDVNMTOSA-N 0 0 307.359 5.093 40 30 DKEBRN Clc1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000018128788 182093854 /nfs/dbraw/zinc/09/38/54/182093854.db2.gz OLXXNSLCIAHKSO-KEBDBYFISA-N 0 0 308.252 5.381 40 30 DKEBRN C(\Cc1ccccc1)=N\c1ccc(/N=C\Cc2ccccc2)cc1 ZINC000018128852 182093969 /nfs/dbraw/zinc/09/39/69/182093969.db2.gz BOVMFJGSVKOJEA-BOYKQRMESA-N 0 0 312.416 5.577 40 30 DKEBRN C=CCN(/N=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000018182684 182097204 /nfs/dbraw/zinc/09/72/04/182097204.db2.gz QAMOZSHTXPKNTM-VHEBQXMUSA-N 0 0 306.196 5.685 40 30 DKEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000018208972 182098634 /nfs/dbraw/zinc/09/86/34/182098634.db2.gz YUKPSVJYPSYVLB-HAHDFKILSA-N 0 0 312.416 5.074 40 30 DKEBRN Fc1ccc(/N=C/c2ccc(/C=N\c3ccc(F)cc3)cc2)cc1 ZINC000018212523 182098657 /nfs/dbraw/zinc/09/86/57/182098657.db2.gz VBCDABROGMPOGB-NQGGHMMCSA-N 0 0 320.342 5.466 40 30 DKEBRN CCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000019074670 182103817 /nfs/dbraw/zinc/10/38/17/182103817.db2.gz XHSYKSDZHRVXHX-UHFFFAOYSA-N 0 0 311.428 6.235 40 30 DKEBRN Cc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 ZINC000020242112 563922835 /nfs/dbraw/zinc/92/28/35/563922835.db2.gz YCOISRWTIFUAFB-PXLXIMEGSA-N 0 0 317.457 6.038 40 30 DKEBRN Fc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242118 563922775 /nfs/dbraw/zinc/92/27/75/563922775.db2.gz QNECVZUILOVXFX-HYARGMPZSA-N 0 0 321.420 5.869 40 30 DKEBRN C(=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)\c1ccco1 ZINC000020242131 563922741 /nfs/dbraw/zinc/92/27/41/563922741.db2.gz JZHJPRLIAZJJDK-HYARGMPZSA-N 0 0 305.421 5.498 40 30 DKEBRN Oc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242153 563922717 /nfs/dbraw/zinc/92/27/17/563922717.db2.gz QEDVTRXGWULLOS-KGENOOAVSA-N 0 0 319.429 5.435 40 30 DKEBRN C(=N/c1ccc(CSc2ccccc2)cc1)\c1ccccc1 ZINC000020242168 563922823 /nfs/dbraw/zinc/92/28/23/563922823.db2.gz ZHMSCYJGOAEDFE-RCCKNPSSSA-N 0 0 303.430 5.730 40 30 DKEBRN Cc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242188 563922919 /nfs/dbraw/zinc/92/29/19/563922919.db2.gz YWZNCHNSZVGTDM-PXLXIMEGSA-N 0 0 317.457 6.038 40 30 DKEBRN Fc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242220 563674619 /nfs/dbraw/zinc/67/46/19/563674619.db2.gz VERCDBZGJMNOSV-HYARGMPZSA-N 0 0 321.420 5.869 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1 ZINC000021012864 256528928 /nfs/dbraw/zinc/52/89/28/256528928.db2.gz PETMVGHFCUHWJC-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1ccc2ccccc2n1 ZINC000022246419 182315094 /nfs/dbraw/zinc/31/50/94/182315094.db2.gz KBLQMCOPFRGJEI-BUVRLJJBSA-N 0 0 320.395 5.557 40 30 DKEBRN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\C[C@@H]3CC[C@@]1(C)C3(C)C)C2 ZINC000025627878 333405389 /nfs/dbraw/zinc/40/53/89/333405389.db2.gz BKQBIDOFONHMJM-ZCGSNEKDSA-N 0 0 300.490 5.476 40 30 DKEBRN CCN1c2c(ccc3ccccc23)O/C1=C\C=N/c1ccccc1 ZINC000025692010 521730189 /nfs/dbraw/zinc/73/01/89/521730189.db2.gz BZPLUWXNYXSIGU-MVQASTMRSA-N 0 0 314.388 5.302 40 30 DKEBRN CCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C)cc1 ZINC000025692027 563959829 /nfs/dbraw/zinc/95/98/29/563959829.db2.gz HZMGSLGTEKJQAG-JSNSANJGSA-N 0 0 323.425 5.524 40 30 DKEBRN CCc1ccc(OCC[C@H](CC)CC[C@@H]2O[C@@]2(C)CC)cc1 ZINC000025725914 563922954 /nfs/dbraw/zinc/92/29/54/563922954.db2.gz YHDXOFFTMOZZPE-HOJAQTOUSA-N 0 0 304.474 5.392 40 30 DKEBRN CCc1ccc(OCC[C@H](CC)CC[C@H]2O[C@@]2(C)CC)cc1 ZINC000025725925 563922900 /nfs/dbraw/zinc/92/29/00/563922900.db2.gz YHDXOFFTMOZZPE-RLLQIKCJSA-N 0 0 304.474 5.392 40 30 DKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2=CNc1cccc2ccccc21 ZINC000025758553 568412840 /nfs/dbraw/zinc/41/28/40/568412840.db2.gz RFIFCGHQPVORJB-OIWKVIMASA-N 0 0 305.421 5.161 40 30 DKEBRN CC(C)=CCC/C=C(\C)CC[C@]1(C)C=CC2=C(CCCC2=O)O1 ZINC000026897502 519402145 /nfs/dbraw/zinc/40/21/45/519402145.db2.gz LMGHOOQOKDPHHC-DDPFVEHASA-N 0 0 314.469 5.812 40 30 DKEBRN CC(C)=CCC/C=C(\C)CC[C@@]1(C)C=CC2=C(CCCC2=O)O1 ZINC000026897503 519402630 /nfs/dbraw/zinc/40/26/30/519402630.db2.gz LMGHOOQOKDPHHC-XHNXRLJJSA-N 0 0 314.469 5.812 40 30 DKEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000027026871 518659633 /nfs/dbraw/zinc/65/96/33/518659633.db2.gz OLWHZTVNTJCXBP-PIGZYNQJSA-N 0 0 324.251 5.314 40 30 DKEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000027026877 518659382 /nfs/dbraw/zinc/65/93/82/518659382.db2.gz OLWHZTVNTJCXBP-GTNSWQLSSA-N 0 0 324.251 5.314 40 30 DKEBRN N#CC(c1ccccc1)(c1ccccc1)c1ccccc1Cl ZINC000027105797 563427490 /nfs/dbraw/zinc/42/74/90/563427490.db2.gz JHNRTPKGSCVKKC-UHFFFAOYSA-N 0 0 303.792 5.198 40 30 in-vitro DKEBRN C=C(C)[C@H]1CC[C@H](C)C[C@H]1c1c(O)cc(CCCCC)cc1O ZINC000027644450 518646568 /nfs/dbraw/zinc/64/65/68/518646568.db2.gz CODIXLGYYWMJFS-CGTJXYLNSA-N 0 0 316.485 5.926 40 30 in-vitro DKEBRN C=C(C)[C@H]1CC[C@@H](C)C[C@H]1c1c(O)cc(CCCCC)cc1O ZINC000027644458 518646752 /nfs/dbraw/zinc/64/67/52/518646752.db2.gz CODIXLGYYWMJFS-KBAYOESNSA-N 0 0 316.485 5.926 40 30 in-vitro DKEBRN C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@@H]1CC3 ZINC000028641858 182531964 /nfs/dbraw/zinc/53/19/64/182531964.db2.gz DWTRNJFPDXIFSY-VRNFHHEUSA-N 0 0 316.485 5.129 40 30 biogenic,in-vitro DKEBRN C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@H]1CC3 ZINC000028641859 563940244 /nfs/dbraw/zinc/94/02/44/563940244.db2.gz DWTRNJFPDXIFSY-ZNUBSMLTSA-N 0 0 316.485 5.129 40 30 biogenic,in-vitro DKEBRN C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)OC)[C@@H]1CC3 ZINC000028641860 182532796 /nfs/dbraw/zinc/53/27/96/182532796.db2.gz DWTRNJFPDXIFSY-ZAWDRSOMSA-N 0 0 316.485 5.129 40 30 biogenic,in-vitro DKEBRN C=CC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1 ZINC000031157858 560090632 /nfs/dbraw/zinc/09/06/32/560090632.db2.gz OOXBEOHCOCMKAC-UTOQUPLUSA-N 0 0 314.469 6.060 40 30 biogenic,in-vivo DKEBRN CCCCC[C@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)OC ZINC000031356822 563878137 /nfs/dbraw/zinc/87/81/37/563878137.db2.gz JTSVQVYMBXVLFI-YWBNETDUSA-N 0 0 310.478 5.184 40 30 DKEBRN Clc1ccc(C=NNc2nc3ccccc3s2)cc1Cl ZINC000031628486 182618213 /nfs/dbraw/zinc/61/82/13/182618213.db2.gz ASMRUCJMYFRMHJ-IUXPMGMMSA-N 0 0 322.220 5.049 40 30 DKEBRN N#CCC[C@@]1(c2ccccc2)CCC/C(=C/c2ccccc2)C1=O ZINC000031667427 182619145 /nfs/dbraw/zinc/61/91/45/182619145.db2.gz HFVROWTXMAFYPY-BZCZAOFBSA-N 0 0 315.416 5.065 40 30 DKEBRN N#CCC[C@]1(c2ccccc2)CCC/C(=C/c2ccccc2)C1=O ZINC000031667429 182619492 /nfs/dbraw/zinc/61/94/92/182619492.db2.gz HFVROWTXMAFYPY-XKONBMNXSA-N 0 0 315.416 5.065 40 30 DKEBRN CCCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000031667573 519948279 /nfs/dbraw/zinc/94/82/79/519948279.db2.gz XAOKZOCQTVKSGX-IFOOIOCMSA-N 0 0 307.441 5.533 40 30 DKEBRN CCCCCCC(=CN=Nc1ccccn1)Cc1ccccc1 ZINC000031667575 519947956 /nfs/dbraw/zinc/94/79/56/519947956.db2.gz XAOKZOCQTVKSGX-FSVXVPGWSA-N 0 0 307.441 5.533 40 30 DKEBRN C[C@@H]1CC/C(=C\c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000031894609 563441429 /nfs/dbraw/zinc/44/14/29/563441429.db2.gz UEYYHMGQSHKMPJ-QXVBGXPVSA-N 0 0 324.370 5.431 40 30 DKEBRN CCCCCCCCCCCCCCC(C)(CCO)CCO ZINC000032098858 563811770 /nfs/dbraw/zinc/81/17/70/563811770.db2.gz PZOLBUDWXPGFDG-UHFFFAOYSA-N 0 0 314.554 5.849 40 30 DKEBRN CC1(C)CC(=O)C=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000032100105 563441219 /nfs/dbraw/zinc/44/12/19/563441219.db2.gz RFIVUMXMMDFGEM-GHVJWSGMSA-N 0 0 319.408 5.787 40 30 DKEBRN CC(=CC(=O)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 ZINC000032100312 563441042 /nfs/dbraw/zinc/44/10/42/563441042.db2.gz ZSKSPXYSBMUICA-YRNVUSSQSA-N 0 0 306.192 5.192 40 30 DKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000032100429 563441974 /nfs/dbraw/zinc/44/19/74/563441974.db2.gz JKMFJIWCCKMWSH-KPKJPENVSA-N 0 0 320.219 5.500 40 30 DKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(Cl)c1Cl ZINC000032100434 563441784 /nfs/dbraw/zinc/44/17/84/563441784.db2.gz JJHALILNOPHDKI-ZRDIBKRKSA-N 0 0 320.219 5.500 40 30 DKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Cl)cc1Cl ZINC000032100436 563441703 /nfs/dbraw/zinc/44/17/03/563441703.db2.gz YHZSHOZASWHZKZ-FMIVXFBMSA-N 0 0 320.219 5.500 40 30 DKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000032100524 563442008 /nfs/dbraw/zinc/44/20/08/563442008.db2.gz JUZRNWMXYBGBOH-PKNBQFBNSA-N 0 0 306.192 5.192 40 30 DKEBRN CCc1cccc(C)c1NC(C)=CC(=O)c1ccc(Cl)cc1 ZINC000032100553 563442006 /nfs/dbraw/zinc/44/20/06/563442006.db2.gz ULRRAQCQJZTVNK-WYMLVPIESA-N 0 0 313.828 5.409 40 30 DKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccccc1C(C)C ZINC000032100565 563441806 /nfs/dbraw/zinc/44/18/06/563441806.db2.gz GIXIHJAZKGXPPQ-WYMLVPIESA-N 0 0 313.828 5.662 40 30 DKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1C ZINC000032100583 563441942 /nfs/dbraw/zinc/44/19/42/563441942.db2.gz SSQJODREBJERLW-ZHACJKMWSA-N 0 0 320.219 5.500 40 30 DKEBRN Oc1c(/C=N/c2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000032101611 563441861 /nfs/dbraw/zinc/44/18/61/563441861.db2.gz KZBBIQYIKNGLJY-SSDVNMTOSA-N 0 0 315.294 5.315 40 30 DKEBRN Oc1c(/C=N/c2cc(Cl)cc(Cl)c2)ccc2ccccc12 ZINC000032101682 563441881 /nfs/dbraw/zinc/44/18/81/563441881.db2.gz FKUACTFXYUIMIV-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N/c2ccc(Cl)c(Cl)c2)ccc2ccccc12 ZINC000032101686 563442071 /nfs/dbraw/zinc/44/20/71/563442071.db2.gz RNVCOPRBUHMLTO-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N/c2cccc(Cl)c2Cl)ccc2ccccc12 ZINC000032101688 563442118 /nfs/dbraw/zinc/44/21/18/563442118.db2.gz FHHPCHFHZLIZRU-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N/c2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000032101691 563442019 /nfs/dbraw/zinc/44/20/19/563442019.db2.gz YNCALXBQJVGDSJ-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccccc1C(F)(F)F ZINC000032194178 563441963 /nfs/dbraw/zinc/44/19/63/563441963.db2.gz IUOYAYDGUCYQIT-ACCUITESSA-N 0 0 319.326 5.212 40 30 DKEBRN CCCOc1ccc(/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000032194191 563442165 /nfs/dbraw/zinc/44/21/65/563442165.db2.gz VOVPSKYTIAUJBN-STZFKDTASA-N 0 0 305.377 5.085 40 30 DKEBRN CCCOc1ccc(/N=C\c2ccc3ccccc3c2O)cc1 ZINC000032194204 563441712 /nfs/dbraw/zinc/44/17/12/563441712.db2.gz HPIIIPGPCTXKJU-STZFKDTASA-N 0 0 305.377 5.085 40 30 DKEBRN Oc1c(/C=N\c2ccccc2C(F)(F)F)ccc2ccccc12 ZINC000032194210 563441841 /nfs/dbraw/zinc/44/18/41/563441841.db2.gz ZPOASSKMMBHAJV-JJFYIABZSA-N 0 0 315.294 5.315 40 30 DKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000033411573 563873564 /nfs/dbraw/zinc/87/35/64/563873564.db2.gz SFFDBSQLEYPYAQ-JMIUGGIZSA-N 0 0 312.722 5.195 40 30 DKEBRN FC(F)(F)c1ccc(Cl)c(NN=C2CCc3ccccc32)c1 ZINC000033492378 563725180 /nfs/dbraw/zinc/72/51/80/563725180.db2.gz KORJLVFNWXETNO-STZFKDTASA-N 0 0 324.733 5.121 40 30 DKEBRN O=C(/C=C/c1cccc(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000033717265 527626344 /nfs/dbraw/zinc/62/63/44/527626344.db2.gz HZRUTBMHYZCVBS-NTEUORMPSA-N 0 0 302.348 5.389 40 30 DKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(Cl)c1 ZINC000033778400 563924449 /nfs/dbraw/zinc/92/44/49/563924449.db2.gz WXSNEOZATMGTRX-CIAFOILYSA-N 0 0 316.807 5.138 40 30 DKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(C(C)(C)C)cc1 ZINC000033788249 518456023 /nfs/dbraw/zinc/45/60/23/518456023.db2.gz OBCUQRSXWZBIIH-BKUYFWCQSA-N 0 0 323.465 5.430 40 30 DKEBRN C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000033937517 563446229 /nfs/dbraw/zinc/44/62/29/563446229.db2.gz XCSZPKBSRHYGDR-SFZKDJMASA-N 0 0 306.490 5.336 40 30 DKEBRN CCCCCCCCCCCC(=O)c1nc2ncccc2o1 ZINC000034803705 519986243 /nfs/dbraw/zinc/98/62/43/519986243.db2.gz XUWBDQAPIZBSRY-UHFFFAOYSA-N 0 0 302.418 5.326 40 30 in-vivo DKEBRN CC(=NNc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1 ZINC000034864713 518451851 /nfs/dbraw/zinc/45/18/51/518451851.db2.gz WOLSHZSDTXSCOK-XLNRJJMWSA-N 0 0 300.405 5.498 40 30 DKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(C)c(C)c1 ZINC000034869038 518452795 /nfs/dbraw/zinc/45/27/95/518452795.db2.gz ZBWUNOGXFMSPPQ-HMAPJEAMSA-N 0 0 323.827 5.341 40 30 DKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000035170200 563325670 /nfs/dbraw/zinc/32/56/70/563325670.db2.gz CTQZBPLEDWTZRX-KGENOOAVSA-N 0 0 321.449 5.209 40 30 DKEBRN C=CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000036080593 256533246 /nfs/dbraw/zinc/53/32/46/256533246.db2.gz YHOPSZMJOLWYKO-DXIQSLLYSA-N 0 0 317.432 5.386 40 30 DKEBRN C=CCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1 ZINC000038296677 257129817 /nfs/dbraw/zinc/12/98/17/257129817.db2.gz XIWBEXJOIRMPEK-UHFFFAOYSA-N 0 0 324.486 5.007 40 30 DKEBRN CCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000038652106 183005437 /nfs/dbraw/zinc/00/54/37/183005437.db2.gz CRCASZFDSWMENA-UHFFFAOYSA-N 0 0 303.449 6.299 40 30 DKEBRN CCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)OC ZINC000039192091 183014755 /nfs/dbraw/zinc/01/47/55/183014755.db2.gz JTSVQVYMBXVLFI-UKBCLVJRSA-N 0 0 310.478 5.184 40 30 DKEBRN CCCC1=C(c2ccccc2)C(c2ccccc2)=C(CCC)C1=O ZINC000039379149 257217523 /nfs/dbraw/zinc/21/75/23/257217523.db2.gz MGUOUVMLNBFFIS-UHFFFAOYSA-N 0 0 316.444 6.077 40 30 DKEBRN CC(C)(C)c1cc(C=NNc2ccccc2)cc(C(C)(C)C)c1O ZINC000039724834 257217474 /nfs/dbraw/zinc/21/74/74/257217474.db2.gz VFKQKJNSBAUCPK-HMAPJEAMSA-N 0 0 324.468 5.433 40 30 DKEBRN O=C(/C=C/c1c2ccccc2cc2ccccc21)c1ccccc1 ZINC000040144966 563432996 /nfs/dbraw/zinc/43/29/96/563432996.db2.gz HTNKWVPCJOMMPQ-CCEZHUSRSA-N 0 0 308.380 5.889 40 30 DKEBRN CC1(C)[C@H]2C[C@@H]1C(C)(C)C(=O)/C2=C/c1ccc(Cl)cc1Cl ZINC000040292732 183052055 /nfs/dbraw/zinc/05/20/55/183052055.db2.gz OUQWAKQRJZOSSG-BMMQRGARSA-N 0 0 323.263 5.648 40 30 DKEBRN CC1(C)[C@H]2C[C@@H]1/C(=C\c1ccc(Cl)cc1Cl)C(=O)C2(C)C ZINC000040292735 183052018 /nfs/dbraw/zinc/05/20/18/183052018.db2.gz OUQWAKQRJZOSSG-OQPWTOSVSA-N 0 0 323.263 5.648 40 30 DKEBRN N#Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl ZINC000041127212 183169128 /nfs/dbraw/zinc/16/91/28/183169128.db2.gz UXXCURITBRYAHM-UHFFFAOYSA-N 0 0 323.566 5.327 40 30 DKEBRN Cc1cc(NN=Cc2ccc(C(C)C)cc2)c2ccccc2n1 ZINC000041127775 183169632 /nfs/dbraw/zinc/16/96/32/183169632.db2.gz ZRAHKXKLWRLTKT-FYJGNVAPSA-N 0 0 303.409 5.113 40 30 DKEBRN Cc1cc(NN=Cc2ccc(C(C)(C)C)cc2)c2ccccc2n1 ZINC000041127777 183169767 /nfs/dbraw/zinc/16/97/67/183169767.db2.gz KVHJWZXYFHJFOE-HYARGMPZSA-N 0 0 317.436 5.287 40 30 DKEBRN CCCCCCCCCCCCCCCc1cccc(O)c1O ZINC000042764455 183305880 /nfs/dbraw/zinc/30/58/80/183305880.db2.gz DQTMTQZSOJMZSF-UHFFFAOYSA-N 0 0 320.517 6.732 40 30 biogenic,in-vitro DKEBRN C=CCNC(=O)CCCCCCC/C=C\CCCCCCCC ZINC000043323435 183355123 /nfs/dbraw/zinc/35/51/23/183355123.db2.gz UAHKJTAJNWDPOC-QXMHVHEDSA-N 0 0 321.549 6.326 40 30 DKEBRN CCCCCCCCCCCCCCCc1ccc(O)c(O)c1 ZINC000043422589 183361422 /nfs/dbraw/zinc/36/14/22/183361422.db2.gz LAMCNRYCAMXXHH-UHFFFAOYSA-N 0 0 320.517 6.732 40 30 DKEBRN CCCCCCCCCCCCCc1nc2ccccc2[nH]1 ZINC000043439825 563420938 /nfs/dbraw/zinc/42/09/38/563420938.db2.gz OZRZZNNKEBHRGQ-UHFFFAOYSA-N 0 0 300.490 6.416 40 30 DKEBRN CCCCCCCCCCCCCCCC(=O)NC(C)(C)C ZINC000043706319 563877377 /nfs/dbraw/zinc/87/73/77/563877377.db2.gz PWSZYBZCNJXAJV-UHFFFAOYSA-N 0 0 311.554 6.382 40 30 DKEBRN CCCCCCCCCCCCCCCC(=O)N(CC)CC ZINC000043706328 563877195 /nfs/dbraw/zinc/87/71/95/563877195.db2.gz MEBZVMXZXFKHJS-UHFFFAOYSA-N 0 0 311.554 6.336 40 30 DKEBRN CCC1CCC(c2ccc(C#Cc3ccc(OC)cc3)cc2)CC1 ZINC000044137060 568417468 /nfs/dbraw/zinc/41/74/68/568417468.db2.gz PHUXECYUQSJAIT-UHFFFAOYSA-N 0 0 318.460 5.779 40 30 DKEBRN CCCCCCCCCCCCn1c2ccccc2nc1CO ZINC000050704855 257261312 /nfs/dbraw/zinc/26/13/12/257261312.db2.gz HNPUFFFLUAPQKB-UHFFFAOYSA-N 0 0 316.489 5.450 40 30 DKEBRN CCCCCCCCCCn1c(COC)nc2ccccc21 ZINC000050704859 563468118 /nfs/dbraw/zinc/46/81/18/563468118.db2.gz FWBNPWBGZMDDMB-UHFFFAOYSA-N 0 0 302.462 5.323 40 30 DKEBRN c1sc(N=NC2CCCCC2)nc1-c1ccc2ccccc2c1 ZINC000054362879 183936864 /nfs/dbraw/zinc/93/68/64/183936864.db2.gz CNTJKQXYZWFKRR-UHFFFAOYSA-N 0 0 321.449 5.695 40 30 DKEBRN CCC(C)N=Nc1nc2c(s1)c(C(F)(F)F)ccc2Cl ZINC000057327649 184033487 /nfs/dbraw/zinc/03/34/87/184033487.db2.gz DHAAYZNGTMFWEI-FXBPXSCXSA-N 0 0 321.755 5.166 40 30 DKEBRN CCCCc1ccc2nc(N=C(SC)SC)sc2c1 ZINC000057352482 184034976 /nfs/dbraw/zinc/03/49/76/184034976.db2.gz WIZYDECGAIEYKE-UHFFFAOYSA-N 0 0 310.513 5.352 40 30 DKEBRN CSC(=Nc1nc2c(ccc(Cl)c2Cl)s1)SC ZINC000057352484 184034820 /nfs/dbraw/zinc/03/48/20/184034820.db2.gz BPJRGTUMQLLXHU-UHFFFAOYSA-N 0 0 323.295 5.317 40 30 DKEBRN CCCCCCCCCCCCCCCC(=O)N1CCCC1 ZINC000058581281 519989058 /nfs/dbraw/zinc/98/90/58/519989058.db2.gz ULDNZNZTSYZQKK-UHFFFAOYSA-N 0 0 309.538 6.090 40 30 endogenous,in-man DKEBRN CCCCCCCCCCCCCCCC(=O)N1CCCCC1 ZINC000058582420 519988880 /nfs/dbraw/zinc/98/88/80/519988880.db2.gz SBWUACYNOBUPAH-UHFFFAOYSA-N 0 0 323.565 6.480 40 30 DKEBRN C=CCOc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058928486 563770756 /nfs/dbraw/zinc/77/07/56/563770756.db2.gz ZSHIBKUFYMQBCZ-CUWPLCDZSA-N 0 0 303.405 5.078 40 30 DKEBRN Clc1ccc(-c2csc(N=NC3CCCCCC3)n2)cc1 ZINC000059043687 563770806 /nfs/dbraw/zinc/77/08/06/563770806.db2.gz VKHBISVTMMOAPX-UHFFFAOYSA-N 0 0 319.861 5.586 40 30 DKEBRN CC(C)(C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 ZINC000059104277 257217283 /nfs/dbraw/zinc/21/72/83/257217283.db2.gz IPHKITRCCUHVSS-CJLVFECKSA-N 0 0 306.453 5.335 40 30 DKEBRN Clc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1Cl ZINC000059104691 257217128 /nfs/dbraw/zinc/21/71/28/257217128.db2.gz NVXHNMKAHGBDHE-UDWIEESQSA-N 0 0 319.235 5.344 40 30 DKEBRN C=C(CCc1ccccc1C)Cc1ccccc1C1CCCCC1 ZINC000059109308 563820097 /nfs/dbraw/zinc/82/00/97/563820097.db2.gz XULBQWCSAHDELB-UHFFFAOYSA-N 0 0 318.504 6.774 40 30 DKEBRN C(=N/c1ccc(C2CCCCC2)cc1)\c1ccc(N2CCCC2)o1 ZINC000059138140 257217145 /nfs/dbraw/zinc/21/71/45/257217145.db2.gz LVEDKLZKDFEDHR-CJLVFECKSA-N 0 0 322.452 5.678 40 30 DKEBRN C(=N/c1ccc(-c2ccccc2)cc1)\c1ccc(N2CCCC2)o1 ZINC000059138634 257217285 /nfs/dbraw/zinc/21/72/85/257217285.db2.gz NSKGMUAYLJJTPT-CJLVFECKSA-N 0 0 316.404 5.297 40 30 DKEBRN CC(=O)c1ccc(N=Cc2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059248096 257217259 /nfs/dbraw/zinc/21/72/59/257217259.db2.gz XOHCEHTYLXFEQA-FYJGNVAPSA-N 0 0 322.795 5.084 40 30 DKEBRN Cc1c(/C=N/c2ccc(Cl)c(Cl)c2)c2ccccc2n1C ZINC000059248161 257217347 /nfs/dbraw/zinc/21/73/47/257217347.db2.gz MYISJKLWKCSJGR-KEBDBYFISA-N 0 0 317.219 5.544 40 30 DKEBRN C=CCc1cc(/C=N/c2ccc(C(C)C)cc2)cc(OCC)c1O ZINC000059249253 563770924 /nfs/dbraw/zinc/77/09/24/563770924.db2.gz SPUKDCBLMPJQGL-HYARGMPZSA-N 0 0 323.436 5.393 40 30 DKEBRN CC(=O)c1cccc(N=Cc2cccn2-c2ccc(Cl)cc2)c1 ZINC000059249436 563770852 /nfs/dbraw/zinc/77/08/52/563770852.db2.gz BIRGXXAZFZKLJD-FYJGNVAPSA-N 0 0 322.795 5.084 40 30 DKEBRN CCc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059249437 563770890 /nfs/dbraw/zinc/77/08/90/563770890.db2.gz NIRGBHJDTYMFRB-KGENOOAVSA-N 0 0 308.812 5.444 40 30 DKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1C ZINC000059249705 256539434 /nfs/dbraw/zinc/53/94/34/256539434.db2.gz HZPKIJZHSQMUFF-FYJGNVAPSA-N 0 0 308.812 5.498 40 30 DKEBRN C=CCc1cc(/C=N/c2ccccc2C(C)C)cc(OCC)c1O ZINC000059249804 563771028 /nfs/dbraw/zinc/77/10/28/563771028.db2.gz DRMCWYLDXJOZIJ-HYARGMPZSA-N 0 0 323.436 5.393 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000059250240 563770712 /nfs/dbraw/zinc/77/07/12/563770712.db2.gz RRDNCEFWPMCZGD-FIOICXDGSA-N 0 0 302.421 5.741 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000059250242 256539723 /nfs/dbraw/zinc/53/97/23/256539723.db2.gz RRDNCEFWPMCZGD-JMMZKRSASA-N 0 0 302.421 5.741 40 30 DKEBRN Cc1cc(/N=C/c2cccn2-c2ccc(Cl)cc2)ccc1F ZINC000059302391 563771611 /nfs/dbraw/zinc/77/16/11/563771611.db2.gz VSSRDJHBZUPSPC-CIAFOILYSA-N 0 0 312.775 5.329 40 30 DKEBRN Cc1c(/C=N/c2ccc(Cl)cc2Cl)c2ccccc2n1C ZINC000059302528 563771746 /nfs/dbraw/zinc/77/17/46/563771746.db2.gz PJGPISOYMYEDSF-KEBDBYFISA-N 0 0 317.219 5.544 40 30 DKEBRN Clc1ccc(-n2cccc2/C=N/c2cccc(Cl)c2)cc1 ZINC000059303131 563771658 /nfs/dbraw/zinc/77/16/58/563771658.db2.gz PFYIMRXLIINEQI-UDWIEESQSA-N 0 0 315.203 5.535 40 30 DKEBRN CCCCCCCCCc1c(Cl)nc(Cl)nc1Cl ZINC000059364461 184137439 /nfs/dbraw/zinc/13/74/39/184137439.db2.gz KVTJZGNCSHIZHR-UHFFFAOYSA-N 0 0 309.668 5.730 40 30 DKEBRN Cc1cc(/C=N/c2cccc(O)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426879 563771660 /nfs/dbraw/zinc/77/16/60/563771660.db2.gz XGJMAUQSJFRQJT-LPYMAVHISA-N 0 0 318.420 5.167 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426962 184138687 /nfs/dbraw/zinc/13/86/87/184138687.db2.gz FIRMDWLEAHOMCT-HYARGMPZSA-N 0 0 317.436 5.157 40 30 DKEBRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000059459990 184139137 /nfs/dbraw/zinc/13/91/37/184139137.db2.gz CONUYVVNFFHZFN-SRZZPIQSSA-N 0 0 319.433 5.039 40 30 DKEBRN Clc1ccc(N=C=C(c2ccccc2)c2ccccc2)cc1 ZINC000059500729 563772301 /nfs/dbraw/zinc/77/23/01/563772301.db2.gz DEXRQMJDQSHRJB-UHFFFAOYSA-N 0 0 303.792 5.773 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000059503584 563772355 /nfs/dbraw/zinc/77/23/55/563772355.db2.gz PTPHMSRVAIYRBH-OEAKJJBVSA-N 0 0 312.416 5.266 40 30 DKEBRN Cc1cccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)c1 ZINC000059503585 563772462 /nfs/dbraw/zinc/77/24/62/563772462.db2.gz JWISOTSIYZUVIC-OEAKJJBVSA-N 0 0 312.416 5.266 40 30 DKEBRN Cc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000059503586 256540175 /nfs/dbraw/zinc/54/01/75/256540175.db2.gz KAXFOQSPXIMWLO-OEAKJJBVSA-N 0 0 312.416 5.266 40 30 DKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Br)cc1 ZINC000059514170 563772566 /nfs/dbraw/zinc/77/25/66/563772566.db2.gz WBEPWVWODGCPGU-RQZCQDPDSA-N 0 0 308.606 5.162 40 30 DKEBRN O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000059566310 563771603 /nfs/dbraw/zinc/77/16/03/563771603.db2.gz GATPHFVWEHEZOC-JXMROGBWSA-N 0 0 310.702 5.255 40 30 DKEBRN CCCCCCCCNC(=S)Nc1c(C)cccc1CC ZINC000059662038 184139926 /nfs/dbraw/zinc/13/99/26/184139926.db2.gz PWUITCPXCXIJET-UHFFFAOYSA-N 0 0 306.519 5.204 40 30 DKEBRN CCCCCCCc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000059662042 563479446 /nfs/dbraw/zinc/47/94/46/563479446.db2.gz XBMHJLMSNHDYNB-UHFFFAOYSA-N 0 0 309.453 5.760 40 30 DKEBRN CCCCCCCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000059662050 563479347 /nfs/dbraw/zinc/47/93/47/563479347.db2.gz FLVXYSYGZCDQKB-UHFFFAOYSA-N 0 0 313.416 5.591 40 30 DKEBRN CCCCCCCc1ccc(NC(=O)C2CCCCC2)cc1 ZINC000059662060 184139987 /nfs/dbraw/zinc/13/99/87/184139987.db2.gz QIYZNOYMBGKUHX-UHFFFAOYSA-N 0 0 301.474 5.718 40 30 DKEBRN CCCCCCCCOc1ccc(OCc2ccncc2)cc1 ZINC000059663751 184139945 /nfs/dbraw/zinc/13/99/45/184139945.db2.gz GQYWKNRDXORPRT-UHFFFAOYSA-N 0 0 313.441 5.400 40 30 DKEBRN Cc1c(/C=N/c2cccc(Cl)c2Cl)c2ccccc2n1C ZINC000059678672 563772210 /nfs/dbraw/zinc/77/22/10/563772210.db2.gz CIJFDHZCULVMRZ-KEBDBYFISA-N 0 0 317.219 5.544 40 30 DKEBRN CCN(CC)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000059679285 563772525 /nfs/dbraw/zinc/77/25/25/563772525.db2.gz OTUXQCDQPIMWQE-OQKWZONESA-N 0 0 317.436 5.074 40 30 DKEBRN Cc1c(/C=N/c2ccc(C(C)(C)C)cc2)c2ccccc2n1C ZINC000059679309 563772386 /nfs/dbraw/zinc/77/23/86/563772386.db2.gz RZXBJYCQIPFQAL-HYARGMPZSA-N 0 0 304.437 5.535 40 30 DKEBRN CC(C)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059679332 256540696 /nfs/dbraw/zinc/54/06/96/256540696.db2.gz UPERXRLWTBGNFC-HYARGMPZSA-N 0 0 322.839 6.005 40 30 DKEBRN CCCCCCCCCCCCCCC[C@@H]1CCCC(=O)O1 ZINC000059721730 563479571 /nfs/dbraw/zinc/47/95/71/563479571.db2.gz LLPDOHGLBDHCJZ-LJQANCHMSA-N 0 0 310.522 6.563 40 30 in-vitro DKEBRN CCCCCCCC/C=C/CCCCCCCCOC(C)=O ZINC000059725378 184140103 /nfs/dbraw/zinc/14/01/03/184140103.db2.gz GYGAZRPDUOHMAF-ZHACJKMWSA-N 0 0 310.522 6.587 40 30 endogenous,in-man DKEBRN CCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000059796856 184140957 /nfs/dbraw/zinc/14/09/57/184140957.db2.gz REDSMJNHKIHBTE-UHFFFAOYSA-N 0 0 305.465 6.518 40 30 DKEBRN CCCCCCCCCCCCCCCCCC(=O)N(C)C ZINC000060118180 184144730 /nfs/dbraw/zinc/14/47/30/184144730.db2.gz BTSRIWFABHLYDQ-UHFFFAOYSA-N 0 0 311.554 6.336 40 30 DKEBRN CCCCCCCCCCCCCCCCc1ccccc1O ZINC000060119456 256540941 /nfs/dbraw/zinc/54/09/41/256540941.db2.gz HMWIHOZPGQRZLR-UHFFFAOYSA-N 0 0 318.545 7.416 40 30 DKEBRN CCCCCCCCCCCCCCCc1cc(O)ccc1N ZINC000060296350 563479485 /nfs/dbraw/zinc/47/94/85/563479485.db2.gz JEAQATRYHARRAU-UHFFFAOYSA-N 0 0 319.533 6.608 40 30 DKEBRN COc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 ZINC000062167821 563772310 /nfs/dbraw/zinc/77/23/10/563772310.db2.gz KMRDKVIOOAAYNQ-OUKQBFOZSA-N 0 0 302.373 5.053 40 30 DKEBRN CCCOc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1OCC ZINC000062167866 563772496 /nfs/dbraw/zinc/77/24/96/563772496.db2.gz BVYWQZFXNAKXNP-XYOKQWHBSA-N 0 0 324.420 5.079 40 30 DKEBRN CCCC[C@@]1(c2ccccc2)C=CC(c2ccc(C#N)cc2)=CC1 ZINC000066351958 563927871 /nfs/dbraw/zinc/92/78/71/563927871.db2.gz OSIAAHAWJNJMMV-HSZRJFAPSA-N 0 0 313.444 6.030 40 30 DKEBRN CCCC[C@]1(c2ccccc2)C=CC(c2ccc(C#N)cc2)=CC1 ZINC000066351959 563927919 /nfs/dbraw/zinc/92/79/19/563927919.db2.gz OSIAAHAWJNJMMV-QHCPKHFHSA-N 0 0 313.444 6.030 40 30 DKEBRN CCCCCC/C=C\CCCCCCCc1cccc(O)c1O ZINC000067911343 563950548 /nfs/dbraw/zinc/95/05/48/563950548.db2.gz GWOCLAPCXDOJRL-FPLPWBNLSA-N 0 0 318.501 6.508 40 30 biogenic,in-vitro DKEBRN CCCCCC/C=C\CCCC/C=C\Cc1cc(O)cc(O)c1 ZINC000067912361 563950518 /nfs/dbraw/zinc/95/05/18/563950518.db2.gz RBMKZBCHFBGXFK-WRKWTSPFSA-N 0 0 316.485 6.284 40 30 biogenic,in-vitro DKEBRN CCCCCCCc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000068568947 520070028 /nfs/dbraw/zinc/07/00/28/520070028.db2.gz KNGBAAPEMXMDTF-UHFFFAOYSA-N 0 0 323.480 6.014 40 30 DKEBRN CCCCCCCCc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000068568950 563494754 /nfs/dbraw/zinc/49/47/54/563494754.db2.gz PTFXSDWKGJTPPY-UHFFFAOYSA-N 0 0 323.480 6.150 40 30 DKEBRN CCCCCCCCc1ccc(NN=C2C=CC(=O)C=C2)cc1 ZINC000068568996 563495027 /nfs/dbraw/zinc/49/50/27/563495027.db2.gz KWYKRCFXFADWBK-QURGRASLSA-N 0 0 310.441 6.711 40 30 DKEBRN CCCCCCCCCC[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000068569277 190775448 /nfs/dbraw/zinc/77/54/48/190775448.db2.gz NUNJEXVHPNIJKE-GOSISDBHSA-N 0 0 321.892 6.364 40 30 DKEBRN CCCCCCCCCC[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000068569279 563494599 /nfs/dbraw/zinc/49/45/99/563494599.db2.gz NUNJEXVHPNIJKE-SFHVURJKSA-N 0 0 321.892 6.364 40 30 DKEBRN O=C1C(=C2SCCCS2)CC/C1=C\C=C\c1ccccc1 ZINC000068590809 184492936 /nfs/dbraw/zinc/49/29/36/184492936.db2.gz KWBQJNTZNQPXIW-XRCNLDATSA-N 0 0 314.475 5.071 40 30 DKEBRN N#Cc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000070137918 190862539 /nfs/dbraw/zinc/86/25/39/190862539.db2.gz OMEOXMDKOOOHPV-UHFFFAOYSA-N 0 0 312.583 5.097 40 30 DKEBRN CCCCCCCCC1=C(CCCCCCCC(=O)OC)C1 ZINC000070455441 190895781 /nfs/dbraw/zinc/89/57/81/190895781.db2.gz CMRNMZJAUFXOQF-UHFFFAOYSA-N 0 0 308.506 6.341 40 30 biogenic,in-vitro DKEBRN C#CC[C@]1(Cc2ccccc2)[C@]2(C)[C@H]3CC[C@@H]3[C@]12c1ccccc1 ZINC000071785941 257217341 /nfs/dbraw/zinc/21/73/41/257217341.db2.gz WFHGBYATWQTJSQ-LSBAASHUSA-N 0 0 312.456 5.237 40 30 DKEBRN CCc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000071976897 184917243 /nfs/dbraw/zinc/91/72/43/184917243.db2.gz INWNVVCFBROONY-CSKARUKUSA-N 0 0 305.204 5.452 40 30 DKEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1Cl ZINC000071976930 184916947 /nfs/dbraw/zinc/91/69/47/184916947.db2.gz LPRVXBPWNBDGQR-JXMROGBWSA-N 0 0 321.203 5.288 40 30 DKEBRN CCOc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000071976947 184917031 /nfs/dbraw/zinc/91/70/31/184917031.db2.gz SWEWDWSNCCNFFQ-BJMVGYQFSA-N 0 0 321.203 5.288 40 30 DKEBRN CCOc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1Cl ZINC000071976976 184917040 /nfs/dbraw/zinc/91/70/40/184917040.db2.gz ZGWXGNITEHTNEW-JXMROGBWSA-N 0 0 321.203 5.288 40 30 DKEBRN CCOc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000071977030 563501476 /nfs/dbraw/zinc/50/14/76/563501476.db2.gz AFBXLYBOKJADLH-OVCLIPMQSA-N 0 0 308.421 5.279 40 30 DKEBRN O=C(/C=C/c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000071977071 563501248 /nfs/dbraw/zinc/50/12/48/563501248.db2.gz CLZINPYYQFUCKS-QPJJXVBHSA-N 0 0 311.595 5.543 40 30 DKEBRN CC(C)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000071977084 563501360 /nfs/dbraw/zinc/50/13/60/563501360.db2.gz WNNAYVSONXCJDE-BJMVGYQFSA-N 0 0 319.231 6.013 40 30 DKEBRN CCc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000071977091 563501496 /nfs/dbraw/zinc/50/14/96/563501496.db2.gz AMOBYGSDKUFGEV-JXMROGBWSA-N 0 0 305.204 5.452 40 30 DKEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(Cl)c(Cl)c1 ZINC000071977094 521448573 /nfs/dbraw/zinc/44/85/73/521448573.db2.gz FBSDAJJQTISDDZ-CSKARUKUSA-N 0 0 321.203 5.288 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)o1 ZINC000071977224 563501380 /nfs/dbraw/zinc/50/13/80/563501380.db2.gz DZXYMCZHBXCDGN-JLHYYAGUSA-N 0 0 318.372 5.063 40 30 DKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CO1 ZINC000072131369 519989903 /nfs/dbraw/zinc/98/99/03/519989903.db2.gz KYVUJPJYTYQNGJ-SFHVURJKSA-N 0 0 312.494 5.410 40 30 in-vitro DKEBRN CCCCCCCCCCCCCCCC(=O)OC[C@H]1CO1 ZINC000072131370 519991143 /nfs/dbraw/zinc/99/11/43/519991143.db2.gz KYVUJPJYTYQNGJ-GOSISDBHSA-N 0 0 312.494 5.410 40 30 in-vitro DKEBRN CCCCCCCCCCCCCCOc1ccc(C(C)=O)o1 ZINC000072283744 520005293 /nfs/dbraw/zinc/00/52/93/520005293.db2.gz MMOTUYBUAZJWRU-UHFFFAOYSA-N 0 0 322.489 6.562 40 30 DKEBRN CCCCCCCCCCCCCCCCCC[C@H](O)CO ZINC000072399780 191150888 /nfs/dbraw/zinc/15/08/88/191150888.db2.gz KUWCMTFKTVOJID-FQEVSTJZSA-N 0 0 314.554 5.991 40 30 in-vitro DKEBRN CCCCCCCCCCCCCCCCCC[C@@H](O)CO ZINC000072399781 191151279 /nfs/dbraw/zinc/15/12/79/191151279.db2.gz KUWCMTFKTVOJID-HXUWFJFHSA-N 0 0 314.554 5.991 40 30 in-vitro DKEBRN CCCCCCCCCCCC(=O)NCCc1cccc(F)c1 ZINC000072399846 256545112 /nfs/dbraw/zinc/54/51/12/256545112.db2.gz NHWLFIDZHVSOSZ-UHFFFAOYSA-N 0 0 321.480 5.405 40 30 in-vitro DKEBRN C(=N\N=C1c2ccccc2-c2ccccc21)\c1c[nH]c2ccccc12 ZINC000073062381 191274135 /nfs/dbraw/zinc/27/41/35/191274135.db2.gz YKJRZTJCVQULNJ-OYKKKHCWSA-N 0 0 321.383 5.020 40 30 DKEBRN CCCCCCCCCCCCN(O)C(=O)c1ccccc1 ZINC000073351308 520008333 /nfs/dbraw/zinc/00/83/33/520008333.db2.gz KQDMTFAQBVMWDP-UHFFFAOYSA-N 0 0 305.462 5.439 40 30 DKEBRN CCCCCCCCCCCCCCCCCc1nnc(N)o1 ZINC000073369769 519999110 /nfs/dbraw/zinc/99/91/10/519999110.db2.gz BYSGGXHBCBERTD-UHFFFAOYSA-N 0 0 323.525 6.066 40 30 DKEBRN CCCCCCCCCCCCCCCC1N=NC(=S)N1 ZINC000073407315 520005334 /nfs/dbraw/zinc/00/53/34/520005334.db2.gz ACQQIHOEBHDCOE-UHFFFAOYSA-N 0 0 311.539 5.727 40 30 DKEBRN C=C(c1ccc(OC)cc1)[C@H](CC)[C@@H](CC)c1ccc(OC)cc1 ZINC000077292265 563816587 /nfs/dbraw/zinc/81/65/87/563816587.db2.gz DSVIJUQMZBIDOE-VXKWHMMOSA-N 0 0 324.464 5.937 40 30 in-vitro DKEBRN C=C(c1ccc(OC)cc1)[C@H](CC)[C@H](CC)c1ccc(OC)cc1 ZINC000077292266 563816793 /nfs/dbraw/zinc/81/67/93/563816793.db2.gz DSVIJUQMZBIDOE-FCHUYYIVSA-N 0 0 324.464 5.937 40 30 in-vitro DKEBRN C=C(c1ccc(OC)cc1)[C@@H](CC)[C@@H](CC)c1ccc(OC)cc1 ZINC000077292269 191688376 /nfs/dbraw/zinc/68/83/76/191688376.db2.gz DSVIJUQMZBIDOE-YADHBBJMSA-N 0 0 324.464 5.937 40 30 in-vitro DKEBRN C=C(c1ccc(OC)cc1)[C@@H](CC)[C@H](CC)c1ccc(OC)cc1 ZINC000077292271 191687989 /nfs/dbraw/zinc/68/79/89/191687989.db2.gz DSVIJUQMZBIDOE-FGZHOGPDSA-N 0 0 324.464 5.937 40 30 in-vitro DKEBRN CCCCCC/C=C/C[C@@H](O)CCCCCCCCCCC ZINC000077293243 563816883 /nfs/dbraw/zinc/81/68/83/563816883.db2.gz MVLLDSWHNLOGFG-RLHAVTDZSA-N 0 0 310.566 7.185 40 30 in-vitro DKEBRN C=CCCCCCCCCCCCCCCCCCCCCC ZINC000078170190 563884401 /nfs/dbraw/zinc/88/44/01/563884401.db2.gz SJDSOBWGZRPKSB-UHFFFAOYSA-N 0 0 322.621 8.994 40 30 DKEBRN CCCCCCCCCCCCSc1cc(O)ccc1O ZINC000079364411 185167139 /nfs/dbraw/zinc/16/71/39/185167139.db2.gz GHJMGDSICDCGOI-UHFFFAOYSA-N 0 0 310.503 6.111 40 30 DKEBRN CCCCCCCCCCCC(=O)OCCCCCC(C)C ZINC000080316256 192024052 /nfs/dbraw/zinc/02/40/52/192024052.db2.gz UNOGLHIYPXTOGD-UHFFFAOYSA-N 0 0 312.538 6.667 40 30 DKEBRN CCCCCCCCc1ccc(O)c(-n2nc3ccccc3n2)c1 ZINC000081971563 520050237 /nfs/dbraw/zinc/05/02/37/520050237.db2.gz MPFAYMDFVULHEW-UHFFFAOYSA-N 0 0 323.440 5.029 40 30 DKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)C(C)(C)C ZINC000083259366 331695751 /nfs/dbraw/zinc/69/57/51/331695751.db2.gz RTAZXMYXAVPLIU-ZDLGFXPLSA-N 0 0 307.850 5.297 40 30 DKEBRN CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccccc2)O1 ZINC000084459701 563465071 /nfs/dbraw/zinc/46/50/71/563465071.db2.gz SBPHHBVLLPUILD-ZRWDRPBKSA-N 0 0 305.377 5.097 40 30 DKEBRN CCCCCC/C=C/CCCCCCCc1cccc(O)c1 ZINC000085489792 519944926 /nfs/dbraw/zinc/94/49/26/519944926.db2.gz YLKVIMNNMLKUGJ-BQYQJAHWSA-N 0 0 302.502 6.802 40 30 endogenous,in-man DKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCC ZINC000085533040 563521454 /nfs/dbraw/zinc/52/14/54/563521454.db2.gz BVWMJLIIGRDFEI-QXMHVHEDSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCC ZINC000085533042 519968207 /nfs/dbraw/zinc/96/82/07/519968207.db2.gz BVWMJLIIGRDFEI-VAWYXSNFSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OC ZINC000085702740 563663282 /nfs/dbraw/zinc/66/32/82/563663282.db2.gz CAMHHLOGFDZBBG-QZTJIDSGSA-N 0 0 312.494 5.408 40 30 DKEBRN CCCCC/C=C\CCCC(=O)CCCCCCCCCC ZINC000085831087 563889434 /nfs/dbraw/zinc/88/94/34/563889434.db2.gz YLNMHCDVFVPONQ-QBFSEMIESA-N 0 0 308.550 7.393 40 30 DKEBRN CCCCCCCCCCCCCCC[C@H](O)CC(=O)OC ZINC000085885600 520006155 /nfs/dbraw/zinc/00/61/55/520006155.db2.gz XIGHAQIRKIFLFB-SFHVURJKSA-N 0 0 314.510 5.392 40 30 DKEBRN CCCCCCCCCCCCCCC[C@@H](O)CC(=O)OC ZINC000085885605 520005420 /nfs/dbraw/zinc/00/54/20/520005420.db2.gz XIGHAQIRKIFLFB-GOSISDBHSA-N 0 0 314.510 5.392 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)C ZINC000086020566 519969282 /nfs/dbraw/zinc/96/92/82/519969282.db2.gz PZQSQRCNMZGWFT-VAWYXSNFSA-N 0 0 324.549 6.976 40 30 DKEBRN C=COC(=O)CCCCCCC/C=C/CCCCCCCC ZINC000086020570 519293256 /nfs/dbraw/zinc/29/32/56/519293256.db2.gz LPUZTLKYAOOFDX-VAWYXSNFSA-N 0 0 308.506 6.711 40 30 DKEBRN C=CCOC(=O)CCCCCCCCCCCCCCCCC ZINC000086050949 563521889 /nfs/dbraw/zinc/52/18/89/563521889.db2.gz HPCIWDZYMSZAEZ-UHFFFAOYSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCCCCCCCCCCCCCC(C)C ZINC000086051400 519994921 /nfs/dbraw/zinc/99/49/21/519994921.db2.gz JQMPJOXNMWUULP-UHFFFAOYSA-N 0 0 310.610 8.684 40 30 endogenous,in-man DKEBRN N=N/C(=N\N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000087491348 185226413 /nfs/dbraw/zinc/22/64/13/185226413.db2.gz IUJAKVDAVKXDQV-NAYHBLNSSA-N 0 0 300.365 5.217 40 30 DKEBRN CCCCCCCCCCCCCCCCCC(=O)NCC ZINC000088246238 185243411 /nfs/dbraw/zinc/24/34/11/185243411.db2.gz VLYFHHYLZLDEIU-UHFFFAOYSA-N 0 0 311.554 6.384 40 30 DKEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(Cl)cc1Cl ZINC000090485243 185298586 /nfs/dbraw/zinc/29/85/86/185298586.db2.gz MDRHTGYGUIHEBS-UKWGHVSLSA-N 0 0 322.235 5.881 40 30 DKEBRN C=CC[C@H](O)[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CCCC[C@@H]3[C@H]1CC2 ZINC000095080431 563676482 /nfs/dbraw/zinc/67/64/82/563676482.db2.gz FTAJQPVAFOWCFP-LTGKAUERSA-N 0 0 300.486 5.112 40 30 DKEBRN C=CC[C@@H](O)[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CCCC[C@@H]3[C@H]1CC2 ZINC000095080432 563676473 /nfs/dbraw/zinc/67/64/73/563676473.db2.gz FTAJQPVAFOWCFP-WZGFBNHNSA-N 0 0 300.486 5.112 40 30 DKEBRN C=CC[C@H](O)[C@@]12C=CC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@@H]3[C@H]1CC2 ZINC000095080433 563676484 /nfs/dbraw/zinc/67/64/84/563676484.db2.gz FTAJQPVAFOWCFP-WMKCGOMXSA-N 0 0 300.486 5.112 40 30 DKEBRN C=CC[C@@H](O)[C@@]12C=CC[C@H]1[C@@H]1CC[C@@H]3CCCC[C@@H]3[C@H]1CC2 ZINC000095080434 563676517 /nfs/dbraw/zinc/67/65/17/563676517.db2.gz FTAJQPVAFOWCFP-UMKHLJCSSA-N 0 0 300.486 5.112 40 30 DKEBRN Cc1noc(/N=C/c2c3ccccc3cc3ccccc32)c1C ZINC000095101086 563528707 /nfs/dbraw/zinc/52/87/07/563528707.db2.gz NWBPVIHVTHKZRS-CIAFOILYSA-N 0 0 300.361 5.348 40 30 DKEBRN CCn1c2ccccc2c2cc(/C=N/c3onc(C)c3C)ccc21 ZINC000095101087 563529157 /nfs/dbraw/zinc/52/91/57/563529157.db2.gz WEPHTBXAUMLMBQ-CIAFOILYSA-N 0 0 317.392 5.170 40 30 DKEBRN C=CCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000095705006 563931807 /nfs/dbraw/zinc/93/18/07/563931807.db2.gz NXTLUQFOTQPMOD-UHFFFAOYSA-N 0 0 309.453 5.472 40 30 in-vitro DKEBRN C=C(C)C(C)(C)CC(=O)c1cn(CCCCC)c2ccccc12 ZINC000095705066 563931727 /nfs/dbraw/zinc/93/17/27/563931727.db2.gz NBJHWTCAQOYUND-UHFFFAOYSA-N 0 0 311.469 6.007 40 30 in-vitro DKEBRN FC(F)(F)c1cc(C(F)(F)F)c(Cl)c(C(F)(F)F)c1 ZINC000095707833 185383130 /nfs/dbraw/zinc/38/31/30/185383130.db2.gz OLWJWIMWBGMZJY-UHFFFAOYSA-N 0 0 316.550 5.396 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCC1=NC[C@H](C)O1 ZINC000095722233 563530505 /nfs/dbraw/zinc/53/05/05/563530505.db2.gz NAGNXDBJZOWMCT-CFGKVWFZSA-N 0 0 321.549 6.841 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCC1=NC[C@@H](C)O1 ZINC000095722235 563530620 /nfs/dbraw/zinc/53/06/20/563530620.db2.gz NAGNXDBJZOWMCT-CTDFXDFQSA-N 0 0 321.549 6.841 40 30 DKEBRN CCCCCCCCCCCCCCCCCCC(=O)NC ZINC000095731085 185383716 /nfs/dbraw/zinc/38/37/16/185383716.db2.gz JJOVCQBPDCSFDT-UHFFFAOYSA-N 0 0 311.554 6.384 40 30 DKEBRN CCCCCCCCCCCCN=Nc1ccc([N+](=O)[O-])cn1 ZINC000095762522 563530924 /nfs/dbraw/zinc/53/09/24/563530924.db2.gz PROSJHYTCIDTIH-XMHGGMMESA-N 0 0 320.437 5.308 40 30 DKEBRN CCCCCCCC/C=C\CCCCCCCC(O)=CC(C)=O ZINC000095787100 185384089 /nfs/dbraw/zinc/38/40/89/185384089.db2.gz NOFWUNDRGNPPMV-KHPPLWFESA-N 0 0 322.533 6.572 40 30 DKEBRN CCCOc1ccc(/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000096006187 563531381 /nfs/dbraw/zinc/53/13/81/563531381.db2.gz VOVPSKYTIAUJBN-KGENOOAVSA-N 0 0 305.377 5.085 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1ccccc1C(F)(F)F ZINC000096006188 563531278 /nfs/dbraw/zinc/53/12/78/563531278.db2.gz XQLWZDOEANVJBM-JJFYIABZSA-N 0 0 315.294 5.315 40 30 DKEBRN CCCOc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 ZINC000096006190 563531489 /nfs/dbraw/zinc/53/14/89/563531489.db2.gz HPIIIPGPCTXKJU-KGENOOAVSA-N 0 0 305.377 5.085 40 30 DKEBRN Oc1c(/C=N/c2ccccc2C(F)(F)F)ccc2ccccc12 ZINC000096006191 563531371 /nfs/dbraw/zinc/53/13/71/563531371.db2.gz ZPOASSKMMBHAJV-SSDVNMTOSA-N 0 0 315.294 5.315 40 30 DKEBRN C=CCOc1ccc(/C=C/c2cc(=S)c3ccccc3o2)cc1 ZINC000096306251 335071412 /nfs/dbraw/zinc/07/14/12/335071412.db2.gz WFKGQJWLSOQARZ-FMIVXFBMSA-N 0 0 320.413 5.897 40 30 DKEBRN N#Cc1c(Cl)nc2c(c1-c1ccc(Cl)c(Cl)c1)CCC2 ZINC000096511084 563486147 /nfs/dbraw/zinc/48/61/47/563486147.db2.gz HLVREKJGOGYWNR-UHFFFAOYSA-N 0 0 323.610 5.069 40 30 DKEBRN C[C@@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Cl)c2C1 ZINC000096511105 563485960 /nfs/dbraw/zinc/48/59/60/563485960.db2.gz HLQVRNLZABBTLD-SNVBAGLBSA-N 0 0 317.219 5.052 40 30 DKEBRN C[C@H]1CCc2nc(Cl)c(C#N)c(-c3ccccc3Cl)c2C1 ZINC000096511106 193674534 /nfs/dbraw/zinc/67/45/34/193674534.db2.gz HLQVRNLZABBTLD-JTQLQIEISA-N 0 0 317.219 5.052 40 30 DKEBRN C[C@@H]1CCc2nc(Cl)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000096511115 563486387 /nfs/dbraw/zinc/48/63/87/563486387.db2.gz QTNRUUFUXXGNOP-SNVBAGLBSA-N 0 0 317.219 5.052 40 30 DKEBRN C[C@H]1CCc2nc(Cl)c(C#N)c(-c3ccc(Cl)cc3)c2C1 ZINC000096511116 563485973 /nfs/dbraw/zinc/48/59/73/563485973.db2.gz QTNRUUFUXXGNOP-JTQLQIEISA-N 0 0 317.219 5.052 40 30 DKEBRN CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OC ZINC000097943319 332203161 /nfs/dbraw/zinc/20/31/61/332203161.db2.gz WKDUVICSOMXTKJ-MOPGFXCFSA-N 0 0 310.522 6.277 40 30 DKEBRN CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-] ZINC000097978609 717142070 /nfs/dbraw/zinc/14/20/70/717142070.db2.gz UTTVXKGNTWZECK-UHFFFAOYSA-N 0 0 313.570 6.822 40 30 DKEBRN C=C(F)CCCCCCCCC(=O)OCCc1ccccc1 ZINC000098174934 256559271 /nfs/dbraw/zinc/55/92/71/256559271.db2.gz NXWYUAGQZIYTAU-UHFFFAOYSA-N 0 0 306.421 5.376 40 30 DKEBRN CCCCCCCCCCCCCCCCCC(=O)NCO ZINC000100005557 563820952 /nfs/dbraw/zinc/82/09/52/563820952.db2.gz JHOKTNSTUVKGJC-UHFFFAOYSA-N 0 0 313.526 5.314 40 30 DKEBRN COc1ccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)cc1 ZINC000100013530 563544736 /nfs/dbraw/zinc/54/47/36/563544736.db2.gz HLJXCFUTNROPTR-GZLYRTHNSA-N 0 0 315.376 5.861 40 30 DKEBRN c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000100018467 563544417 /nfs/dbraw/zinc/54/44/17/563544417.db2.gz BEIHVSJTPTXQGB-UNJMICPPSA-N 0 0 300.365 5.244 40 30 DKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000100033235 563545011 /nfs/dbraw/zinc/54/50/11/563545011.db2.gz DXBKBOXWXFVJCH-XSFVSMFZSA-N 0 0 318.332 5.138 40 30 DKEBRN COc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100033520 563545162 /nfs/dbraw/zinc/54/51/62/563545162.db2.gz FRDSJSFBUBRPCO-RCCKNPSSSA-N 0 0 303.361 5.238 40 30 DKEBRN CCCCCCCCCCCCCCCCOS(C)(=O)=O ZINC000100035360 193792993 /nfs/dbraw/zinc/79/29/93/193792993.db2.gz FESYLDKBOOCXRD-UHFFFAOYSA-N 0 0 320.539 5.444 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000100035614 563545117 /nfs/dbraw/zinc/54/51/17/563545117.db2.gz RRWVQCQILSVTOW-WBQIDJJASA-N 0 0 316.198 5.059 40 30 DKEBRN CCCCCCCCCCCC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000100037303 563545019 /nfs/dbraw/zinc/54/50/19/563545019.db2.gz HBNRDICPKOJUQQ-UHFFFAOYSA-N 0 0 319.445 6.007 40 30 DKEBRN CCCCCCCCCCCCOc1cc(Cl)ccc1N ZINC000100038943 563545134 /nfs/dbraw/zinc/54/51/34/563545134.db2.gz ZGDJUXJOTZYVPQ-UHFFFAOYSA-N 0 0 311.897 6.222 40 30 DKEBRN O=C(/C=C\c1ccccc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000100039356 563544902 /nfs/dbraw/zinc/54/49/02/563544902.db2.gz AWZUBXVXZYOHJJ-FNBMSSDVSA-N 0 0 311.384 5.333 40 30 DKEBRN N#Cc1ccccc1/N=C/c1c2ccccc2cc2ccccc21 ZINC000100041567 563628678 /nfs/dbraw/zinc/62/86/78/563628678.db2.gz KGUJEGURHQJVDE-BUVRLJJBSA-N 0 0 306.368 5.615 40 30 DKEBRN Fc1ccc(/C=N/c2ccc(/N=C/c3ccc(F)cc3)cc2)cc1 ZINC000100042452 563545166 /nfs/dbraw/zinc/54/51/66/563545166.db2.gz PXLVXXHBFOCRHF-RNIAWFEPSA-N 0 0 320.342 5.466 40 30 DKEBRN CCCCCCCC[C@@H](C)[C@@H](CC(=O)c1ccccc1)[N+](=O)[O-] ZINC000100047047 563545496 /nfs/dbraw/zinc/54/54/96/563545496.db2.gz RMUJGJJPZJRQSW-SJLPKXTDSA-N 0 0 319.445 5.291 40 30 DKEBRN CCCCCCCC[C@H](C)[C@@H](CC(=O)c1ccccc1)[N+](=O)[O-] ZINC000100047048 563545506 /nfs/dbraw/zinc/54/55/06/563545506.db2.gz RMUJGJJPZJRQSW-FUHWJXTLSA-N 0 0 319.445 5.291 40 30 DKEBRN CCCCCCCC[C@@H](C)[C@H](CC(=O)c1ccccc1)[N+](=O)[O-] ZINC000100047049 256559612 /nfs/dbraw/zinc/55/96/12/256559612.db2.gz RMUJGJJPZJRQSW-AEFFLSMTSA-N 0 0 319.445 5.291 40 30 DKEBRN CCCCCCCC[C@H](C)[C@H](CC(=O)c1ccccc1)[N+](=O)[O-] ZINC000100047050 563545547 /nfs/dbraw/zinc/54/55/47/563545547.db2.gz RMUJGJJPZJRQSW-WMZOPIPTSA-N 0 0 319.445 5.291 40 30 DKEBRN CCCCCCCCCCCCCCCc1nnc(N)s1 ZINC000100047574 563545470 /nfs/dbraw/zinc/54/54/70/563545470.db2.gz ZVFRSCJVDZALRX-UHFFFAOYSA-N 0 0 311.539 5.754 40 30 DKEBRN CC1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C)C1=O ZINC000100048189 563545571 /nfs/dbraw/zinc/54/55/71/563545571.db2.gz QJQMLCUZRRVCPJ-UHFFFAOYSA-N 0 0 324.464 5.286 40 30 DKEBRN C=CCNC(=O)CCCCCCCCCCCCCCCCC ZINC000100058598 563545553 /nfs/dbraw/zinc/54/55/53/563545553.db2.gz HKKGHYAJDLYYNC-UHFFFAOYSA-N 0 0 323.565 6.550 40 30 DKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccc2ccccc2n1 ZINC000100059823 563545510 /nfs/dbraw/zinc/54/55/10/563545510.db2.gz KBLQMCOPFRGJEI-IWIPYMOSSA-N 0 0 320.395 5.557 40 30 DKEBRN C(=N/c1ccc(N2Cc3ccccc3C2)cc1)\c1cccs1 ZINC000100060419 563628823 /nfs/dbraw/zinc/62/88/23/563628823.db2.gz AMNYTTRKAATLAZ-UDWIEESQSA-N 0 0 304.418 5.019 40 30 DKEBRN CCCCCCCCCS(=O)(=O)CCCCCCCCC ZINC000100070433 332207158 /nfs/dbraw/zinc/20/71/58/332207158.db2.gz AZFJJOWPFXJREO-UHFFFAOYSA-N 0 0 318.567 5.902 40 30 DKEBRN CCCCCCCCCCCCc1ccc(/C(C)=N/O)cc1 ZINC000100071646 332207138 /nfs/dbraw/zinc/20/71/38/332207138.db2.gz KWNFEBOPTMQWNY-DYTRJAOYSA-N 0 0 303.490 6.348 40 30 DKEBRN C=COC(=O)CCCCCCC/C=C\CCCCCCCC ZINC000100072853 193794520 /nfs/dbraw/zinc/79/45/20/193794520.db2.gz LPUZTLKYAOOFDX-QXMHVHEDSA-N 0 0 308.506 6.711 40 30 DKEBRN C=CCOC(=O)CCCCCCC/C=C\CCCCCCCC ZINC000100072934 332207123 /nfs/dbraw/zinc/20/71/23/332207123.db2.gz SOAVQBSGNVIIEI-QXMHVHEDSA-N 0 0 322.533 6.753 40 30 DKEBRN CC(C)(C)c1ccc(/C=N\c2ccc(Br)cc2)cc1 ZINC000100074261 563628874 /nfs/dbraw/zinc/62/88/74/563628874.db2.gz WHBQEMWZBCDYQN-UNOMPAQXSA-N 0 0 316.242 5.497 40 30 DKEBRN CCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000100074537 332207243 /nfs/dbraw/zinc/20/72/43/332207243.db2.gz NJQLLUIPSJLJHY-UHFFFAOYSA-N 0 0 321.464 6.355 40 30 DKEBRN CCCCCCCCOS(=O)OCCCCCCCC ZINC000100075331 332207236 /nfs/dbraw/zinc/20/72/36/332207236.db2.gz KTSKBTNGZJPRPD-UHFFFAOYSA-N 0 0 306.512 5.319 40 30 DKEBRN CCCCCCCCCS(=O)CCCCCCCCC ZINC000100076147 332207217 /nfs/dbraw/zinc/20/72/17/332207217.db2.gz VYXNJCCBPKNMBN-UHFFFAOYSA-N 0 0 302.568 6.236 40 30 DKEBRN CCCCCCCSCCCSCCCCCCC ZINC000100076913 332207200 /nfs/dbraw/zinc/20/72/00/332207200.db2.gz PLGADXQGRYCGTD-UHFFFAOYSA-N 0 0 304.609 6.784 40 30 DKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccco3)cc1)C2 ZINC000100102542 193794733 /nfs/dbraw/zinc/79/47/33/193794733.db2.gz STFOFOPIYBMAJM-WSDLNYQXSA-N 0 0 316.404 5.167 40 30 DKEBRN CCCCCCCCCCCCCCCCCCCCC(C)C ZINC000100104883 193794456 /nfs/dbraw/zinc/79/44/56/193794456.db2.gz AISQJRLSHDWVGU-UHFFFAOYSA-N 0 0 324.637 9.074 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116523 193795281 /nfs/dbraw/zinc/79/52/81/193795281.db2.gz VSFCUNFOBNDQGN-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116660 193795434 /nfs/dbraw/zinc/79/54/34/193795434.db2.gz VAOUFOVVKOSEDO-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116717 563628818 /nfs/dbraw/zinc/62/88/18/563628818.db2.gz QSKPVFYVVLSJFY-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116798 193795400 /nfs/dbraw/zinc/79/54/00/193795400.db2.gz SGBNDYKEGJQSIH-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N\c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000100116802 563628742 /nfs/dbraw/zinc/62/87/42/563628742.db2.gz QRTOADIKXRTTJK-UUYOSTAYSA-N 0 0 310.347 5.123 40 30 DKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116816 563628756 /nfs/dbraw/zinc/62/87/56/563628756.db2.gz MKDNUBYQEKLPSA-LPYMAVHISA-N 0 0 318.420 5.167 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116867 563628871 /nfs/dbraw/zinc/62/88/71/563628871.db2.gz AMPHKCIJJZVSMK-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN CCCCCCCOc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000100153199 563546919 /nfs/dbraw/zinc/54/69/19/563546919.db2.gz LTMTVQZVKFOJCI-UHFFFAOYSA-N 0 0 317.473 5.098 40 30 DKEBRN CCCCCCCCCC/C=C\CCCCCCCCCCC ZINC000100166783 563547049 /nfs/dbraw/zinc/54/70/49/563547049.db2.gz RIERBYNHXFKVQP-LNVKXUELSA-N 0 0 322.621 8.994 40 30 DKEBRN CCCCCCCCCC/C=C/CCCCCCCCCCC ZINC000100166784 563547322 /nfs/dbraw/zinc/54/73/22/563547322.db2.gz RIERBYNHXFKVQP-XTQSDGFTSA-N 0 0 322.621 8.994 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCCC(=O)OC ZINC000100168601 563547301 /nfs/dbraw/zinc/54/73/01/563547301.db2.gz HHJGGWUNSRWUFJ-ZHACJKMWSA-N 0 0 310.522 6.587 40 30 DKEBRN CCN1c2ccc(/C=N/c3ccc(F)cc3)cc2C(C)=CC1(C)C ZINC000100202501 563547590 /nfs/dbraw/zinc/54/75/90/563547590.db2.gz DBZPMPHEMZWJSE-OEAKJJBVSA-N 0 0 322.427 5.598 40 30 DKEBRN O=[N+]([O-])c1cccc(/C=N\c2ccc(Nc3ccccc3)cc2)c1 ZINC000100202936 563628651 /nfs/dbraw/zinc/62/86/51/563628651.db2.gz DZCBYRPPMXRXFW-ZHZULCJRSA-N 0 0 317.348 5.089 40 30 DKEBRN Clc1ccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000100203560 563547567 /nfs/dbraw/zinc/54/75/67/563547567.db2.gz DODPHFHLGDVPDB-FFRCMLGQSA-N 0 0 319.795 6.506 40 30 DKEBRN c1ccc(CC(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100213337 563547862 /nfs/dbraw/zinc/54/78/62/563547862.db2.gz BNNOJXRUNSUHFM-AJVDQADQSA-N 0 0 314.392 5.439 40 30 DKEBRN c1ccc(CC(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000100213339 563547880 /nfs/dbraw/zinc/54/78/80/563547880.db2.gz BNNOJXRUNSUHFM-FWOYJBNGSA-N 0 0 314.392 5.439 40 30 DKEBRN Fc1ccc(/C=N\c2ccc(/N=C\c3ccc(F)cc3)cc2)cc1 ZINC000100227696 563548272 /nfs/dbraw/zinc/54/82/72/563548272.db2.gz PXLVXXHBFOCRHF-GACBQCINSA-N 0 0 320.342 5.466 40 30 DKEBRN CC1(C)CC(=O)C=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000100245254 563548737 /nfs/dbraw/zinc/54/87/37/563548737.db2.gz RFIVUMXMMDFGEM-FCQUAONHSA-N 0 0 319.408 5.787 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/c1cccc(C(F)(F)F)c1 ZINC000100248240 563548753 /nfs/dbraw/zinc/54/87/53/563548753.db2.gz PJAREUICBHGCKB-SSDVNMTOSA-N 0 0 315.294 5.315 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1cc(Cl)cc(Cl)c1 ZINC000100248322 563628785 /nfs/dbraw/zinc/62/87/85/563628785.db2.gz SFMATYCRGKODHP-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000100248326 193797169 /nfs/dbraw/zinc/79/71/69/193797169.db2.gz LTRXHTNIQLGEJM-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1Cl ZINC000100248330 563776701 /nfs/dbraw/zinc/77/67/01/563776701.db2.gz GPKDOQXGDFCIMD-KEBDBYFISA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N\c2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000100248459 563548625 /nfs/dbraw/zinc/54/86/25/563548625.db2.gz KZBBIQYIKNGLJY-JJFYIABZSA-N 0 0 315.294 5.315 40 30 DKEBRN Oc1c(/C=N\c2cc(Cl)cc(Cl)c2)ccc2ccccc12 ZINC000100248591 563548751 /nfs/dbraw/zinc/54/87/51/563548751.db2.gz FKUACTFXYUIMIV-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N\c2ccc(Cl)c(Cl)c2)ccc2ccccc12 ZINC000100248593 563548618 /nfs/dbraw/zinc/54/86/18/563548618.db2.gz RNVCOPRBUHMLTO-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N\c2cccc(Cl)c2Cl)ccc2ccccc12 ZINC000100248599 563548563 /nfs/dbraw/zinc/54/85/63/563548563.db2.gz FHHPCHFHZLIZRU-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(/C=N\c2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000100248607 563548631 /nfs/dbraw/zinc/54/86/31/563548631.db2.gz YNCALXBQJVGDSJ-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN CN(C)c1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000100253294 257214870 /nfs/dbraw/zinc/21/48/70/257214870.db2.gz YUKPSVJYPSYVLB-HZHRSRAPSA-N 0 0 312.416 5.074 40 30 DKEBRN CCCCCCCCCCCCC(=O)Nc1ccc(C)cc1 ZINC000100286098 563549105 /nfs/dbraw/zinc/54/91/05/563549105.db2.gz BMPFJGOOKUDFHC-UHFFFAOYSA-N 0 0 303.490 6.245 40 30 DKEBRN CCCCCCCCCCCCC(=O)Nc1ccc(C)c(C)c1 ZINC000100286100 563549084 /nfs/dbraw/zinc/54/90/84/563549084.db2.gz VHPMPCMXQDBSKO-UHFFFAOYSA-N 0 0 317.517 6.553 40 30 DKEBRN CCCCCCCCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000100286102 563549104 /nfs/dbraw/zinc/54/91/04/563549104.db2.gz VKMYCVVXOMDWGS-UHFFFAOYSA-N 0 0 323.908 6.590 40 30 DKEBRN CCCCCC/C=C/C=C\CCCCCCCC(=O)OCC ZINC000100291335 563549136 /nfs/dbraw/zinc/54/91/36/563549136.db2.gz ZREKOPQLWZLLHM-PVHUKWJHSA-N 0 0 308.506 6.363 40 30 DKEBRN CCCCCCCCCCCCCCCCOc1ccccn1 ZINC000100292159 256562209 /nfs/dbraw/zinc/56/22/09/256562209.db2.gz KEPLGVIQZKUMPL-UHFFFAOYSA-N 0 0 319.533 6.942 40 30 DKEBRN CCCCCCCC(=O)OC1CCC(C2CCCCC2)CC1 ZINC000100295209 563548989 /nfs/dbraw/zinc/54/89/89/563548989.db2.gz LDAOJDCYCCXSOX-UHFFFAOYSA-N 0 0 308.506 6.029 40 30 DKEBRN CCCCCCC[C@@](C)(O)C#C[C@@](C)(O)CCCCCCC ZINC000100295385 563548947 /nfs/dbraw/zinc/54/89/47/563548947.db2.gz YQZDQYQFVQTSLL-BGYRXZFFSA-N 0 0 310.522 5.213 40 30 DKEBRN CCCCCCC[C@@](CC#N)(CCCCC)CCCCCC ZINC000100295651 563549063 /nfs/dbraw/zinc/54/90/63/563549063.db2.gz SOULKXPPGBPHBK-OAQYLSRUSA-N 0 0 307.566 7.798 40 30 DKEBRN CCCCCCC[C@](CC#N)(CCCCC)CCCCCC ZINC000100295654 563549114 /nfs/dbraw/zinc/54/91/14/563549114.db2.gz SOULKXPPGBPHBK-NRFANRHFSA-N 0 0 307.566 7.798 40 30 DKEBRN CCCCCCCC/C=C/C/C=C\C/C=C\CCCC(=O)OC ZINC000100296241 563549075 /nfs/dbraw/zinc/54/90/75/563549075.db2.gz AESHPAQQBZWZMS-KNRYYAFXSA-N 0 0 320.517 6.529 40 30 DKEBRN CCCCCCCC/C=C/C/C=C/C/C=C\CCCC(=O)OC ZINC000100296249 563548993 /nfs/dbraw/zinc/54/89/93/563548993.db2.gz AESHPAQQBZWZMS-AXQXZUSGSA-N 0 0 320.517 6.529 40 30 DKEBRN CCCCCCCC/C=C\CCCCCCCC1=NC[C@H](C)O1 ZINC000100299026 256562257 /nfs/dbraw/zinc/56/22/57/256562257.db2.gz NAGNXDBJZOWMCT-PISNEZEASA-N 0 0 321.549 6.841 40 30 DKEBRN CCCCCCCC/C=C\CCCCCCCC1=NC[C@@H](C)O1 ZINC000100299030 256562141 /nfs/dbraw/zinc/56/21/41/256562141.db2.gz NAGNXDBJZOWMCT-JPMGXVIASA-N 0 0 321.549 6.841 40 30 DKEBRN CCCCCCCCc1cscc1CCCCCCCC ZINC000100300810 563871685 /nfs/dbraw/zinc/87/16/85/563871685.db2.gz WAOUDPOLPWAIGN-UHFFFAOYSA-N 0 0 308.575 7.554 40 30 DKEBRN CCCCCCCCCCC1OCC(CC)(CCCC)CO1 ZINC000100302320 193797872 /nfs/dbraw/zinc/79/78/72/193797872.db2.gz APYMTCKWSGBOPV-UHFFFAOYSA-N 0 0 312.538 6.477 40 30 DKEBRN CCCCCCCCCCCC(=O)OCCc1ccccc1 ZINC000100302661 256562277 /nfs/dbraw/zinc/56/22/77/256562277.db2.gz WAKJZNSYKIRWFX-UHFFFAOYSA-N 0 0 304.474 5.693 40 30 DKEBRN CCCCCCCCCCCC(=O)OCCC[C@@H]1CCCO1 ZINC000100302662 563591959 /nfs/dbraw/zinc/59/19/59/563591959.db2.gz TWMYTXPKFHKPAQ-SFHVURJKSA-N 0 0 312.494 5.410 40 30 DKEBRN CCCCCCCCCCCC(=O)OCCC[C@H]1CCCO1 ZINC000100302663 256562094 /nfs/dbraw/zinc/56/20/94/256562094.db2.gz TWMYTXPKFHKPAQ-GOSISDBHSA-N 0 0 312.494 5.410 40 30 DKEBRN CCCCCCCCCCC[C@@H]1OC(=O)c2ccccc2S1 ZINC000100303213 563549434 /nfs/dbraw/zinc/54/94/34/563549434.db2.gz PLXQGGOKMAIBCY-GOSISDBHSA-N 0 0 320.498 6.196 40 30 DKEBRN CCCCCCCCCCC[C@H]1OC(=O)c2ccccc2S1 ZINC000100303219 563549560 /nfs/dbraw/zinc/54/95/60/563549560.db2.gz PLXQGGOKMAIBCY-SFHVURJKSA-N 0 0 320.498 6.196 40 30 DKEBRN CCCCCCCCCCCCCC(=O)N1CCCCCC1 ZINC000100304344 563549577 /nfs/dbraw/zinc/54/95/77/563549577.db2.gz RGLSXODCHCGASK-UHFFFAOYSA-N 0 0 309.538 6.090 40 30 DKEBRN CCCCCCCCCCCCCCC[N+]1([O-])CCCCC1 ZINC000100305486 256562294 /nfs/dbraw/zinc/56/22/94/256562294.db2.gz BYQMVSJJNRZFOW-UHFFFAOYSA-N 0 0 311.554 6.576 40 30 DKEBRN CCCCCCCCCCCCCCCCCCOC(N)=O ZINC000100309392 563591797 /nfs/dbraw/zinc/59/17/97/563591797.db2.gz IULGYNXPKZHCIA-UHFFFAOYSA-N 0 0 313.526 6.343 40 30 DKEBRN CCCCCCCCCCCCCCCCCn1nnnc1N ZINC000100309686 563549502 /nfs/dbraw/zinc/54/95/02/563549502.db2.gz SWXNRDNXBGEFIH-UHFFFAOYSA-N 0 0 323.529 5.127 40 30 DKEBRN CCCCCCCCCCCCCCCCNC(=O)OCC ZINC000100309898 193797963 /nfs/dbraw/zinc/79/79/63/193797963.db2.gz VRVVZKNTLCDQKY-UHFFFAOYSA-N 0 0 313.526 6.214 40 30 DKEBRN CCCCCCCCCCCOc1ccc(C(=O)OC)cc1 ZINC000100311935 563549518 /nfs/dbraw/zinc/54/95/18/563549518.db2.gz SZKFYRVEZVLGGX-UHFFFAOYSA-N 0 0 306.446 5.383 40 30 DKEBRN CCN(CC)c1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1 ZINC000100323089 563592390 /nfs/dbraw/zinc/59/23/90/563592390.db2.gz UBALVLNVVLVINJ-HYARGMPZSA-N 0 0 324.468 5.421 40 30 DKEBRN CCCCCCCOP(=O)(CC)OCCCCCCC ZINC000100348736 563549824 /nfs/dbraw/zinc/54/98/24/563549824.db2.gz RBPHHEPCSXTUGB-UHFFFAOYSA-N 0 0 306.427 6.173 40 30 DKEBRN O=C(/C=C/c1ccccc1)c1ccc(/N=C\c2ccccc2)cc1 ZINC000100356812 257232254 /nfs/dbraw/zinc/23/22/54/257232254.db2.gz AWZUBXVXZYOHJJ-CSMLLFHVSA-N 0 0 311.384 5.333 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N\c1cc(Cl)ccc1Cl ZINC000100356918 257232261 /nfs/dbraw/zinc/23/22/61/257232261.db2.gz XKCAZLOMMZNJGR-JMIUGGIZSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(C(F)(F)F)cc1 ZINC000100361133 257232265 /nfs/dbraw/zinc/23/22/65/257232265.db2.gz KIRVADGRJHVVSY-SSDVNMTOSA-N 0 0 315.294 5.315 40 30 DKEBRN Cc1ccc(-c2nc3cc(/N=C/c4cccs4)ccc3o2)cc1 ZINC000100384139 563550120 /nfs/dbraw/zinc/55/01/20/563550120.db2.gz ABYOJFCAVIVRDQ-UDWIEESQSA-N 0 0 318.401 5.615 40 30 DKEBRN Clc1ccc(N=CC=CC=CNc2ccc(Cl)cc2)cc1 ZINC000100387992 563550176 /nfs/dbraw/zinc/55/01/76/563550176.db2.gz WTWFKWTUCHNTRE-APKBAPGDSA-N 0 0 317.219 5.878 40 30 DKEBRN Clc1ccccc1/C=N\c1ccc2c(c1)Cc1ccccc1-2 ZINC000100390279 256562993 /nfs/dbraw/zinc/56/29/93/256562993.db2.gz RQANWMRAMAMUPT-XKZIYDEJSA-N 0 0 303.792 5.662 40 30 DKEBRN Clc1ccc(/C=N\c2c3ccccc3nc3ccccc32)cc1 ZINC000100399229 563410321 /nfs/dbraw/zinc/41/03/21/563410321.db2.gz MXDRBVRUMYLRJQ-XKZIYDEJSA-N 0 0 316.791 5.792 40 30 DKEBRN Clc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000100399260 563550574 /nfs/dbraw/zinc/55/05/74/563550574.db2.gz IWRNISVIASUDSF-XKZIYDEJSA-N 0 0 303.792 5.662 40 30 DKEBRN CCCCCCCCCCCCCCn1ccc([N+](=O)[O-])n1 ZINC000100412129 563821784 /nfs/dbraw/zinc/82/17/84/563821784.db2.gz IXHFRTWLZFPASX-UHFFFAOYSA-N 0 0 309.454 5.492 40 30 DKEBRN CCCCCCCCCCCCCC(=O)N(CCC)CCC ZINC000100441915 563550551 /nfs/dbraw/zinc/55/05/51/563550551.db2.gz PKBVZAWBXRCKIR-UHFFFAOYSA-N 0 0 311.554 6.336 40 30 DKEBRN Oc1ccccc1/C=N\c1c(Cl)cc(Cl)cc1Cl ZINC000100456725 563550899 /nfs/dbraw/zinc/55/08/99/563550899.db2.gz YDRZYEMILXPXEN-IDUWFGFVSA-N 0 0 300.572 5.103 40 30 DKEBRN O=C1c2cccc3cccc(c23)/C1=C1\Cc2cccc3cccc1c23 ZINC000100486382 563550820 /nfs/dbraw/zinc/55/08/20/563550820.db2.gz JSWJSPMNGGIXBV-ATJXCDBQSA-N 0 0 318.375 5.656 40 30 DKEBRN Cc1cccc2c1-c1ncccc1/C2=N/c1ccc2ccccc2c1 ZINC000100494366 256563874 /nfs/dbraw/zinc/56/38/74/256563874.db2.gz UBUAXPOHXGHXIN-YYDJUVGSSA-N 0 0 320.395 5.693 40 30 DKEBRN Cc1ccc(/N=C2\c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000100494520 563631370 /nfs/dbraw/zinc/63/13/70/563631370.db2.gz UWTZXEAARWQSOP-ZNTNEXAZSA-N 0 0 320.395 5.693 40 30 DKEBRN c1ccc(/N=C2\c3ccccc3-c3nc4ccccc4cc32)cc1 ZINC000100494522 563631381 /nfs/dbraw/zinc/63/13/81/563631381.db2.gz UWTCJPZYQZEGDV-XTQSDGFTSA-N 0 0 306.368 5.384 40 30 DKEBRN CCCCCCCC/C=C\CC/C=C\CCCCCC(=O)OC ZINC000100501227 193800903 /nfs/dbraw/zinc/80/09/03/193800903.db2.gz CTSXBIWMRVFRKZ-JPTBNZNUSA-N 0 0 322.533 6.753 40 30 DKEBRN CCCCCCCCCC/C=C\CCCCCCCC(=O)OC ZINC000100501240 563551461 /nfs/dbraw/zinc/55/14/61/563551461.db2.gz XEJYCWVISZMIDA-SEYXRHQNSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCCCCCCC/C=C/C=C/C=C/C(=O)OC ZINC000100501244 563551479 /nfs/dbraw/zinc/55/14/79/563551479.db2.gz OTGPOJAJEGAHRA-LVJOJNLGSA-N 0 0 320.517 6.529 40 30 DKEBRN CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC ZINC000100501246 563551445 /nfs/dbraw/zinc/55/14/45/563551445.db2.gz NDWBPPVTFNMEBT-KJTFIQBESA-N 0 0 316.485 6.081 40 30 DKEBRN CCCCCCCC[C@@H]1CCC[C@@H]1CCCCCCC(=O)OC ZINC000100501330 563551490 /nfs/dbraw/zinc/55/14/90/563551490.db2.gz WKEGNAWJPAIDLH-UXHICEINSA-N 0 0 324.549 6.667 40 30 DKEBRN CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC(=O)OC ZINC000100501332 563551405 /nfs/dbraw/zinc/55/14/05/563551405.db2.gz WKEGNAWJPAIDLH-PMACEKPBSA-N 0 0 324.549 6.667 40 30 DKEBRN CCCCCCCCCCCCCC[C@H](O)CC(=O)OC ZINC000100501521 193800616 /nfs/dbraw/zinc/80/06/16/193800616.db2.gz OJTSKRLQHYPZAM-KRWDZBQOSA-N 0 0 300.483 5.002 40 30 DKEBRN CCCCCCCCCCCCCC[C@@H](O)CC(=O)OC ZINC000100501523 193800921 /nfs/dbraw/zinc/80/09/21/193800921.db2.gz OJTSKRLQHYPZAM-QGZVFWFLSA-N 0 0 300.483 5.002 40 30 DKEBRN FC(F)(F)c1cc(C(F)(F)F)c(C(F)(F)F)cc1Cl ZINC000100502952 256564042 /nfs/dbraw/zinc/56/40/42/256564042.db2.gz KNTHVWLEGWINPK-UHFFFAOYSA-N 0 0 316.550 5.396 40 30 DKEBRN CCCCCCCCCCCC(=O)Nc1ccccc1OC ZINC000100503822 563632205 /nfs/dbraw/zinc/63/22/05/563632205.db2.gz ARNJTVVATRKKLI-UHFFFAOYSA-N 0 0 305.462 5.555 40 30 DKEBRN CCCCCCCCCCCCOc1ccc(C(N)=O)cc1 ZINC000100503830 563551426 /nfs/dbraw/zinc/55/14/26/563551426.db2.gz SQHZUTLJHWVEDH-UHFFFAOYSA-N 0 0 305.462 5.085 40 30 DKEBRN Cc1n[nH]c(C)c1Sc1ccccc1/N=C\c1ccc(C)cc1 ZINC000100505555 563632312 /nfs/dbraw/zinc/63/23/12/563632312.db2.gz FYXMQJHUYVZULP-NDENLUEZSA-N 0 0 321.449 5.237 40 30 DKEBRN COc1ccc(/N=C/c2sc3ccccc3c2Cl)cc1 ZINC000100518993 193800714 /nfs/dbraw/zinc/80/07/14/193800714.db2.gz GGFKRAYKEKGKHD-VCHYOVAHSA-N 0 0 301.798 5.314 40 30 DKEBRN CCCCCCCCn1c2ccccc2c(=O)c2ccccc21 ZINC000100562856 256564335 /nfs/dbraw/zinc/56/43/35/256564335.db2.gz LNPQNXKSERIERE-UHFFFAOYSA-N 0 0 307.437 5.515 40 30 DKEBRN CCCCCCCOc1ccc(-c2nc(CCCC)no2)cc1 ZINC000100570269 563631816 /nfs/dbraw/zinc/63/18/16/563631816.db2.gz LIOMRMMHEHCEFO-UHFFFAOYSA-N 0 0 316.445 5.428 40 30 DKEBRN CCCCCCCCSC(=O)c1cc2ccccc2oc1=O ZINC000100608344 256564309 /nfs/dbraw/zinc/56/43/09/256564309.db2.gz MSNIPPHTEKFHGX-UHFFFAOYSA-N 0 0 318.438 5.027 40 30 DKEBRN CCCCCCCCc1ccc(-c2ccc(C(C)=O)cc2)cc1 ZINC000100623319 256564345 /nfs/dbraw/zinc/56/43/45/256564345.db2.gz NLMDQDFMICZCNT-UHFFFAOYSA-N 0 0 308.465 6.459 40 30 DKEBRN Cc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 ZINC000100661919 563552725 /nfs/dbraw/zinc/55/27/25/563552725.db2.gz MJBITRPMEGQAQH-HJWRWDBZSA-N 0 0 306.192 5.110 40 30 DKEBRN CCc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1 ZINC000100661920 256564562 /nfs/dbraw/zinc/56/45/62/256564562.db2.gz BEIGEJAIBJTLFJ-KTKRTIGZSA-N 0 0 320.219 5.364 40 30 DKEBRN CCCCCCCCCCCCc1ccc(O)c2ncccc12 ZINC000100675265 563552764 /nfs/dbraw/zinc/55/27/64/563552764.db2.gz QTQGZESNAUUANR-UHFFFAOYSA-N 0 0 313.485 6.404 40 30 DKEBRN CCCCCCCCCCCCOC(=O)c1ccc(N)cc1 ZINC000100721047 563632549 /nfs/dbraw/zinc/63/25/49/563632549.db2.gz IXYYMEVNJZMVBN-UHFFFAOYSA-N 0 0 305.462 5.347 40 30 DKEBRN CCCCCCCCCCCn1c(C=O)nc2ccccc21 ZINC000100757152 256565307 /nfs/dbraw/zinc/56/53/07/256565307.db2.gz ZDUCQUHSIIMVTP-UHFFFAOYSA-N 0 0 300.446 5.380 40 30 DKEBRN CCCCCCCCCCCC(=O)c1cc(OCC)ccc1O ZINC000100922046 563554164 /nfs/dbraw/zinc/55/41/64/563554164.db2.gz BAQZOPBWUCSIHW-UHFFFAOYSA-N 0 0 320.473 5.895 40 30 DKEBRN CCCCCCCCCCC/C(=N\O)c1cccc(C)c1O ZINC000100922062 563554060 /nfs/dbraw/zinc/55/40/60/563554060.db2.gz OEYAOSFXIMJUAN-CZIZESTLSA-N 0 0 305.462 5.800 40 30 DKEBRN CCCCCCCCCCC/C(=N\O)c1cc(OC)ccc1O ZINC000100922064 563554265 /nfs/dbraw/zinc/55/42/65/563554265.db2.gz RINYJKOREIMPSC-CZIZESTLSA-N 0 0 321.461 5.500 40 30 DKEBRN CCCCCCCCCCCc1ccc(O)c(/C(C)=N/O)c1 ZINC000100922065 563554084 /nfs/dbraw/zinc/55/40/84/563554084.db2.gz AVOZALTZOVZTLB-CAPFRKAQSA-N 0 0 305.462 5.664 40 30 DKEBRN CCCCCCCCCCCCC[C@H](O)c1cc(C)ccc1O ZINC000100922094 563554205 /nfs/dbraw/zinc/55/42/05/563554205.db2.gz ITFYDLBUGJNIFS-FQEVSTJZSA-N 0 0 320.517 6.435 40 30 DKEBRN CCCCCCCCCCCCC[C@@H](O)c1cc(C)ccc1O ZINC000100922096 563554041 /nfs/dbraw/zinc/55/40/41/563554041.db2.gz ITFYDLBUGJNIFS-HXUWFJFHSA-N 0 0 320.517 6.435 40 30 DKEBRN CCCCCCCCCCCCCC(=O)c1ccc(OC)cc1 ZINC000100922100 563646991 /nfs/dbraw/zinc/64/69/91/563646991.db2.gz QPEFYYXRDDRXOY-UHFFFAOYSA-N 0 0 318.501 6.579 40 30 DKEBRN CCCCCCCCCCCCCC(=O)c1ccc(O)cc1 ZINC000100922107 563554106 /nfs/dbraw/zinc/55/41/06/563554106.db2.gz ODJVEVORUCLLIG-UHFFFAOYSA-N 0 0 304.474 6.276 40 30 DKEBRN CCCCCCC#C[C@]1(O)CCC[C@@H]1CCCc1ccco1 ZINC000100922224 256566643 /nfs/dbraw/zinc/56/66/43/256566643.db2.gz KQPJBOZKLGQIDU-ICSRJNTNSA-N 0 0 302.458 5.107 40 30 DKEBRN CCCCCCC#C[C@@]1(O)CCC[C@@H]1CCCc1ccco1 ZINC000100922227 563554029 /nfs/dbraw/zinc/55/40/29/563554029.db2.gz KQPJBOZKLGQIDU-AZUAARDMSA-N 0 0 302.458 5.107 40 30 DKEBRN CCCCCCC#C[C@]1(O)CCC[C@H]1CCCc1ccco1 ZINC000100922228 563554198 /nfs/dbraw/zinc/55/41/98/563554198.db2.gz KQPJBOZKLGQIDU-QUCCMNQESA-N 0 0 302.458 5.107 40 30 DKEBRN CCCCCCC#C[C@@]1(O)CCC[C@H]1CCCc1ccco1 ZINC000100922231 563554114 /nfs/dbraw/zinc/55/41/14/563554114.db2.gz KQPJBOZKLGQIDU-UYAOXDASSA-N 0 0 302.458 5.107 40 30 DKEBRN CCCCCCCCCCCC(=O)c1ccc(OC)cc1OC ZINC000100923390 563632922 /nfs/dbraw/zinc/63/29/22/563632922.db2.gz FDXVJFCEKUIDJF-UHFFFAOYSA-N 0 0 320.473 5.807 40 30 DKEBRN CCCCCCCCCCCC(=O)OCCSCCCC ZINC000100923509 563554125 /nfs/dbraw/zinc/55/41/25/563554125.db2.gz MIWFWXUGDQJPBP-UHFFFAOYSA-N 0 0 316.551 5.984 40 30 DKEBRN CCCCCCCCOCC(O)COCCCCCCCC ZINC000100923942 563877760 /nfs/dbraw/zinc/87/77/60/563877760.db2.gz RBGYBTJRVDFANH-UHFFFAOYSA-N 0 0 316.526 5.102 40 30 DKEBRN CCCCCCCCSCc1ccc(O)c2ncccc12 ZINC000100923956 563554127 /nfs/dbraw/zinc/55/41/27/563554127.db2.gz OZDAUHFJWXMPIN-UHFFFAOYSA-N 0 0 303.471 5.534 40 30 DKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(C(C)C)cc1 ZINC000100924917 563554245 /nfs/dbraw/zinc/55/42/45/563554245.db2.gz CZLICZRGXKLIBS-QURGRASLSA-N 0 0 317.517 6.909 40 30 DKEBRN CCCCCCCCCCCCC/C(=N\O)c1ccccc1 ZINC000100924921 563554075 /nfs/dbraw/zinc/55/40/75/563554075.db2.gz KCOLLAAYRLGNFV-QZQOTICOSA-N 0 0 303.490 6.566 40 30 DKEBRN CCCCCCCC/C(=N\O)c1ccc(OCCCC)cc1O ZINC000100925725 256566406 /nfs/dbraw/zinc/56/64/06/256566406.db2.gz LRVKJQSEXHEZLB-CZIZESTLSA-N 0 0 321.461 5.500 40 30 DKEBRN CCCCCCCCC(=O)c1ccc(OCCCC)cc1O ZINC000100925779 563554094 /nfs/dbraw/zinc/55/40/94/563554094.db2.gz YONBOYBQLMTLFI-UHFFFAOYSA-N 0 0 306.446 5.504 40 30 DKEBRN CCCCCCCOCCOCCSCCCCCCC ZINC000100925992 563554090 /nfs/dbraw/zinc/55/40/90/563554090.db2.gz VGEFKPJXOQFOPI-UHFFFAOYSA-N 0 0 318.567 5.694 40 30 DKEBRN CCCCCCCCCCCCNC(=S)NCCCC ZINC000100926008 563554068 /nfs/dbraw/zinc/55/40/68/563554068.db2.gz XEUGAFYBCVLSIJ-UHFFFAOYSA-N 0 0 300.556 5.172 40 30 DKEBRN CCCCCCCCCCCCc1ccc(O)c(/C(C)=N/O)c1 ZINC000100926100 563554116 /nfs/dbraw/zinc/55/41/16/563554116.db2.gz ZWWDLJZZLSBGDA-HEHNFIMWSA-N 0 0 319.489 6.054 40 30 DKEBRN CCCCCCCOCCSCCOCCCCCCC ZINC000100931350 563554224 /nfs/dbraw/zinc/55/42/24/563554224.db2.gz URXSIAPMJCOWFC-UHFFFAOYSA-N 0 0 318.567 5.694 40 30 DKEBRN CCCCCCCCCC[C@H]1Oc2ccc(C)cc2/C1=N/O ZINC000100931373 563554255 /nfs/dbraw/zinc/55/42/55/563554255.db2.gz VVRUMXVGPNEDPX-PXBNPBHZSA-N 0 0 303.446 5.465 40 30 DKEBRN CCCCCCCCCC[C@@H]1Oc2ccc(C)cc2/C1=N/O ZINC000100931374 563554673 /nfs/dbraw/zinc/55/46/73/563554673.db2.gz VVRUMXVGPNEDPX-ONNQFXDFSA-N 0 0 303.446 5.465 40 30 DKEBRN CCCCCCCC(=O)c1cc(C)cc(Br)c1O ZINC000100931376 563554649 /nfs/dbraw/zinc/55/46/49/563554649.db2.gz KZDNVTAUUGNFHU-UHFFFAOYSA-N 0 0 313.235 5.006 40 30 DKEBRN CCCCCCCCCCCCCC[C@@H](/C=N\O)SC ZINC000100931981 563554813 /nfs/dbraw/zinc/55/48/13/563554813.db2.gz SNVACFUTEDBSOE-HMNTXPNISA-N 0 0 301.540 6.269 40 30 DKEBRN CCCCCCCCCCCCCC[C@H](/C=N\O)SC ZINC000100931984 563554782 /nfs/dbraw/zinc/55/47/82/563554782.db2.gz SNVACFUTEDBSOE-FXBHHXAOSA-N 0 0 301.540 6.269 40 30 DKEBRN CCCCCCCCCCOc1ccccc1-c1nnco1 ZINC000100932677 563554788 /nfs/dbraw/zinc/55/47/88/563554788.db2.gz PPCWXMKGTAZVAE-UHFFFAOYSA-N 0 0 302.418 5.256 40 30 DKEBRN CCCCCCCCCCC(=N/O)/C(=N\O)c1ccccc1 ZINC000100932695 563554838 /nfs/dbraw/zinc/55/48/38/563554838.db2.gz CXNBLLXKQKZPPV-CLFAGFIQSA-N 0 0 304.434 5.226 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1c(O)cc(C)c(Cl)c1C ZINC000100933801 563554842 /nfs/dbraw/zinc/55/48/42/563554842.db2.gz YGTORFJRNIVIIN-UFWORHAWSA-N 0 0 308.208 5.375 40 30 DKEBRN CCCCCCCCCCCC(=O)c1ccc(OC)cc1O ZINC000100934021 563554694 /nfs/dbraw/zinc/55/46/94/563554694.db2.gz DGYUFIVVHLVDTD-UHFFFAOYSA-N 0 0 306.446 5.504 40 30 DKEBRN CCCCCCCCCCCCS[C@@H]1CCCC/C1=N\O ZINC000100934039 256567011 /nfs/dbraw/zinc/56/70/11/256567011.db2.gz RVWHHVNHRGDTHX-SELCWUDQSA-N 0 0 313.551 6.413 40 30 DKEBRN CCCCCCCCCCCCS[C@H]1CCCC/C1=N\O ZINC000100934041 563554801 /nfs/dbraw/zinc/55/48/01/563554801.db2.gz RVWHHVNHRGDTHX-GHNGSUTGSA-N 0 0 313.551 6.413 40 30 DKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(O)cc1O ZINC000100934550 563554617 /nfs/dbraw/zinc/55/46/17/563554617.db2.gz KZAGWSOMEDILLX-HTXNQAPBSA-N 0 0 307.434 5.197 40 30 DKEBRN CCCCCCCCCCCCCC(=O)c1cc(C)ccc1O ZINC000100934553 256567227 /nfs/dbraw/zinc/56/72/27/256567227.db2.gz ASXOHCHEEJBKIE-UHFFFAOYSA-N 0 0 318.501 6.584 40 30 DKEBRN CCCCCCCCCCCC(=O)c1cc(Cl)ccc1O ZINC000100934558 563554681 /nfs/dbraw/zinc/55/46/81/563554681.db2.gz PCRXMJZAAJPZRM-UHFFFAOYSA-N 0 0 310.865 6.149 40 30 DKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1O ZINC000100934560 563554722 /nfs/dbraw/zinc/55/47/22/563554722.db2.gz PHRGSELPTKNBMF-CZIZESTLSA-N 0 0 321.461 5.500 40 30 DKEBRN CCCCCCCCCCCCNC(=O)CSCCCC ZINC000100934619 563554761 /nfs/dbraw/zinc/55/47/61/563554761.db2.gz WVNVPABRSNFHMC-UHFFFAOYSA-N 0 0 315.567 5.557 40 30 DKEBRN CCCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1 ZINC000100934638 563554792 /nfs/dbraw/zinc/55/47/92/563554792.db2.gz IBOZBROZGVZKNU-UHFFFAOYSA-N 0 0 322.452 5.969 40 30 DKEBRN CCCCCCCCCCCCSCC(=O)NCCCC ZINC000100934659 563554692 /nfs/dbraw/zinc/55/46/92/563554692.db2.gz JSDOIPVOEJBLPB-UHFFFAOYSA-N 0 0 315.567 5.557 40 30 DKEBRN CCCCCCCCc1ccc(O)c(N=Nc2cccnc2)c1 ZINC000100934665 563554686 /nfs/dbraw/zinc/55/46/86/563554686.db2.gz VSOMWFKQRIGRLN-QURGRASLSA-N 0 0 311.429 6.106 40 30 DKEBRN CCCCCCCCC1=CC(=NNc2ccc(C)cc2)C(=O)C=C1 ZINC000100934676 256567218 /nfs/dbraw/zinc/56/72/18/256567218.db2.gz SYNUEWCWDMGPIN-GHVJWSGMSA-N 0 0 324.468 7.019 40 30 DKEBRN CCCCCCCCn1c2ccccc2nc1-c1ccccc1O ZINC000100934709 563554762 /nfs/dbraw/zinc/55/47/62/563554762.db2.gz QIRAMJDRBBFOTI-UHFFFAOYSA-N 0 0 322.452 5.769 40 30 DKEBRN CCCCCCCCCCS[C@@H]1CCCCCC/C1=N\O ZINC000100934742 256567089 /nfs/dbraw/zinc/56/70/89/256567089.db2.gz PDFALPKBAKEPHY-SELCWUDQSA-N 0 0 313.551 6.413 40 30 DKEBRN CCCCCCCCCCS[C@H]1CCCCCC/C1=N\O ZINC000100934744 256566985 /nfs/dbraw/zinc/56/69/85/256566985.db2.gz PDFALPKBAKEPHY-GHNGSUTGSA-N 0 0 313.551 6.413 40 30 DKEBRN CCCCCCCCCc1ccc2c(C(C)=O)ccc(O)c2n1 ZINC000100935821 563554769 /nfs/dbraw/zinc/55/47/69/563554769.db2.gz JXCVNIRQKZOVTD-UHFFFAOYSA-N 0 0 313.441 5.436 40 30 DKEBRN CCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O ZINC000100935830 563554797 /nfs/dbraw/zinc/55/47/97/563554797.db2.gz UWSYVXVNQQKGLW-UHFFFAOYSA-N 0 0 313.441 5.572 40 30 DKEBRN CCCCCCCCCCCCc1ccc2cccc(O)c2n1 ZINC000100935857 563554794 /nfs/dbraw/zinc/55/47/94/563554794.db2.gz BEMUMFSWSCDHBL-UHFFFAOYSA-N 0 0 313.485 6.404 40 30 DKEBRN CCCCCCCCCCCCc1ccc2cccnc2c1O ZINC000100935859 563554773 /nfs/dbraw/zinc/55/47/73/563554773.db2.gz WBVDIAQTOIUOSW-UHFFFAOYSA-N 0 0 313.485 6.404 40 30 DKEBRN CCCCCCCCCCCc1nc2ccccc2n1C(C)=O ZINC000100937287 256567069 /nfs/dbraw/zinc/56/70/69/256567069.db2.gz KHFUXCYXFLRFDA-UHFFFAOYSA-N 0 0 314.473 5.770 40 30 DKEBRN CCCCCCCCC/C(=N\O)c1cc(OCC)ccc1O ZINC000100954891 563554636 /nfs/dbraw/zinc/55/46/36/563554636.db2.gz FGHGCOQXRPKTCB-HTXNQAPBSA-N 0 0 307.434 5.110 40 30 DKEBRN CCCCCCCCc1ccc(-c2ccc(/C=N/O)cc2)cc1 ZINC000100954937 563554658 /nfs/dbraw/zinc/55/46/58/563554658.db2.gz ZPMWJPRVMNIIIK-OQKWZONESA-N 0 0 309.453 6.065 40 30 DKEBRN O/N=C1/CCCCCCCCCC[C@H]1N1CCc2ccccc21 ZINC000100964978 563554870 /nfs/dbraw/zinc/55/48/70/563554870.db2.gz HEMFWFXZZAPJNS-HWCXCKHPSA-N 0 0 314.473 5.163 40 30 DKEBRN O/N=C1/CCCCCCCCCC[C@@H]1N1CCc2ccccc21 ZINC000100964981 563554627 /nfs/dbraw/zinc/55/46/27/563554627.db2.gz HEMFWFXZZAPJNS-HUZQBFDWSA-N 0 0 314.473 5.163 40 30 DKEBRN CCc1nc(C)cn1[C@@H]1CCCCCCCCCC/C1=N/O ZINC000100964986 563554746 /nfs/dbraw/zinc/55/47/46/563554746.db2.gz SFJRISMOOBVMPN-XUMLYMLNSA-N 0 0 305.466 5.040 40 30 DKEBRN CCc1nc(C)cn1[C@H]1CCCCCCCCCC/C1=N/O ZINC000100964989 563554829 /nfs/dbraw/zinc/55/48/29/563554829.db2.gz SFJRISMOOBVMPN-IMGOXIFKSA-N 0 0 305.466 5.040 40 30 DKEBRN O/N=C1/CCCCCCCCCC[C@H]1n1cnc2ccccc21 ZINC000100966180 563555247 /nfs/dbraw/zinc/55/52/47/563555247.db2.gz GQYSIHBPUVRNGW-JUJXNAJKSA-N 0 0 313.445 5.322 40 30 DKEBRN O/N=C1/CCCCCCCCCC[C@@H]1n1cnc2ccccc21 ZINC000100966184 563555397 /nfs/dbraw/zinc/55/53/97/563555397.db2.gz GQYSIHBPUVRNGW-AJNNJPABSA-N 0 0 313.445 5.322 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccccc1Cl ZINC000100968385 563555415 /nfs/dbraw/zinc/55/54/15/563555415.db2.gz AXHLTHBUJQIFPP-FYJGNVAPSA-N 0 0 309.796 5.643 40 30 DKEBRN CCCCCCCc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000100968590 256566856 /nfs/dbraw/zinc/56/68/56/256566856.db2.gz ZGNZKLKFRCIOJI-UHFFFAOYSA-N 0 0 301.474 5.262 40 30 DKEBRN CCCCCCCC(=O)Nc1ccc(Br)cc1C ZINC000100971278 563555412 /nfs/dbraw/zinc/55/54/12/563555412.db2.gz VFONCEBPVDMPLK-UHFFFAOYSA-N 0 0 312.251 5.057 40 30 DKEBRN CCCCCCCCSCC(=O)Nc1ccc(Cl)cc1 ZINC000100977420 563555404 /nfs/dbraw/zinc/55/54/04/563555404.db2.gz GZTUVVUQWRNSIR-UHFFFAOYSA-N 0 0 313.894 5.372 40 30 DKEBRN CCCCCCCc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000100984503 563555268 /nfs/dbraw/zinc/55/52/68/563555268.db2.gz KSPIASVMXATULH-UHFFFAOYSA-N 0 0 309.453 5.130 40 30 DKEBRN CCCCCCCc1ccc(C(=O)NCc2ccc(C)cc2)cc1 ZINC000100984505 256567534 /nfs/dbraw/zinc/56/75/34/256567534.db2.gz SEHCSFBBNDOIAP-UHFFFAOYSA-N 0 0 323.480 5.438 40 30 DKEBRN CCCCCCCCCCNC(=S)N(C)Cc1ccccc1 ZINC000100984878 563555344 /nfs/dbraw/zinc/55/53/44/563555344.db2.gz LWLDECBUAASHEW-UHFFFAOYSA-N 0 0 320.546 5.134 40 30 DKEBRN CCCCCCCCCCNC(=S)N1[C@H](C)CCC[C@@H]1C ZINC000100984911 563555410 /nfs/dbraw/zinc/55/54/10/563555410.db2.gz IVDHRGNKLIOQMM-CALCHBBNSA-N 0 0 312.567 5.265 40 30 DKEBRN CCCCCCCCCCNC(=S)N1[C@@H](C)CCC[C@@H]1C ZINC000100984913 256567724 /nfs/dbraw/zinc/56/77/24/256567724.db2.gz IVDHRGNKLIOQMM-IRXDYDNUSA-N 0 0 312.567 5.265 40 30 DKEBRN CCCCCCCCCCNC(=S)N1[C@H](C)CCC[C@H]1C ZINC000100984915 563555388 /nfs/dbraw/zinc/55/53/88/563555388.db2.gz IVDHRGNKLIOQMM-IAGOWNOFSA-N 0 0 312.567 5.265 40 30 DKEBRN CCCCCCCc1ccc(NC(=O)c2cccs2)cc1 ZINC000100989240 563555239 /nfs/dbraw/zinc/55/52/39/563555239.db2.gz FPOWIFYIBMSMRQ-UHFFFAOYSA-N 0 0 301.455 5.513 40 30 DKEBRN CCCCCCCCCCCNc1ccc(C(=O)OCC)cc1 ZINC000101006069 193806276 /nfs/dbraw/zinc/80/62/76/193806276.db2.gz AYAPTTROXZGOGJ-UHFFFAOYSA-N 0 0 319.489 5.806 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1 ZINC000101006961 563555946 /nfs/dbraw/zinc/55/59/46/563555946.db2.gz OCBGTLAZPCJYRK-FYJGNVAPSA-N 0 0 309.796 5.643 40 30 DKEBRN CCN(CC)c1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1 ZINC000101029144 563555733 /nfs/dbraw/zinc/55/57/33/563555733.db2.gz HXPQZYSQXRSYJV-NDENLUEZSA-N 0 0 321.251 5.590 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1 ZINC000101035328 256567968 /nfs/dbraw/zinc/56/79/68/256567968.db2.gz WMGAPXNEMAKLJE-FYJGNVAPSA-N 0 0 309.796 5.643 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C ZINC000101035333 563556264 /nfs/dbraw/zinc/55/62/64/563556264.db2.gz PTDXPGPUKPOIBB-HYARGMPZSA-N 0 0 303.405 5.606 40 30 DKEBRN Fc1ccc(/N=C\c2ccc(/C=N\c3ccc(F)cc3)cc2)cc1 ZINC000101059202 256567988 /nfs/dbraw/zinc/56/79/88/256567988.db2.gz VBCDABROGMPOGB-GACBQCINSA-N 0 0 320.342 5.466 40 30 DKEBRN CC1=C/C(=C2/C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000101069070 563556254 /nfs/dbraw/zinc/55/62/54/563556254.db2.gz UTSXCYFVGSFPGR-FOCLMDBBSA-N 0 0 324.464 5.286 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 ZINC000101102186 563556261 /nfs/dbraw/zinc/55/62/61/563556261.db2.gz YJFFHXNEAXOMMF-LPYMAVHISA-N 0 0 323.823 5.951 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1C ZINC000101102352 563556190 /nfs/dbraw/zinc/55/61/90/563556190.db2.gz OBBOVLIVWUIEPV-HYARGMPZSA-N 0 0 303.405 5.606 40 30 DKEBRN CCOc1ccc(/N=C/c2c(OCC)ccc3ccccc32)cc1 ZINC000101102355 256568111 /nfs/dbraw/zinc/56/81/11/256568111.db2.gz HAWLEODUOCPFRE-PXLXIMEGSA-N 0 0 319.404 5.388 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cc(C)ccc1C ZINC000101102382 563556214 /nfs/dbraw/zinc/55/62/14/563556214.db2.gz JPRUBXZSGYHGHD-HYARGMPZSA-N 0 0 303.405 5.606 40 30 DKEBRN CCCCCCCCCCC/C=C\CCCCC(=O)OCC ZINC000101144802 563556202 /nfs/dbraw/zinc/55/62/02/563556202.db2.gz IKUZCNYUCLNCKN-PFONDFGASA-N 0 0 310.522 6.587 40 30 DKEBRN CCCCCC/C=C/CCCCCCCCOS(C)(=O)=O ZINC000101146162 563556250 /nfs/dbraw/zinc/55/62/50/563556250.db2.gz SNUPNOSJSJKCJM-CMDGGOBGSA-N 0 0 318.523 5.220 40 30 DKEBRN CC(C)c1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000101206563 563633576 /nfs/dbraw/zinc/63/35/76/563633576.db2.gz YFWNNPQWTMCUCT-MTJSOVHGSA-N 0 0 308.450 5.373 40 30 DKEBRN N#Cc1c2c(sc1/N=C\c1cccc3ccccc13)CCCC2 ZINC000101206609 563556697 /nfs/dbraw/zinc/55/66/97/563556697.db2.gz WVRFKFNQVMKOPK-XKZIYDEJSA-N 0 0 316.429 5.402 40 30 DKEBRN CCCCCCCCCCc1nc2ccccc2n1CCC ZINC000101433864 563557476 /nfs/dbraw/zinc/55/74/76/563557476.db2.gz CYCRLZPFKJTYCK-UHFFFAOYSA-N 0 0 300.490 6.130 40 30 DKEBRN CCCCCCCCCCc1nc2ccccc2n1CC(C)C ZINC000101433875 563557497 /nfs/dbraw/zinc/55/74/97/563557497.db2.gz DCGUUTQQCLODFE-UHFFFAOYSA-N 0 0 314.517 6.376 40 30 DKEBRN CCCCCCCC[C@@H]1CCCC[C@@H]1CCCCCCCC ZINC000101435798 563557503 /nfs/dbraw/zinc/55/75/03/563557503.db2.gz NTOKGSQOUBXQAJ-SZPZYZBQSA-N 0 0 308.594 8.294 40 30 DKEBRN CCCCCCCC[C@H]1CCCC[C@@H]1CCCCCCCC ZINC000101435802 563557506 /nfs/dbraw/zinc/55/75/06/563557506.db2.gz NTOKGSQOUBXQAJ-VXKWHMMOSA-N 0 0 308.594 8.294 40 30 DKEBRN CCCCCCCC[C@@H]1CCCC[C@H]1CCCCCCCC ZINC000101435804 563557470 /nfs/dbraw/zinc/55/74/70/563557470.db2.gz NTOKGSQOUBXQAJ-FGZHOGPDSA-N 0 0 308.594 8.294 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)c(C)c1 ZINC000101444282 563633978 /nfs/dbraw/zinc/63/39/78/563633978.db2.gz YBIOOJKMDAQQME-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN O=C(C=CNc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000101512843 193814847 /nfs/dbraw/zinc/81/48/47/193814847.db2.gz OPSNAJILPRMUKG-OUKQBFOZSA-N 0 0 307.780 5.302 40 30 DKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1 ZINC000101533343 563821778 /nfs/dbraw/zinc/82/17/78/563821778.db2.gz LRESEYSYBUYARF-PXLXIMEGSA-N 0 0 301.389 5.325 40 30 DKEBRN C/C(=N\c1ccccc1)N(C(=O)c1ccccc1)c1ccccc1 ZINC000101548307 256569909 /nfs/dbraw/zinc/56/99/09/256569909.db2.gz JPHWLCJMHIFVNT-OQKWZONESA-N 0 0 314.388 5.084 40 30 DKEBRN C/C(=N\c1sc2c(c1C#N)CCCC2)c1cc(C)c(C)cc1C ZINC000101560412 256569945 /nfs/dbraw/zinc/56/99/45/256569945.db2.gz FKFHNXLPCBKIIA-PXLXIMEGSA-N 0 0 322.477 5.565 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(C)c1 ZINC000101667537 563558249 /nfs/dbraw/zinc/55/82/49/563558249.db2.gz BIROEMPLNLAOQZ-HYARGMPZSA-N 0 0 303.405 5.606 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cc(C)cc(C)c1 ZINC000101667541 256570357 /nfs/dbraw/zinc/57/03/57/256570357.db2.gz SFYZICIQVVFFIV-HYARGMPZSA-N 0 0 303.405 5.606 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C ZINC000101667569 563558259 /nfs/dbraw/zinc/55/82/59/563558259.db2.gz SZPJIGYIMZKVCI-LPYMAVHISA-N 0 0 323.823 5.951 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccccc1OCC ZINC000101667586 563558120 /nfs/dbraw/zinc/55/81/20/563558120.db2.gz PXXPULUJWNFQTA-PXLXIMEGSA-N 0 0 319.404 5.388 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc(CC)cc1 ZINC000101667591 256570359 /nfs/dbraw/zinc/57/03/59/256570359.db2.gz RRSDPYSWFPYJNW-PXLXIMEGSA-N 0 0 303.405 5.552 40 30 DKEBRN COc1ccc(/C=N/c2c3ccccc3nc3ccccc32)cc1 ZINC000101670306 563851138 /nfs/dbraw/zinc/85/11/38/563851138.db2.gz QTJODCOJYSKGHP-HYARGMPZSA-N 0 0 312.372 5.147 40 30 DKEBRN CCCCCCCCC(CCCCCCCC)C(=O)NCC ZINC000101673682 256570387 /nfs/dbraw/zinc/57/03/87/256570387.db2.gz OADIHICTXURXSV-UHFFFAOYSA-N 0 0 311.554 6.240 40 30 DKEBRN C#Cc1ccc(-c2ccc(CCCCCCCCC)cc2)cc1 ZINC000101674550 563851162 /nfs/dbraw/zinc/85/11/62/563851162.db2.gz FYPWYXFGSKNBLL-UHFFFAOYSA-N 0 0 304.477 6.628 40 30 DKEBRN CCCCCCCNC(=O)CCCC(=O)CCCCCCC ZINC000101674662 256570403 /nfs/dbraw/zinc/57/04/03/256570403.db2.gz UYZYETLOWCQPTP-UHFFFAOYSA-N 0 0 311.510 5.173 40 30 DKEBRN C=C(C)C(=O)NCCCCCCCCCCCCCCCC ZINC000101713111 193837792 /nfs/dbraw/zinc/83/77/92/193837792.db2.gz YRGCLADHMAKURN-UHFFFAOYSA-N 0 0 309.538 6.160 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1cccc(Cl)c1 ZINC000101751266 563634486 /nfs/dbraw/zinc/63/44/86/563634486.db2.gz LPOMWOVFKHTBIN-MTJSOVHGSA-N 0 0 324.811 5.204 40 30 DKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000101768220 193841670 /nfs/dbraw/zinc/84/16/70/193841670.db2.gz MFNPGYOVTNAOQL-XKZIYDEJSA-N 0 0 318.420 5.167 40 30 DKEBRN C(=N\c1cccc2ccccc21)\c1ccc(N2CCCC2)cc1 ZINC000101768485 563634389 /nfs/dbraw/zinc/63/43/89/563634389.db2.gz SOWQCLXOHMSTGD-JWGURIENSA-N 0 0 300.405 5.191 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)c(F)c2)c(C)n1-c1ccc(C)cc1 ZINC000102930087 563871981 /nfs/dbraw/zinc/87/19/81/563871981.db2.gz XBYGYZDJICDEFD-FSJBWODESA-N 0 0 324.374 5.431 40 30 DKEBRN C[C@@H]1CC/C(=C\c2ccc(F)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000102969695 563560128 /nfs/dbraw/zinc/56/01/28/563560128.db2.gz UEYYHMGQSHKMPJ-BJFMJZMRSA-N 0 0 324.370 5.431 40 30 DKEBRN CCCCCCCCC[C@@H](CCCC)c1ccc(C(C)=O)cc1 ZINC000102978733 563560482 /nfs/dbraw/zinc/56/04/82/563560482.db2.gz GOXLCGDSFGISMF-OAQYLSRUSA-N 0 0 316.529 7.304 40 30 DKEBRN CCCCCCCCC[C@H](CCCC)c1ccc(C(C)=O)cc1 ZINC000102978736 563560709 /nfs/dbraw/zinc/56/07/09/563560709.db2.gz GOXLCGDSFGISMF-NRFANRHFSA-N 0 0 316.529 7.304 40 30 DKEBRN CCCCCCCCC(CCCCCCCC)c1ccncc1 ZINC000102996985 563560767 /nfs/dbraw/zinc/56/07/67/563560767.db2.gz FKJUROHLFBAGBU-UHFFFAOYSA-N 0 0 317.561 7.666 40 30 DKEBRN CCCCCCCCC/C(=N\O)c1ccc(-c2ccccc2)cc1 ZINC000102997125 563560515 /nfs/dbraw/zinc/56/05/15/563560515.db2.gz PFTRMKHVXHNYPY-GHVJWSGMSA-N 0 0 323.480 6.673 40 30 DKEBRN O/N=C1/c2ccccc2N=C1c1ccc(C2CCCCC2)cc1 ZINC000102998889 568418558 /nfs/dbraw/zinc/41/85/58/568418558.db2.gz JKCDPMDEWLXVTJ-XDOYNYLZSA-N 0 0 304.393 5.047 40 30 DKEBRN CCCCCCCCCCCCOc1ccc(/C(C)=N/O)cc1 ZINC000103005556 563560813 /nfs/dbraw/zinc/56/08/13/563560813.db2.gz SRQMHNUOUWZCHV-DYTRJAOYSA-N 0 0 319.489 6.185 40 30 DKEBRN CCCCCCCCCCCCOc1ccccc1C(=O)OC ZINC000103005638 256574247 /nfs/dbraw/zinc/57/42/47/256574247.db2.gz OQTVDGOGFXTKQK-UHFFFAOYSA-N 0 0 320.473 5.773 40 30 DKEBRN CCCCCCCCOc1ccc(/C=C2\CCCCC2=O)cc1 ZINC000103011731 256574392 /nfs/dbraw/zinc/57/43/92/256574392.db2.gz XNIOBDFTZRXUQA-HTXNQAPBSA-N 0 0 314.469 5.952 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccccc1C ZINC000103517811 563832118 /nfs/dbraw/zinc/83/21/18/563832118.db2.gz PYBFSRWDFCOWIE-QZQOTICOSA-N 0 0 320.461 5.252 40 30 DKEBRN N#Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3)o2)cc1 ZINC000103600350 563636412 /nfs/dbraw/zinc/63/64/12/563636412.db2.gz VFDGOVBLCYZMJQ-MTJSOVHGSA-N 0 0 306.752 5.222 40 30 DKEBRN CCCCCCCCCCCCCCCCCCSC ZINC000103630398 563561188 /nfs/dbraw/zinc/56/11/88/563561188.db2.gz BNORDZYQJMGMRG-UHFFFAOYSA-N 0 0 300.596 7.611 40 30 DKEBRN CCCCCCCC/C=C\CCCCCCCCC(=O)OC ZINC000103632788 563561128 /nfs/dbraw/zinc/56/11/28/563561128.db2.gz HHJGGWUNSRWUFJ-KHPPLWFESA-N 0 0 310.522 6.587 40 30 DKEBRN CCCCCCCCCCCCCCCCCCSCC ZINC000103633209 563561080 /nfs/dbraw/zinc/56/10/80/563561080.db2.gz SCXDNHDZZGVVOL-UHFFFAOYSA-N 0 0 314.623 8.001 40 30 DKEBRN Cc1cccc(/N=C2\c3ccccc3C(=O)[C@@H]2c2ccccc2)c1 ZINC000103659455 563561104 /nfs/dbraw/zinc/56/11/04/563561104.db2.gz KLCBZSTZPSWBSB-VLMSHNLISA-N 0 0 311.384 5.096 40 30 DKEBRN Cc1cccc(/N=C2\c3ccccc3C(=O)[C@H]2c2ccccc2)c1 ZINC000103659459 193951746 /nfs/dbraw/zinc/95/17/46/193951746.db2.gz KLCBZSTZPSWBSB-SSRRSSPNSA-N 0 0 311.384 5.096 40 30 DKEBRN CCCCCC/C=C/CCCCCCCCCCCC(=O)OC ZINC000103666453 563877689 /nfs/dbraw/zinc/87/76/89/563877689.db2.gz XQXARCJTXXEQEX-CMDGGOBGSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)OC ZINC000103682387 193950776 /nfs/dbraw/zinc/95/07/76/193950776.db2.gz AESHPAQQBZWZMS-WFDWJBHXSA-N 0 0 320.517 6.529 40 30 DKEBRN C=CCn1c(-c2ccc(C)cc2C)cs/c1=N/c1ccccc1 ZINC000103800428 563875443 /nfs/dbraw/zinc/87/54/43/563875443.db2.gz ATGXOUBHVMPIRD-QZQOTICOSA-N 0 0 320.461 5.252 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCC(O)=CC(C)=O ZINC000104048886 563562181 /nfs/dbraw/zinc/56/21/81/563562181.db2.gz NOFWUNDRGNPPMV-ZHACJKMWSA-N 0 0 322.533 6.572 40 30 DKEBRN CCCCCCCCCCCCC/C=N\N1CCCCCC1 ZINC000104061747 563562141 /nfs/dbraw/zinc/56/21/41/563562141.db2.gz LRAKKGYHSZTAQJ-UZYVYHOESA-N 0 0 308.554 6.549 40 30 DKEBRN CCCCCCCCCCCCC/C=N/N1CCCCCC1 ZINC000104061753 563561987 /nfs/dbraw/zinc/56/19/87/563561987.db2.gz LRAKKGYHSZTAQJ-DYTRJAOYSA-N 0 0 308.554 6.549 40 30 DKEBRN C(=N\c1ccc2ccc3cccc4ccc1c2c34)\c1ccncc1 ZINC000104062844 193978054 /nfs/dbraw/zinc/97/80/54/193978054.db2.gz RPQVYYCWTCHISJ-OYKKKHCWSA-N 0 0 306.368 5.730 40 30 DKEBRN Cc1ccc([C@]2(C)CC/C(=N/O)c3cc(C)c(C)cc32)cc1C ZINC000104083782 563562123 /nfs/dbraw/zinc/56/21/23/563562123.db2.gz XPJAADKGRAEPDC-AGGMBTAESA-N 0 0 307.437 5.198 40 30 DKEBRN Cc1ccc([C@@]2(C)CC/C(=N/O)c3cc(C)c(C)cc32)cc1C ZINC000104083785 563561872 /nfs/dbraw/zinc/56/18/72/563561872.db2.gz XPJAADKGRAEPDC-SADKCHQCSA-N 0 0 307.437 5.198 40 30 DKEBRN C(\Cc1ccccc1)=N/c1ccc(/N=C/Cc2ccccc2)cc1 ZINC000104084320 563562199 /nfs/dbraw/zinc/56/21/99/563562199.db2.gz BOVMFJGSVKOJEA-GJHDBBOXSA-N 0 0 312.416 5.577 40 30 DKEBRN C/C(=C\CC/C(C)=C\CO)CC/C=C(\C)CC[C@H]1OC1(C)C ZINC000104088216 563561996 /nfs/dbraw/zinc/56/19/96/563561996.db2.gz XCSZPKBSRHYGDR-XDEAVXKLSA-N 0 0 306.490 5.336 40 30 DKEBRN C/C(=C\CC/C(C)=C\CC/C(C)=C\CO)CC[C@H]1OC1(C)C ZINC000104088221 193981048 /nfs/dbraw/zinc/98/10/48/193981048.db2.gz XCSZPKBSRHYGDR-YAUOHWPHSA-N 0 0 306.490 5.336 40 30 DKEBRN c1ccc2nc(N=NC3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104097184 563561915 /nfs/dbraw/zinc/56/19/15/563561915.db2.gz DRTRHLQGQRLALF-HBWVRPOVSA-N 0 0 321.468 5.773 40 30 DKEBRN c1ccc2nc(N=NC3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000104097189 563561931 /nfs/dbraw/zinc/56/19/31/563561931.db2.gz DRTRHLQGQRLALF-FGLUDEAJSA-N 0 0 321.468 5.773 40 30 DKEBRN CCCCCC(/C=N\N=C/c1ccccc1O)=C/c1ccccc1 ZINC000104099040 563562579 /nfs/dbraw/zinc/56/25/79/563562579.db2.gz SPQAJJPMANNQQH-IATPPFKBSA-N 0 0 320.436 5.461 40 30 DKEBRN CCCCCCOc1ccc(/N=C\c2ccc(N(C)C)cc2)cc1 ZINC000104103745 563562446 /nfs/dbraw/zinc/56/24/46/563562446.db2.gz HCFWSHIXJCKIHK-XLNRJJMWSA-N 0 0 324.468 5.462 40 30 DKEBRN C=CCNC(=O)CCCCCCC/C=C/CCCCCCCC ZINC000104109736 563562371 /nfs/dbraw/zinc/56/23/71/563562371.db2.gz UAHKJTAJNWDPOC-VAWYXSNFSA-N 0 0 321.549 6.326 40 30 DKEBRN C(=N\c1ccccc1)\c1cn(Cc2ccccc2)c2ccccc12 ZINC000104113310 563562454 /nfs/dbraw/zinc/56/24/54/563562454.db2.gz NNSPGVOLAJAGOS-HAHDFKILSA-N 0 0 310.400 5.440 40 30 DKEBRN C/C(=C/C(=O)/C=C/c1ccccc1)c1c(C)[nH]c2ccccc21 ZINC000104126783 563562554 /nfs/dbraw/zinc/56/25/54/563562554.db2.gz YTBMDZFTXYXFIM-NQDQBVNISA-N 0 0 301.389 5.162 40 30 DKEBRN FC(F)(F)c1cccc(/N=C\c2ccc(Cl)cc2Cl)c1 ZINC000104127395 563562435 /nfs/dbraw/zinc/56/24/35/563562435.db2.gz AHILDFMCWZMNBF-ZBKNUEDVSA-N 0 0 318.125 5.763 40 30 DKEBRN Cc1cccc(C)c1/N=C(\c1ccccc1)N(O)c1ccccc1 ZINC000104130108 563562465 /nfs/dbraw/zinc/56/24/65/563562465.db2.gz QOQQSIAKQXIKJO-QURGRASLSA-N 0 0 316.404 5.278 40 30 DKEBRN ON(/C(=N/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000104130921 563562533 /nfs/dbraw/zinc/56/25/33/563562533.db2.gz RIMLEKYZILTMMY-XUTLUUPISA-N 0 0 322.795 5.314 40 30 DKEBRN ON(/C(=N/c1ccccc1)c1ccccc1Cl)c1ccccc1 ZINC000104130924 563562424 /nfs/dbraw/zinc/56/24/24/563562424.db2.gz APXDNRLGOWHYNP-XUTLUUPISA-N 0 0 322.795 5.314 40 30 DKEBRN CCCCCCCCCCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000104131728 563562386 /nfs/dbraw/zinc/56/23/86/563562386.db2.gz KXWFBLNTTDJYCU-UHFFFAOYSA-N 0 0 317.517 6.669 40 30 DKEBRN COc1ccccc1Oc1ccc(/N=C\c2ccc(C)cc2)cc1 ZINC000104136274 563562383 /nfs/dbraw/zinc/56/23/83/563562383.db2.gz ALJLLJURBVOYOA-JCMHNJIXSA-N 0 0 317.388 5.547 40 30 DKEBRN COc1ccc(/C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000104138435 256578166 /nfs/dbraw/zinc/57/81/66/256578166.db2.gz VOSYLUIXUDUEOF-DQRAZIAOSA-N 0 0 301.389 5.173 40 30 DKEBRN Cc1ccc(/N=C(/c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104138440 256578167 /nfs/dbraw/zinc/57/81/67/256578167.db2.gz DRCBABBQOHJJOL-MRCUWXFGSA-N 0 0 316.360 5.072 40 30 DKEBRN CCCCCCCCCCCCCCCc1cc(=O)n(C)n1C ZINC000104140447 563562510 /nfs/dbraw/zinc/56/25/10/563562510.db2.gz GBDPILLXEBRVDD-UHFFFAOYSA-N 0 0 322.537 5.358 40 30 DKEBRN CCN(CC)c1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000104140903 563562483 /nfs/dbraw/zinc/56/24/83/563562483.db2.gz UGMWYNBFKFWYQW-XKZIYDEJSA-N 0 0 320.358 5.302 40 30 DKEBRN CCCCCCCC/C=C/CCCCCCCCOC(N)=O ZINC000104143211 563562545 /nfs/dbraw/zinc/56/25/45/563562545.db2.gz UUBUNFOPMSFGBM-MDZDMXLPSA-N 0 0 311.510 6.119 40 30 DKEBRN CCCCCCCCC(CCCCCC)CCCCCCCC ZINC000104145409 256578239 /nfs/dbraw/zinc/57/82/39/256578239.db2.gz ZUSMXUXZJCOSPV-UHFFFAOYSA-N 0 0 324.637 9.074 40 30 DKEBRN C(#Cc1ccccc1)/C=C\C(=C/c1ccccc1)c1ccccc1 ZINC000104145839 256578219 /nfs/dbraw/zinc/57/82/19/256578219.db2.gz BBWSFFRSSUEGSH-LMRFGJGLSA-N 0 0 306.408 5.835 40 30 DKEBRN C(#Cc1ccccc1)/C=C\C(=C\c1ccccc1)c1ccccc1 ZINC000104145843 563831955 /nfs/dbraw/zinc/83/19/55/563831955.db2.gz BBWSFFRSSUEGSH-HMBVJMOCSA-N 0 0 306.408 5.835 40 30 DKEBRN C(#Cc1ccccc1)/C=C/C(=C\c1ccccc1)c1ccccc1 ZINC000104145846 563832090 /nfs/dbraw/zinc/83/20/90/563832090.db2.gz BBWSFFRSSUEGSH-MSVXBEEISA-N 0 0 306.408 5.835 40 30 DKEBRN CC1=CC[C@H](C/C=N\N=C/C[C@@H]2CC=C(C)C2(C)C)C1(C)C ZINC000104146746 563562994 /nfs/dbraw/zinc/56/29/94/563562994.db2.gz UVRRNRIPYUMHGA-AXQOLIKFSA-N 0 0 300.490 5.808 40 30 DKEBRN CC1=CC[C@H](C/C=N/N=C\C[C@@H]2CC=C(C)C2(C)C)C1(C)C ZINC000104146749 256578165 /nfs/dbraw/zinc/57/81/65/256578165.db2.gz UVRRNRIPYUMHGA-BUPOENCDSA-N 0 0 300.490 5.808 40 30 DKEBRN Brc1c(/N=C\c2ccccc2)ccc2ccccc12 ZINC000104146797 563563021 /nfs/dbraw/zinc/56/30/21/563563021.db2.gz GPEKPNUIYRXQCX-UNOMPAQXSA-N 0 0 310.194 5.353 40 30 DKEBRN CCCCCCCCOc1ccc(/C=N\c2ccc(C)cc2)cc1 ZINC000104149527 563563003 /nfs/dbraw/zinc/56/30/03/563563003.db2.gz MGCXMLKZHSEMFY-NKFKGCMQSA-N 0 0 323.480 6.485 40 30 DKEBRN CCCCCCCCCCCCCCOc1ccc(Cl)cc1 ZINC000104156309 332244204 /nfs/dbraw/zinc/24/42/04/332244204.db2.gz NGYRHCVFBFVZBQ-UHFFFAOYSA-N 0 0 324.936 7.420 40 30 DKEBRN CCCCCCCCCCCCCCOc1ccccc1Cl ZINC000104156320 332244155 /nfs/dbraw/zinc/24/41/55/332244155.db2.gz PFHKYVSHKQBTEE-UHFFFAOYSA-N 0 0 324.936 7.420 40 30 DKEBRN CCCCCCCCCCCOP(=O)(OCC)OCC ZINC000104156786 332244226 /nfs/dbraw/zinc/24/42/26/332244226.db2.gz JOYCEQIYEDDAIZ-UHFFFAOYSA-N 0 0 308.399 5.715 40 30 DKEBRN CCCCCCCCCCCCOP(=O)(OCC)OCC ZINC000104156844 332244135 /nfs/dbraw/zinc/24/41/35/332244135.db2.gz YBSWYHAWMOPART-UHFFFAOYSA-N 0 0 322.426 6.105 40 30 DKEBRN CCCCCCCCCSCP(=O)(OCC)OCC ZINC000104158036 563563014 /nfs/dbraw/zinc/56/30/14/563563014.db2.gz ZCEQICOTPFPAQV-UHFFFAOYSA-N 0 0 310.440 5.694 40 30 DKEBRN CCCC/N=C(/Cl)C(Cl)(c1ccccc1)c1ccccc1 ZINC000104161645 262514919 /nfs/dbraw/zinc/51/49/19/262514919.db2.gz WJEJNRFXLIIGDX-HEHNFIMWSA-N 0 0 320.263 5.606 40 30 DKEBRN CCCC/N=C(\Cl)C(Cl)(c1ccccc1)c1ccccc1 ZINC000104161648 563563000 /nfs/dbraw/zinc/56/30/00/563563000.db2.gz WJEJNRFXLIIGDX-FXBPSFAMSA-N 0 0 320.263 5.606 40 30 DKEBRN CCCCCCCCCCCCOP(OCC)OCC ZINC000104162205 563563019 /nfs/dbraw/zinc/56/30/19/563563019.db2.gz BJQNLIAFYAFGLD-UHFFFAOYSA-N 0 0 306.427 6.224 40 30 DKEBRN C=C(C)Nc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000104162255 336383872 /nfs/dbraw/zinc/38/38/72/336383872.db2.gz UNIXWPHXIBVMSG-UHFFFAOYSA-N 0 0 301.393 5.322 40 30 DKEBRN CCCCCCCN(CCCCCCC)C(=O)N(CC)CC ZINC000104162771 563562988 /nfs/dbraw/zinc/56/29/88/563562988.db2.gz NCNOHIFPJKVOIA-UHFFFAOYSA-N 0 0 312.542 5.691 40 30 DKEBRN Clc1ccc(/C=N\c2cccc3ccccc32)cc1Cl ZINC000104168922 563563040 /nfs/dbraw/zinc/56/30/40/563563040.db2.gz YPPCAEJHDOFNKI-JAIQZWGSSA-N 0 0 300.188 5.897 40 30 DKEBRN CCCCCCCOc1ccc(C(C)=O)cc1Br ZINC000104171052 563962072 /nfs/dbraw/zinc/96/20/72/563962072.db2.gz MNRUMDPWSRDONR-UHFFFAOYSA-N 0 0 313.235 5.001 40 30 DKEBRN CN(C)c1cc2c(cc1/N=C\c1ccccc1)-c1ccccc1C2 ZINC000104180844 563562993 /nfs/dbraw/zinc/56/29/93/563562993.db2.gz ZFDCBPPTLBZNCI-HAHDFKILSA-N 0 0 312.416 5.074 40 30 DKEBRN CCCCCCCCCCCCCCCC/C(C)=C\C(=O)OC ZINC000104182456 563563011 /nfs/dbraw/zinc/56/30/11/563563011.db2.gz AZZOYVMQHRIZAE-VXPUYCOJSA-N 0 0 324.549 6.977 40 30 DKEBRN CCCCCCCCCCCCCCCC/C(C)=C/C(=O)OC ZINC000104182459 262514920 /nfs/dbraw/zinc/51/49/20/262514920.db2.gz AZZOYVMQHRIZAE-FMQUCBEESA-N 0 0 324.549 6.977 40 30 DKEBRN Clc1ccc(N=CC=CC=CNc2ccc(Cl)cc2)cc1 ZINC000104185957 257232624 /nfs/dbraw/zinc/23/26/24/257232624.db2.gz WTWFKWTUCHNTRE-AHDIFAEQSA-N 0 0 317.219 5.878 40 30 DKEBRN Clc1ccc(N=CC=CC=CNc2ccc(Cl)cc2)cc1 ZINC000104185959 257232602 /nfs/dbraw/zinc/23/26/02/257232602.db2.gz WTWFKWTUCHNTRE-WZQUBXSPSA-N 0 0 317.219 5.878 40 30 DKEBRN N#Cc1cc(Cl)ccc1/N=C\c1c(Cl)cccc1Cl ZINC000104186660 257232505 /nfs/dbraw/zinc/23/25/05/257232505.db2.gz QAYKJTRIFDZVFP-UWVJOHFNSA-N 0 0 309.583 5.269 40 30 DKEBRN CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/O ZINC000104187848 257232618 /nfs/dbraw/zinc/23/26/18/257232618.db2.gz YZGDEEMSAYQUKK-DNISPXHZSA-N 0 0 300.229 5.807 40 30 DKEBRN CCCCCCC(/C=C/c1c(Cl)cccc1Cl)=N/O ZINC000104190461 257232547 /nfs/dbraw/zinc/23/25/47/257232547.db2.gz PUEGRAKIEVPHNE-DNUBFSQISA-N 0 0 300.229 5.807 40 30 DKEBRN Oc1ccc2ccccc2c1/C=N/Sc1ccc(Cl)cc1 ZINC000104191029 257232561 /nfs/dbraw/zinc/23/25/61/257232561.db2.gz CYLRWWIYEBHCSL-YBFXNURJSA-N 0 0 313.809 5.325 40 30 DKEBRN CC(C)c1ccccc1Oc1ccccc1/N=C1\CCN(C)C1 ZINC000104193467 257232456 /nfs/dbraw/zinc/23/24/56/257232456.db2.gz XOAORAZSHRYBHP-LTGZKZEYSA-N 0 0 308.425 5.010 40 30 DKEBRN CCCCCCCCCCCCCCCC[N+]1([O-])CCCC1 ZINC000104198972 257232614 /nfs/dbraw/zinc/23/26/14/257232614.db2.gz BASCZXQTSVHQGC-UHFFFAOYSA-N 0 0 311.554 6.576 40 30 DKEBRN CCCCCCCCCCCCCCC[N+]1([O-])CCOCC1 ZINC000104199007 257232543 /nfs/dbraw/zinc/23/25/43/257232543.db2.gz JPXHJKWEQRBBLK-UHFFFAOYSA-N 0 0 313.526 5.422 40 30 DKEBRN CCCCCCCCCCCCCC[N+]1([O-])CCCCCC1 ZINC000104199017 257232608 /nfs/dbraw/zinc/23/26/08/257232608.db2.gz SBOMHBTVBXSCJT-UHFFFAOYSA-N 0 0 311.554 6.576 40 30 DKEBRN CCCCCCCCCCCC[N+](C)([O-])Cc1ccccc1 ZINC000104199077 257232536 /nfs/dbraw/zinc/23/25/36/257232536.db2.gz RVEOWIKLUCVCEJ-UHFFFAOYSA-N 0 0 305.506 6.052 40 30 DKEBRN CC[C@@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 ZINC000104202235 257232487 /nfs/dbraw/zinc/23/24/87/257232487.db2.gz DIGFDSKHRTWNJX-VFJWVMJUSA-N 0 0 312.416 5.538 40 30 DKEBRN CC[C@@]1(c2ccccc2)Nc2ccccc2/C1=N\c1ccccc1 ZINC000104202238 257232521 /nfs/dbraw/zinc/23/25/21/257232521.db2.gz DIGFDSKHRTWNJX-MOBKVPTQSA-N 0 0 312.416 5.538 40 30 DKEBRN CC[C@]1(c2ccccc2)Nc2ccccc2/C1=N/c1ccccc1 ZINC000104202241 257232501 /nfs/dbraw/zinc/23/25/01/257232501.db2.gz DIGFDSKHRTWNJX-RKKARLDVSA-N 0 0 312.416 5.538 40 30 DKEBRN CCCCCCCCCCCCSCCSCCC ZINC000104205600 257232522 /nfs/dbraw/zinc/23/25/22/257232522.db2.gz QWWITAJJHMJTRO-UHFFFAOYSA-N 0 0 304.609 6.784 40 30 DKEBRN CCCCCCCCCCCCCOC(=O)c1ccc(O)cc1 ZINC000104206625 257232490 /nfs/dbraw/zinc/23/24/90/257232490.db2.gz AKVYEIVWNCVUPZ-UHFFFAOYSA-N 0 0 320.473 5.860 40 30 DKEBRN CCCCCCCCCCCCOC(=O)c1ccc(Cl)cc1 ZINC000104206640 257232583 /nfs/dbraw/zinc/23/25/83/257232583.db2.gz AEOLFEGHEDCXAW-UHFFFAOYSA-N 0 0 324.892 6.418 40 30 DKEBRN C=CCN(/N=N\c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000104213619 257231122 /nfs/dbraw/zinc/23/11/22/257231122.db2.gz QAMOZSHTXPKNTM-HNENSFHCSA-N 0 0 306.196 5.685 40 30 DKEBRN CCCCCCCC[C@@H](O)C#C[C@@H](O)CCCCCCCC ZINC000104215563 257232627 /nfs/dbraw/zinc/23/26/27/257232627.db2.gz UPQOCKAXPCWLRK-BGYRXZFFSA-N 0 0 310.522 5.213 40 30 DKEBRN CCCCCCCC[C@@H](O)C#C[C@H](O)CCCCCCCC ZINC000104215567 257232566 /nfs/dbraw/zinc/23/25/66/257232566.db2.gz UPQOCKAXPCWLRK-WOJBJXKFSA-N 0 0 310.522 5.213 40 30 DKEBRN CCCCCCCC[C@H](O)C#C[C@@H](O)CCCCCCCC ZINC000104215573 257232527 /nfs/dbraw/zinc/23/25/27/257232527.db2.gz UPQOCKAXPCWLRK-PMACEKPBSA-N 0 0 310.522 5.213 40 30 DKEBRN Cc1ccc(/N=C\c2ccc(/C=N\c3ccc(C)cc3)cc2)cc1 ZINC000104220244 257232524 /nfs/dbraw/zinc/23/25/24/257232524.db2.gz ROQLXPPNAATARP-MPKYGIEOSA-N 0 0 312.416 5.805 40 30 DKEBRN FC(F)(F)c1cccc(/N=C\c2c(Cl)cccc2Cl)c1 ZINC000104227006 257232519 /nfs/dbraw/zinc/23/25/19/257232519.db2.gz NVJMOSATGDSLOB-ZBKNUEDVSA-N 0 0 318.125 5.763 40 30 DKEBRN O=c1[nH]c2ccccc2c(N=Cc2ccccc2)c1-c1ccccc1 ZINC000104237874 256579070 /nfs/dbraw/zinc/57/90/70/256579070.db2.gz SQEAFJKSMHKVGU-HAHDFKILSA-N 0 0 324.383 5.358 40 30 DKEBRN Fc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2F)cc1 ZINC000104239834 563563447 /nfs/dbraw/zinc/56/34/47/563563447.db2.gz APKZTEMTWQNLIF-GACBQCINSA-N 0 0 320.342 5.466 40 30 DKEBRN Fc1ccccc1/N=C/c1ccc(/C=N\c2ccccc2F)cc1 ZINC000104239839 256578923 /nfs/dbraw/zinc/57/89/23/256578923.db2.gz APKZTEMTWQNLIF-NQGGHMMCSA-N 0 0 320.342 5.466 40 30 DKEBRN CC1(C)CC(Nc2ccccc2)=C/C(=N\c2ccccc2)S1 ZINC000104246877 563563338 /nfs/dbraw/zinc/56/33/38/563563338.db2.gz QTTIYHVOGGDRHF-DYTRJAOYSA-N 0 0 308.450 5.628 40 30 DKEBRN CCCCCC/C=C\CCCCCCCc1cccc(OC)c1 ZINC000104253116 563563667 /nfs/dbraw/zinc/56/36/67/563563667.db2.gz NLGAKMJVJUUZEQ-HJWRWDBZSA-N 0 0 316.529 7.105 40 30 DKEBRN CCCCCC/C=C/CCCCCCCc1cccc(OC)c1 ZINC000104253121 256578921 /nfs/dbraw/zinc/57/89/21/256578921.db2.gz NLGAKMJVJUUZEQ-CMDGGOBGSA-N 0 0 316.529 7.105 40 30 DKEBRN CCCCCCCCCCCCCCCCCC1=NC[C@H](C)O1 ZINC000104260041 563563810 /nfs/dbraw/zinc/56/38/10/563563810.db2.gz RHSNPEVUYIMVQJ-FQEVSTJZSA-N 0 0 323.565 7.065 40 30 DKEBRN CCCCCCCCCCCCCCCCCC1=NC[C@@H](C)O1 ZINC000104260045 563563741 /nfs/dbraw/zinc/56/37/41/563563741.db2.gz RHSNPEVUYIMVQJ-HXUWFJFHSA-N 0 0 323.565 7.065 40 30 DKEBRN CCCCCCCCCCCCCC(=O)Oc1ccc[nH]c1=O ZINC000104267688 563563836 /nfs/dbraw/zinc/56/38/36/563563836.db2.gz AAVJFOFQNJPGNR-UHFFFAOYSA-N 0 0 321.461 5.394 40 30 DKEBRN O=C(Nc1ccccc1)O/N=C1\CCCCC1=Cc1ccccc1 ZINC000104289069 563563673 /nfs/dbraw/zinc/56/36/73/563563673.db2.gz LKOSOOKZYUARPW-LYTOJIMKSA-N 0 0 320.392 5.249 40 30 DKEBRN C[C@@H]1CC/C(=C/c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000104318023 563564327 /nfs/dbraw/zinc/56/43/27/563564327.db2.gz UEYYHMGQSHKMPJ-MVCXFYGJSA-N 0 0 324.370 5.431 40 30 DKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1ccnc2ccccc12 ZINC000104322098 563564234 /nfs/dbraw/zinc/56/42/34/563564234.db2.gz OEMXZWRIXXMIFX-MYYYXRDXSA-N 0 0 320.395 5.557 40 30 DKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1cccc2ccccc12 ZINC000104322105 563564344 /nfs/dbraw/zinc/56/43/44/563564344.db2.gz ANBJXMZQKPJSMF-XYGWBWBKSA-N 0 0 319.407 6.162 40 30 DKEBRN CCCCCCCCCCOC(=N)c1ccc(O)c(OCC)c1 ZINC000104324781 563564286 /nfs/dbraw/zinc/56/42/86/563564286.db2.gz YNBNMMSQSDOLLN-UHFFFAOYSA-N 0 0 321.461 5.274 40 30 DKEBRN Cc1ccc(/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000104327317 563564509 /nfs/dbraw/zinc/56/45/09/563564509.db2.gz YNIHQFHZKWPBEI-MRCUWXFGSA-N 0 0 314.344 5.053 40 30 DKEBRN CCCCCCCCCCCCCC[n+]1cccc(C(=O)[O-])c1 ZINC000104330335 256579200 /nfs/dbraw/zinc/57/92/00/256579200.db2.gz ZCMUCNUFIPFJIF-UHFFFAOYSA-O 0 0 320.497 5.373 40 30 DKEBRN CCCCCCCC(=O)O[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104335790 563564239 /nfs/dbraw/zinc/56/42/39/563564239.db2.gz JZJYBCWANZPAHU-RTBURBONSA-N 0 0 308.506 6.029 40 30 DKEBRN CCCCCCCC(=O)O[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104335793 256579190 /nfs/dbraw/zinc/57/91/90/256579190.db2.gz JZJYBCWANZPAHU-MOPGFXCFSA-N 0 0 308.506 6.029 40 30 DKEBRN CCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000104335797 256579288 /nfs/dbraw/zinc/57/92/88/256579288.db2.gz JZJYBCWANZPAHU-RBUKOAKNSA-N 0 0 308.506 6.029 40 30 DKEBRN CCCCCCCC(=O)O[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000104335799 256579386 /nfs/dbraw/zinc/57/93/86/256579386.db2.gz JZJYBCWANZPAHU-OALUTQOASA-N 0 0 308.506 6.029 40 30 DKEBRN Cc1ccc(/N=C\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000104338981 256579402 /nfs/dbraw/zinc/57/94/02/256579402.db2.gz PBHQLTLKJIJGFY-BETBSNSTSA-N 0 0 312.416 5.827 40 30 DKEBRN Cc1ccc(/N=C(/C=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000104338988 563564336 /nfs/dbraw/zinc/56/43/36/563564336.db2.gz PBHQLTLKJIJGFY-PWLATROYSA-N 0 0 312.416 5.827 40 30 DKEBRN Cc1ccc(/N=C/C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000104338991 563564323 /nfs/dbraw/zinc/56/43/23/563564323.db2.gz PBHQLTLKJIJGFY-NGAXQJCKSA-N 0 0 312.416 5.827 40 30 DKEBRN CCCCCCCCCCCCSCCc1ccccc1 ZINC000104341200 563564367 /nfs/dbraw/zinc/56/43/67/563564367.db2.gz GJHDCHJLVLQEFS-UHFFFAOYSA-N 0 0 306.559 6.883 40 30 DKEBRN CCCCCCCCCCCCCCCCCCN[N+](=O)[O-] ZINC000104351811 563564515 /nfs/dbraw/zinc/56/45/15/563564515.db2.gz OFXUBSSRRYTACR-UHFFFAOYSA-N 0 0 314.514 6.029 40 30 DKEBRN C(=N\c1ccc2c(c1)Cc1ccccc1-2)\c1c[nH]c2ccccc12 ZINC000104368671 256579881 /nfs/dbraw/zinc/57/98/81/256579881.db2.gz JFRKKVKCXVVYCD-QRVIBDJDSA-N 0 0 308.384 5.490 40 30 DKEBRN C(=N/c1ccc2c(c1)Cc1ccccc1-2)\c1c[nH]c2ccccc12 ZINC000104368677 563564447 /nfs/dbraw/zinc/56/44/47/563564447.db2.gz JFRKKVKCXVVYCD-YDZHTSKRSA-N 0 0 308.384 5.490 40 30 DKEBRN O=C1c2ccccc2-c2ccc(/N=C\c3c[nH]c4ccccc34)cc21 ZINC000104368683 563564373 /nfs/dbraw/zinc/56/43/73/563564373.db2.gz QAQSLIWXDWRUIQ-FMCGGJTJSA-N 0 0 322.367 5.130 40 30 DKEBRN O=C1c2ccccc2-c2ccc(/N=C/c3c[nH]c4ccccc34)cc21 ZINC000104368688 563564431 /nfs/dbraw/zinc/56/44/31/563564431.db2.gz QAQSLIWXDWRUIQ-FSJBWODESA-N 0 0 322.367 5.130 40 30 DKEBRN Cl/C(=N/c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000104369495 563564325 /nfs/dbraw/zinc/56/43/25/563564325.db2.gz SZSIRXZHFLKUBD-VZCXRCSSSA-N 0 0 306.796 5.751 40 30 DKEBRN CCCCCCCCCCC[C@@H]1OC[C@H](c2ccccc2)O1 ZINC000104370743 563564405 /nfs/dbraw/zinc/56/44/05/563564405.db2.gz RIHARQBWDVMKGH-WOJBJXKFSA-N 0 0 304.474 6.022 40 30 DKEBRN CCCCCCCCCCC[C@H]1OC[C@H](c2ccccc2)O1 ZINC000104370744 563564375 /nfs/dbraw/zinc/56/43/75/563564375.db2.gz RIHARQBWDVMKGH-UXHICEINSA-N 0 0 304.474 6.022 40 30 DKEBRN CCCCCCCCCCC[C@@H]1OC[C@@H](c2ccccc2)O1 ZINC000104370746 563564428 /nfs/dbraw/zinc/56/44/28/563564428.db2.gz RIHARQBWDVMKGH-VQTJNVASSA-N 0 0 304.474 6.022 40 30 DKEBRN CCCCCCCCCCC[C@H]1OC[C@@H](c2ccccc2)O1 ZINC000104370747 563564227 /nfs/dbraw/zinc/56/42/27/563564227.db2.gz RIHARQBWDVMKGH-PMACEKPBSA-N 0 0 304.474 6.022 40 30 DKEBRN Cc1ccc(C(C)C)c(O)c1/N=C/c1c(O)ccc2ccccc21 ZINC000104372149 563564357 /nfs/dbraw/zinc/56/43/57/563564357.db2.gz VYPINFIJXBLHRG-WSDLNYQXSA-N 0 0 319.404 5.433 40 30 DKEBRN C=CCOC(=O)CCCCCCC/C=C/CCCCCCCC ZINC000104372925 563564449 /nfs/dbraw/zinc/56/44/49/563564449.db2.gz SOAVQBSGNVIIEI-VAWYXSNFSA-N 0 0 322.533 6.753 40 30 DKEBRN CS/C(=N/c1ccc(Cl)cc1)N1CC=Cc2ccccc21 ZINC000104374126 256579969 /nfs/dbraw/zinc/57/99/69/256579969.db2.gz VAFBNSGITFIHRB-HTXNQAPBSA-N 0 0 314.841 5.224 40 30 DKEBRN CCCCCCCCCCCCN=Nc1ccc([N+](=O)[O-])cn1 ZINC000104374528 563564387 /nfs/dbraw/zinc/56/43/87/563564387.db2.gz PROSJHYTCIDTIH-RGEXLXHISA-N 0 0 320.437 5.308 40 30 DKEBRN CC(Cc1ccccc1/C(=N\O)c1ccccc1)=C(Cl)Cl ZINC000104375958 563564380 /nfs/dbraw/zinc/56/43/80/563564380.db2.gz RHFSVMJSUCQSNH-SILNSSARSA-N 0 0 320.219 5.165 40 30 DKEBRN CCCCCCCCCCCCCC[C@@H](CO)OC(C)=O ZINC000104377873 563564369 /nfs/dbraw/zinc/56/43/69/563564369.db2.gz IYTQESUFNCOUHA-SFHVURJKSA-N 0 0 300.483 5.002 40 30 DKEBRN CCCCCCCCCCCCCC[C@H](CO)OC(C)=O ZINC000104377877 563564245 /nfs/dbraw/zinc/56/42/45/563564245.db2.gz IYTQESUFNCOUHA-GOSISDBHSA-N 0 0 300.483 5.002 40 30 DKEBRN CCC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C)cc1 ZINC000104957632 563564882 /nfs/dbraw/zinc/56/48/82/563564882.db2.gz HZMGSLGTEKJQAG-WBRURFBUSA-N 0 0 323.425 5.524 40 30 DKEBRN CC(=CC(=O)c1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000105427756 563924623 /nfs/dbraw/zinc/92/46/23/563924623.db2.gz QMLSVFHPBCJKPU-PKNBQFBNSA-N 0 0 323.289 5.043 40 30 DKEBRN CCCCCCCCOc1ccc(Br)cc1C=O ZINC000105710839 256581696 /nfs/dbraw/zinc/58/16/96/256581696.db2.gz HQXAHYUQUNEZNE-UHFFFAOYSA-N 0 0 313.235 5.001 40 30 DKEBRN CCCCCCCCOc1c(Cl)cc(CO)cc1Cl ZINC000106114177 563924567 /nfs/dbraw/zinc/92/45/67/563924567.db2.gz UEKMXSZRYFFGPH-UHFFFAOYSA-N 0 0 305.245 5.225 40 30 DKEBRN C=C(C)CSc1nc(C)c(CCCCCCCC)c(=O)[nH]1 ZINC000106190986 257218671 /nfs/dbraw/zinc/21/86/71/257218671.db2.gz IVJPHOZRLVZALI-UHFFFAOYSA-N 0 0 308.491 5.062 40 30 DKEBRN O=C1CCCCCC1=CNc1ccc(Nc2ccccc2)cc1 ZINC000106561937 563924596 /nfs/dbraw/zinc/92/45/96/563924596.db2.gz NNGMUISKDWPJPA-FOCLMDBBSA-N 0 0 306.409 5.259 40 30 DKEBRN O=C(C=CNc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000106586179 194233478 /nfs/dbraw/zinc/23/34/78/194233478.db2.gz PRPXRENHSPDSMX-VAWYXSNFSA-N 0 0 307.780 5.302 40 30 DKEBRN Cc1ccc(C)c(/N=C\c2cc(F)c(N3CCCC3)cc2C)c1 ZINC000107743789 563924611 /nfs/dbraw/zinc/92/46/11/563924611.db2.gz FSXXYIIYRQQLLA-XKZIYDEJSA-N 0 0 310.416 5.102 40 30 DKEBRN c1cc(C23CC4CC(CC(C4)C2)C3)ccc1N=C1CCCCC1 ZINC000107771004 563924622 /nfs/dbraw/zinc/92/46/22/563924622.db2.gz YMOYXQFPLMEAKV-UHFFFAOYSA-N 0 0 307.481 6.191 40 30 DKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(C)c1O ZINC000108051479 563924603 /nfs/dbraw/zinc/92/46/03/563924603.db2.gz RIJGUPZNQYFFDZ-HYARGMPZSA-N 0 0 301.389 5.427 40 30 DKEBRN Cc1ccc(/N=C\c2cc(F)c(N3CCCC3)cc2C)c(C)c1 ZINC000108107177 563924598 /nfs/dbraw/zinc/92/45/98/563924598.db2.gz DHQKAFVHFYZVOS-XKZIYDEJSA-N 0 0 310.416 5.102 40 30 DKEBRN O=C(/C(=C(\Cl)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000108144288 563924570 /nfs/dbraw/zinc/92/45/70/563924570.db2.gz XJFMUOQVYZEAPM-VXPUYCOJSA-N 0 0 318.803 5.677 40 30 DKEBRN C/C(=N\c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000108261531 563924697 /nfs/dbraw/zinc/92/46/97/563924697.db2.gz CXAQXYGJICEJGQ-HZHRSRAPSA-N 0 0 309.497 6.293 40 30 DKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccccc1Cl ZINC000108363203 563924580 /nfs/dbraw/zinc/92/45/80/563924580.db2.gz NCHQENQDPWKWGS-MTJSOVHGSA-N 0 0 316.807 5.138 40 30 DKEBRN CCCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1 ZINC000108384430 563641684 /nfs/dbraw/zinc/64/16/84/563641684.db2.gz YVEDFCADLFFKDY-SFHVURJKSA-N 0 0 303.490 5.785 40 30 DKEBRN CCCCCCCCCCCC(=O)N[C@H](C)c1ccccc1 ZINC000108384433 563641848 /nfs/dbraw/zinc/64/18/48/563641848.db2.gz YVEDFCADLFFKDY-GOSISDBHSA-N 0 0 303.490 5.785 40 30 DKEBRN Cc1cc(/C=N\c2ccc(C)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000108705287 563924646 /nfs/dbraw/zinc/92/46/46/563924646.db2.gz RKDVFRKMSHUQMX-UCQKPKSFSA-N 0 0 316.448 5.770 40 30 DKEBRN CCCCCCCCOc1c(Cl)cc(/C=N\O)cc1Cl ZINC000109139155 563924543 /nfs/dbraw/zinc/92/45/43/563924543.db2.gz XNRZUYIXTSOWAI-WQRHYEAKSA-N 0 0 318.244 5.541 40 30 DKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(Cl)cc1 ZINC000109827674 563924690 /nfs/dbraw/zinc/92/46/90/563924690.db2.gz ARPBUIWVNIRPID-MTJSOVHGSA-N 0 0 316.807 5.138 40 30 DKEBRN CCCCCCCOc1ccc(Br)cc1C(C)=O ZINC000110450087 563325785 /nfs/dbraw/zinc/32/57/85/563325785.db2.gz WTLRCZYLEFNBLJ-UHFFFAOYSA-N 0 0 313.235 5.001 40 30 DKEBRN CCCCC/C=C/CCCC(=O)CCCCCCCCCC ZINC000111401851 563878278 /nfs/dbraw/zinc/87/82/78/563878278.db2.gz YLNMHCDVFVPONQ-ACCUITESSA-N 0 0 308.550 7.393 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000111458912 563650149 /nfs/dbraw/zinc/65/01/49/563650149.db2.gz CQABYYHPWRSVEC-UCQKPKSFSA-N 0 0 316.448 5.770 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21CS1 ZINC000118918398 563676013 /nfs/dbraw/zinc/67/60/13/563676013.db2.gz JFDOJKGTOKPEKW-HLXURNFRSA-N 0 0 316.510 5.004 40 30 DKEBRN CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924968 256585893 /nfs/dbraw/zinc/58/58/93/256585893.db2.gz PQGMAKFMGGZKBA-FHZOWUJFSA-N 0 0 300.486 5.545 40 30 DKEBRN CC(=O)C1=CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924973 563676455 /nfs/dbraw/zinc/67/64/55/563676455.db2.gz PQGMAKFMGGZKBA-RRPFGEQOSA-N 0 0 300.486 5.545 40 30 DKEBRN C=CCO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 ZINC000118925353 563676514 /nfs/dbraw/zinc/67/65/14/563676514.db2.gz JZBZILTUIHGIMB-GUCLMQHLSA-N 0 0 314.513 5.911 40 30 DKEBRN C=CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 ZINC000118925354 563676497 /nfs/dbraw/zinc/67/64/97/563676497.db2.gz JZBZILTUIHGIMB-WLNPFYQQSA-N 0 0 314.513 5.911 40 30 DKEBRN C=C/C=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118926445 563676428 /nfs/dbraw/zinc/67/64/28/563676428.db2.gz YDAROTPQYHWCPB-OWZZRYGSSA-N 0 0 310.481 5.631 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](S)CC[C@@]43C)[C@@H]1CC[C@@H]2S ZINC000118929625 194942506 /nfs/dbraw/zinc/94/25/06/194942506.db2.gz YIQVBLCKTUNEGW-YSZCXEEOSA-N 0 0 324.599 5.626 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](S)CC[C@@]43C)[C@@H]1CC[C@@H]2S ZINC000118929627 563594014 /nfs/dbraw/zinc/59/40/14/563594014.db2.gz YIQVBLCKTUNEGW-KHOSGYARSA-N 0 0 324.599 5.626 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](S)CC[C@@]43C)[C@@H]1CC[C@@H]2S ZINC000118929628 563594054 /nfs/dbraw/zinc/59/40/54/563594054.db2.gz YIQVBLCKTUNEGW-GCXXXECGSA-N 0 0 324.599 5.626 40 30 DKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC(C=O)=C2O ZINC000118930953 256585424 /nfs/dbraw/zinc/58/54/24/256585424.db2.gz QDATXTHLLOKPTJ-ORCBBESYSA-N 0 0 302.458 5.040 40 30 DKEBRN C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935732 194942437 /nfs/dbraw/zinc/94/24/37/194942437.db2.gz WCOUYCPNIMTPFX-URNIPBEBSA-N 0 0 300.486 5.112 40 30 DKEBRN C=C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935733 563689760 /nfs/dbraw/zinc/68/97/60/563689760.db2.gz WCOUYCPNIMTPFX-GCOKGBOCSA-N 0 0 300.486 5.112 40 30 DKEBRN C=C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935734 563689080 /nfs/dbraw/zinc/68/90/80/563689080.db2.gz WCOUYCPNIMTPFX-TVWVXWENSA-N 0 0 300.486 5.112 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 ZINC000137591545 563719985 /nfs/dbraw/zinc/71/99/85/563719985.db2.gz WTUFCZMWHMYRRR-OQKWZONESA-N 0 0 306.453 5.380 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000137639903 563924591 /nfs/dbraw/zinc/92/45/91/563924591.db2.gz BIAAOAZNOKLGHY-KGENOOAVSA-N 0 0 312.844 5.389 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000137727475 563924629 /nfs/dbraw/zinc/92/46/29/563924629.db2.gz APXKIPPAYFJULX-ZGXHQARYSA-N 0 0 316.788 5.512 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000137727564 563924588 /nfs/dbraw/zinc/92/45/88/563924588.db2.gz APXKIPPAYFJULX-MKFNJMOCSA-N 0 0 316.788 5.512 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(F)c2)c1C ZINC000140386648 563924612 /nfs/dbraw/zinc/92/46/12/563924612.db2.gz GBBOKKSORKKKAN-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN CC(C)c1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 ZINC000145216457 563924692 /nfs/dbraw/zinc/92/46/92/563924692.db2.gz AJYCBHWNBSRIBS-CJLVFECKSA-N 0 0 306.453 5.551 40 30 DKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 ZINC000164221792 563924595 /nfs/dbraw/zinc/92/45/95/563924595.db2.gz PSJRIAIVCRXSNZ-PXLXIMEGSA-N 0 0 318.420 5.243 40 30 DKEBRN C(=N/c1cccc2ccccc21)\c1ccc(N2CCCCC2)cc1 ZINC000165769282 563924635 /nfs/dbraw/zinc/92/46/35/563924635.db2.gz YUGVAQSNPQXJJG-HAVVHWLPSA-N 0 0 314.432 5.581 40 30 DKEBRN O=C1c2ccccc2C/C1=C\c1c2ccccc2cc2ccccc21 ZINC000169427698 563609937 /nfs/dbraw/zinc/60/99/37/563609937.db2.gz NJILWICCZSWPPS-XDJHFCHBSA-N 0 0 320.391 5.815 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 ZINC000197478929 563924744 /nfs/dbraw/zinc/92/47/44/563924744.db2.gz RCRJXQFMOOBJTJ-FIOICXDGSA-N 0 0 306.453 5.551 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 ZINC000197478939 563924722 /nfs/dbraw/zinc/92/47/22/563924722.db2.gz RCRJXQFMOOBJTJ-JMMZKRSASA-N 0 0 306.453 5.551 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1 ZINC000197550403 563924710 /nfs/dbraw/zinc/92/47/10/563924710.db2.gz JRYBWTKTWRADLL-PTGBLXJZSA-N 0 0 320.480 5.770 40 30 DKEBRN Cc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000198075776 563681176 /nfs/dbraw/zinc/68/11/76/563681176.db2.gz OLYGNEMSLNUOII-CAUNFOBBSA-N 0 0 306.453 5.468 40 30 DKEBRN Cc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000198075782 563681049 /nfs/dbraw/zinc/68/10/49/563681049.db2.gz OLYGNEMSLNUOII-SITPEIFSSA-N 0 0 306.453 5.468 40 30 DKEBRN COc1ccccc1/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C ZINC000198075859 563681142 /nfs/dbraw/zinc/68/11/42/563681142.db2.gz OADJKCSSAMVMIT-QQHUYRGFSA-N 0 0 322.452 5.168 40 30 DKEBRN COc1ccccc1/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C ZINC000198075866 563681095 /nfs/dbraw/zinc/68/10/95/563681095.db2.gz OADJKCSSAMVMIT-WXUSHSQQSA-N 0 0 322.452 5.168 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@H](C)CC(C)(C)N2C ZINC000198077034 201423492 /nfs/dbraw/zinc/42/34/92/201423492.db2.gz TWRQZJBIAVRBOH-IKMPRTQCSA-N 0 0 322.452 5.173 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccc(O)cc1)[C@@H](C)CC(C)(C)N2C ZINC000198077040 563681033 /nfs/dbraw/zinc/68/10/33/563681033.db2.gz TWRQZJBIAVRBOH-NSMHLIOHSA-N 0 0 322.452 5.173 40 30 DKEBRN Cc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 ZINC000198077065 563681183 /nfs/dbraw/zinc/68/11/83/563681183.db2.gz GSNPJXPRDCAHJM-QIWJOQEQSA-N 0 0 320.480 5.776 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)[C@H](C)CC(C)(C)N2C ZINC000198077731 563681043 /nfs/dbraw/zinc/68/10/43/563681043.db2.gz KUVXQOZEYFUWCE-CAUNFOBBSA-N 0 0 306.453 5.468 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)[C@@H](C)CC(C)(C)N2C ZINC000198077737 563681089 /nfs/dbraw/zinc/68/10/89/563681089.db2.gz KUVXQOZEYFUWCE-SITPEIFSSA-N 0 0 306.453 5.468 40 30 DKEBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)cc3)cc21 ZINC000198077846 563681196 /nfs/dbraw/zinc/68/11/96/563681196.db2.gz GGQOJKPTIQWJAP-CYGNYLSHSA-N 0 0 310.416 5.298 40 30 DKEBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/c3ccc(F)cc3)cc21 ZINC000198077855 563681126 /nfs/dbraw/zinc/68/11/26/563681126.db2.gz GGQOJKPTIQWJAP-KOUDTOEKSA-N 0 0 310.416 5.298 40 30 DKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000198078351 563681199 /nfs/dbraw/zinc/68/11/99/563681199.db2.gz HDLKSJQJOALBIM-LGVXEURYSA-N 0 0 320.480 5.722 40 30 DKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000198078358 563681085 /nfs/dbraw/zinc/68/10/85/563681085.db2.gz HDLKSJQJOALBIM-PFRBSUFTSA-N 0 0 320.480 5.722 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@H](C)CC(C)(C)N2C ZINC000198079409 563681499 /nfs/dbraw/zinc/68/14/99/563681499.db2.gz ZMENXODKZTUMJZ-LJGKHRNASA-N 0 0 324.443 5.607 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C ZINC000198079415 563681509 /nfs/dbraw/zinc/68/15/09/563681509.db2.gz ZMENXODKZTUMJZ-LUILSVGHSA-N 0 0 324.443 5.607 40 30 DKEBRN CCN1c2ccc(/C=N/c3ccc(C)cc3)cc2[C@H](C)CC1(C)C ZINC000198097637 568414740 /nfs/dbraw/zinc/41/47/40/568414740.db2.gz GNORABKHQWREDM-HAFIMRKLSA-N 0 0 320.480 5.858 40 30 DKEBRN COc1ccccc1/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000198144865 201425192 /nfs/dbraw/zinc/42/51/92/201425192.db2.gz SAFCMCBRURIJJQ-HYARGMPZSA-N 0 0 320.436 5.078 40 30 DKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)C(C)=CC(C)(C)N2C ZINC000198149409 201425050 /nfs/dbraw/zinc/42/50/50/201425050.db2.gz AMXYKOKGEUPEPE-HYARGMPZSA-N 0 0 304.437 5.377 40 30 DKEBRN CCCCCCCCCCCCC[C@H](NN)c1ccccc1 ZINC000199538138 563914340 /nfs/dbraw/zinc/91/43/40/563914340.db2.gz CQHOWHZTXISGDV-FQEVSTJZSA-N 0 0 304.522 5.892 40 30 DKEBRN CCCCCCCCCCCCC[C@@H](NN)c1ccccc1 ZINC000199538157 563914433 /nfs/dbraw/zinc/91/44/33/563914433.db2.gz CQHOWHZTXISGDV-HXUWFJFHSA-N 0 0 304.522 5.892 40 30 DKEBRN CCCc1ccc(-c2ccc(-c3ccc(C#N)c(F)c3)cc2)cc1 ZINC000205062005 563479340 /nfs/dbraw/zinc/47/93/40/563479340.db2.gz WPEZEJLXLRBUSR-UHFFFAOYSA-N 0 0 315.391 5.984 40 30 DKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccccc1)[C@H](C)CC(C)(C)N2C ZINC000208215124 563700351 /nfs/dbraw/zinc/70/03/51/563700351.db2.gz OYRBEBMWGMWYPS-CAUNFOBBSA-N 0 0 321.468 5.163 40 30 DKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccccc1)[C@@H](C)CC(C)(C)N2C ZINC000208215167 563700357 /nfs/dbraw/zinc/70/03/57/563700357.db2.gz OYRBEBMWGMWYPS-SITPEIFSSA-N 0 0 321.468 5.163 40 30 DKEBRN N#Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000216849243 563941415 /nfs/dbraw/zinc/94/14/15/563941415.db2.gz LXQBLIFHPLNQES-UHFFFAOYSA-N 0 0 312.583 5.097 40 30 DKEBRN N#Cc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000216849321 201499368 /nfs/dbraw/zinc/49/93/68/201499368.db2.gz HICRZQXIILABOM-UHFFFAOYSA-N 0 0 312.583 5.097 40 30 DKEBRN C=C(C)COc1cccc(C(=O)Nc2c(CC)cccc2CC)c1 ZINC000219781450 563868987 /nfs/dbraw/zinc/86/89/87/563868987.db2.gz CEQHHGBVNWJZTO-UHFFFAOYSA-N 0 0 323.436 5.019 40 30 DKEBRN C=C(C)COc1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 ZINC000219782283 201564013 /nfs/dbraw/zinc/56/40/13/201564013.db2.gz UGFTUSLETCIMTG-UHFFFAOYSA-N 0 0 323.436 5.326 40 30 DKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(CCCC)cc2)c1 ZINC000219782754 563869178 /nfs/dbraw/zinc/86/91/78/563869178.db2.gz YGQIZEPESNRNJW-UHFFFAOYSA-N 0 0 323.436 5.236 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000219796239 563868981 /nfs/dbraw/zinc/86/89/81/563868981.db2.gz RUSZFSNKZRNTBO-UHFFFAOYSA-N 0 0 311.450 5.340 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000219796858 563868992 /nfs/dbraw/zinc/86/89/92/563868992.db2.gz PJDVRPWXOYHYEP-UHFFFAOYSA-N 0 0 319.429 5.370 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(Cl)cc1C ZINC000219800623 201563483 /nfs/dbraw/zinc/56/34/83/201563483.db2.gz NKBWSFBLWRVJJL-UHFFFAOYSA-N 0 0 317.841 5.179 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1C ZINC000219800721 563869189 /nfs/dbraw/zinc/86/91/89/563869189.db2.gz DTKOGPYPQNYJPH-UHFFFAOYSA-N 0 0 317.841 5.179 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1cccc(Cl)c1C ZINC000219800817 563869552 /nfs/dbraw/zinc/86/95/52/563869552.db2.gz DFXJQBMKCAOGQB-UHFFFAOYSA-N 0 0 317.841 5.179 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000219800910 563869012 /nfs/dbraw/zinc/86/90/12/563869012.db2.gz SJCQCFFGTSQQEF-UHFFFAOYSA-N 0 0 317.841 5.179 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000219803268 563869120 /nfs/dbraw/zinc/86/91/20/563869120.db2.gz NVFPTKOQXAVVPL-UHFFFAOYSA-N 0 0 321.804 5.010 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000219804822 201563536 /nfs/dbraw/zinc/56/35/36/201563536.db2.gz XZTFNGGYZODZTB-UHFFFAOYSA-N 0 0 311.450 5.142 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1C(C)C ZINC000219805267 563869176 /nfs/dbraw/zinc/86/91/76/563869176.db2.gz YAHFTLSDBPFAQN-UHFFFAOYSA-N 0 0 311.450 5.340 40 30 DKEBRN C=CCSc1ccccc1C(=O)Nc1c(C)cccc1CC ZINC000219805363 563869144 /nfs/dbraw/zinc/86/91/44/563869144.db2.gz JNHYRRMPEZJRFJ-UHFFFAOYSA-N 0 0 311.450 5.088 40 30 DKEBRN N#Cc1c(/N=C/c2ccco2)oc(-c2ccco2)c1-c1ccco1 ZINC000222035955 563878529 /nfs/dbraw/zinc/87/85/29/563878529.db2.gz GCTKZDDKDNHCRW-RGVLZGJSSA-N 0 0 318.288 5.015 40 30 DKEBRN COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000223470061 563734229 /nfs/dbraw/zinc/73/42/29/563734229.db2.gz PNDBRUMFVAQJCL-HMAPJEAMSA-N 0 0 320.436 5.078 40 30 DKEBRN CC1=CC(C)(C)N(C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223472028 201647062 /nfs/dbraw/zinc/64/70/62/201647062.db2.gz FLYCMJDBBTZJEW-XKZIYDEJSA-N 0 0 324.855 5.722 40 30 DKEBRN CCN1c2ccc(/C=N\c3ccccc3O)cc2C(C)=CC1(C)C ZINC000223473958 563733939 /nfs/dbraw/zinc/73/39/39/563733939.db2.gz HLNFXAXIVXTECM-HMAPJEAMSA-N 0 0 320.436 5.165 40 30 DKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccccc3)cc21 ZINC000223474225 563734193 /nfs/dbraw/zinc/73/41/93/563734193.db2.gz WVCZJVCCEWIFDR-HZHRSRAPSA-N 0 0 318.464 5.848 40 30 DKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)C(C)=CC(C)(C)N2C ZINC000223498033 563734501 /nfs/dbraw/zinc/73/45/01/563734501.db2.gz BSYLDSFRIKZPPL-XKZIYDEJSA-N 0 0 320.436 5.083 40 30 DKEBRN COc1ccc(/N=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000223523901 201648054 /nfs/dbraw/zinc/64/80/54/201648054.db2.gz OMXBJQBYWGXKGU-HSMAQGNYSA-N 0 0 322.452 5.168 40 30 DKEBRN COc1ccc(/N=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000223523949 563734508 /nfs/dbraw/zinc/73/45/08/563734508.db2.gz OMXBJQBYWGXKGU-YZLQOSHFSA-N 0 0 322.452 5.168 40 30 DKEBRN CCN1c2ccc(C=[NH+][N-]c3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223527076 563734484 /nfs/dbraw/zinc/73/44/84/563734484.db2.gz TZXIJQPQCQSGBT-PZBNQXIHSA-N 0 0 321.468 5.245 40 30 DKEBRN CCN1c2ccc(/C=N\c3ccccc3O)cc2[C@@H](C)CC1(C)C ZINC000223540414 563734567 /nfs/dbraw/zinc/73/45/67/563734567.db2.gz LILAJWBGWZUDEG-HSMAQGNYSA-N 0 0 322.452 5.255 40 30 DKEBRN CC(C)N1c2ccc(/C=N/c3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223541231 563734622 /nfs/dbraw/zinc/73/46/22/563734622.db2.gz MQYPLSHCHUGFNJ-BDFKGGEMSA-N 0 0 320.480 5.938 40 30 DKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)[C@@H](C)CC(C)(C)N2C ZINC000223571705 563734464 /nfs/dbraw/zinc/73/44/64/563734464.db2.gz GIWPYLNLFREODB-PXNCGERRSA-N 0 0 322.452 5.173 40 30 DKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)[C@H](C)CC(C)(C)N2C ZINC000223571762 518187957 /nfs/dbraw/zinc/18/79/57/518187957.db2.gz GIWPYLNLFREODB-VUZLNAKASA-N 0 0 322.452 5.173 40 30 DKEBRN N#Cc1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 ZINC000225498145 563928844 /nfs/dbraw/zinc/92/88/44/563928844.db2.gz SAGZGENHBDYWQS-UHFFFAOYSA-N 0 0 317.417 5.035 40 30 DKEBRN N#Cc1cc(N)ccc1Nc1ccccc1Sc1ccccc1 ZINC000225498691 563928732 /nfs/dbraw/zinc/92/87/32/563928732.db2.gz NHDNHVLVTGBFHX-UHFFFAOYSA-N 0 0 317.417 5.035 40 30 DKEBRN CC[C@@H](C)n1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C ZINC000225886742 563649134 /nfs/dbraw/zinc/64/91/34/563649134.db2.gz YPKRGBIGBLFJQO-CQSZACIVSA-N 0 0 311.429 5.137 40 30 DKEBRN CC[C@H](C)n1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C ZINC000225886754 563649132 /nfs/dbraw/zinc/64/91/32/563649132.db2.gz YPKRGBIGBLFJQO-AWEZNQCLSA-N 0 0 311.429 5.137 40 30 DKEBRN Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1C1CCCC1 ZINC000225886786 201759803 /nfs/dbraw/zinc/75/98/03/201759803.db2.gz DTGRQWFVOXJGPJ-UHFFFAOYSA-N 0 0 323.440 5.281 40 30 DKEBRN C=CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 ZINC000225942032 563604473 /nfs/dbraw/zinc/60/44/73/563604473.db2.gz DPHGQNPTNCWBOL-UHFFFAOYSA-N 0 0 311.425 5.168 40 30 DKEBRN C=CCOc1ccc(NC(=O)C2(C)CCCCC2)c2ccccc12 ZINC000225945940 201761621 /nfs/dbraw/zinc/76/16/21/201761621.db2.gz UCODKVBEFFLYDA-UHFFFAOYSA-N 0 0 323.436 5.314 40 30 DKEBRN N#Cc1ccc(CC2CCCCC2)n1Cc1ccc(Cl)cc1 ZINC000226024410 563767528 /nfs/dbraw/zinc/76/75/28/563767528.db2.gz ZJXUYRREMKUSAE-UHFFFAOYSA-N 0 0 312.844 5.184 40 30 DKEBRN C=CCC1C[C@H]2[C@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)CC1=O ZINC000242547859 563583752 /nfs/dbraw/zinc/58/37/52/563583752.db2.gz KWSVAQRMAWYJRC-FOLJNWBTSA-N 0 0 300.486 6.027 40 30 DKEBRN C=CCC1C[C@@H]2[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC[C@H]2CC1=O ZINC000242547860 202474429 /nfs/dbraw/zinc/47/44/29/202474429.db2.gz KWSVAQRMAWYJRC-FXALTLAESA-N 0 0 300.486 6.027 40 30 DKEBRN C=C[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000245204379 563925686 /nfs/dbraw/zinc/92/56/86/563925686.db2.gz ALFLDQIYGBNZCO-OJHJNGDYSA-N 0 0 304.424 6.231 40 30 DKEBRN Oc1ccc2ccccc2c1C=Nc1ccc(C(F)(F)F)cc1 ZINC000245239551 256606148 /nfs/dbraw/zinc/60/61/48/256606148.db2.gz KIRVADGRJHVVSY-UHFFFAOYSA-N 0 0 315.294 5.315 40 30 DKEBRN Cc1cc2sc(=NN=C3CCCc4ccccc43)[nH]c2c(C)c1 ZINC000253495872 563925813 /nfs/dbraw/zinc/92/58/13/563925813.db2.gz UEEAGCQGMFFQIH-PGMHBOJBSA-N 0 0 321.449 5.066 40 30 DKEBRN CCCCCCC[C@H]1CC[C@H](c2cc(F)c(F)c(F)c2)CC1 ZINC000253497122 563925809 /nfs/dbraw/zinc/92/58/09/563925809.db2.gz QHEALGLHEQZOBR-SHTZXODSSA-N 0 0 312.419 6.738 40 30 DKEBRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)CC#N ZINC000253497503 341456994 /nfs/dbraw/zinc/45/69/94/341456994.db2.gz JPDIISCNKYBMAY-GMKKGPAZSA-N 0 0 315.501 5.064 40 30 DKEBRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000253497504 341457010 /nfs/dbraw/zinc/45/70/10/341457010.db2.gz JPDIISCNKYBMAY-YCEXZFRFSA-N 0 0 315.501 5.064 40 30 DKEBRN Cc1ccc(Cl)cc1N=Cc1c(O)cc(C)c(Cl)c1C ZINC000254384986 341476676 /nfs/dbraw/zinc/47/66/76/341476676.db2.gz YGTORFJRNIVIIN-UHFFFAOYSA-N 0 0 308.208 5.375 40 30 DKEBRN Oc1ccc2ccccc2c1C=Nc1ccc(Cl)c(Cl)c1 ZINC000254483657 341481190 /nfs/dbraw/zinc/48/11/90/341481190.db2.gz LTRXHTNIQLGEJM-UHFFFAOYSA-N 0 0 316.187 5.603 40 30 DKEBRN C=C/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000254525446 563925967 /nfs/dbraw/zinc/92/59/67/563925967.db2.gz YDAROTPQYHWCPB-IBFRUYDCSA-N 0 0 310.481 5.631 40 30 DKEBRN C=C/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000254525454 563926036 /nfs/dbraw/zinc/92/60/36/563926036.db2.gz YDAROTPQYHWCPB-SINQXBQBSA-N 0 0 310.481 5.631 40 30 DKEBRN Fc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000254800438 563926004 /nfs/dbraw/zinc/92/60/04/563926004.db2.gz IWNBEFDVKWCBFY-UHFFFAOYSA-N 0 0 305.352 5.155 40 30 DKEBRN Cc1ccccc1N=NC(N=Nc1ccccc1)c1ccccc1 ZINC000254818177 563925955 /nfs/dbraw/zinc/92/59/55/563925955.db2.gz FOZZROKGPVLDMR-UHFFFAOYSA-N 0 0 314.392 5.553 40 30 DKEBRN c1csc(C(N=Nc2ccccc2)N=Nc2ccccc2)c1 ZINC000256014757 563926206 /nfs/dbraw/zinc/92/62/06/563926206.db2.gz YYNVZGCGVPELJN-UHFFFAOYSA-N 0 0 306.394 5.306 40 30 DKEBRN CCCCCCCc1ccc(N=Cc2ccc(OCC)cc2)cc1 ZINC000256071830 563926086 /nfs/dbraw/zinc/92/60/86/563926086.db2.gz FPODOKAXFSGBSS-UHFFFAOYSA-N 0 0 323.480 6.349 40 30 DKEBRN CCCCCc1ccc(N=Cc2ccc(OCCCC)cc2)cc1 ZINC000256072206 563926202 /nfs/dbraw/zinc/92/62/02/563926202.db2.gz HRVNADYIJXVWHM-UHFFFAOYSA-N 0 0 323.480 6.349 40 30 DKEBRN CCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 ZINC000256073434 563926211 /nfs/dbraw/zinc/92/62/11/563926211.db2.gz OAGDRAPRLSSSQT-UHFFFAOYSA-N 0 0 309.453 5.959 40 30 DKEBRN CCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1 ZINC000256081134 563924446 /nfs/dbraw/zinc/92/44/46/563924446.db2.gz YABQOLANVLHEPV-UHFFFAOYSA-N 0 0 306.409 5.268 40 30 DKEBRN CCCCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000256114892 563926112 /nfs/dbraw/zinc/92/61/12/563926112.db2.gz CDYNAVAHDOMZAZ-UHFFFAOYSA-N 0 0 306.409 5.268 40 30 DKEBRN Cc1cccc(N=NC(N=Nc2ccccc2)c2ccccc2)c1 ZINC000256124588 563926174 /nfs/dbraw/zinc/92/61/74/563926174.db2.gz TXSUIVPRHHQNTM-UHFFFAOYSA-N 0 0 314.392 5.553 40 30 DKEBRN C=C/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000257346319 331965324 /nfs/dbraw/zinc/96/53/24/331965324.db2.gz YDAROTPQYHWCPB-CLTAHHHQSA-N 0 0 310.481 5.631 40 30 DKEBRN C=C/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ZINC000257346320 331965404 /nfs/dbraw/zinc/96/54/04/331965404.db2.gz YDAROTPQYHWCPB-PQXJQPETSA-N 0 0 310.481 5.631 40 30 DKEBRN CCN1c2ccc(/C=N\c3ccccc3O)cc2[C@H](C)CC1(C)C ZINC000260567426 333129617 /nfs/dbraw/zinc/12/96/17/333129617.db2.gz LILAJWBGWZUDEG-YZLQOSHFSA-N 0 0 322.452 5.255 40 30 DKEBRN CC(C)N1c2ccc(/C=N/c3ccccc3)cc2[C@H](C)CC1(C)C ZINC000260567797 333129710 /nfs/dbraw/zinc/12/97/10/333129710.db2.gz MQYPLSHCHUGFNJ-HAFIMRKLSA-N 0 0 320.480 5.938 40 30 DKEBRN Oc1c(C=Nc2cccc(Cl)c2Cl)ccc2ccccc12 ZINC000260840570 333624052 /nfs/dbraw/zinc/62/40/52/333624052.db2.gz FHHPCHFHZLIZRU-UHFFFAOYSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(C=Nc2cc(Cl)cc(Cl)c2)ccc2ccccc12 ZINC000260840573 563926290 /nfs/dbraw/zinc/92/62/90/563926290.db2.gz FKUACTFXYUIMIV-UHFFFAOYSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(C=Nc2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000260840607 563926359 /nfs/dbraw/zinc/92/63/59/563926359.db2.gz KZBBIQYIKNGLJY-UHFFFAOYSA-N 0 0 315.294 5.315 40 30 DKEBRN CC1(C)CC(=O)C=C(Nc2ccc(N=Nc3ccccc3)cc2)C1 ZINC000260840647 563926279 /nfs/dbraw/zinc/92/62/79/563926279.db2.gz RFIVUMXMMDFGEM-UHFFFAOYSA-N 0 0 319.408 5.787 40 30 DKEBRN Oc1c(C=Nc2ccc(Cl)c(Cl)c2)ccc2ccccc12 ZINC000260840649 563926280 /nfs/dbraw/zinc/92/62/80/563926280.db2.gz RNVCOPRBUHMLTO-UHFFFAOYSA-N 0 0 316.187 5.603 40 30 DKEBRN Oc1c(C=Nc2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000260840673 563926282 /nfs/dbraw/zinc/92/62/82/563926282.db2.gz YNCALXBQJVGDSJ-UHFFFAOYSA-N 0 0 316.187 5.603 40 30 DKEBRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000330330983 336166629 /nfs/dbraw/zinc/16/66/29/336166629.db2.gz NSINYWWRAQMRQA-DLBZAZTESA-N 0 0 323.440 5.190 40 30 DKEBRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000330330984 336166598 /nfs/dbraw/zinc/16/65/98/336166598.db2.gz NSINYWWRAQMRQA-IAGOWNOFSA-N 0 0 323.440 5.190 40 30 DKEBRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000330330985 336166547 /nfs/dbraw/zinc/16/65/47/336166547.db2.gz NSINYWWRAQMRQA-IRXDYDNUSA-N 0 0 323.440 5.190 40 30 DKEBRN Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000330330986 336166503 /nfs/dbraw/zinc/16/65/03/336166503.db2.gz NSINYWWRAQMRQA-SJORKVTESA-N 0 0 323.440 5.190 40 30 DKEBRN C#Cc1c2ccccc2c(C#Cc2ccccc2)c2ccccc12 ZINC000390822887 563914684 /nfs/dbraw/zinc/91/46/84/563914684.db2.gz MNEPVMNJUAYIBD-UHFFFAOYSA-N 0 0 302.376 5.374 40 30 DKEBRN CCCCCCCCOc1c(Cl)cc(C=O)cc1OCC ZINC000408540254 257230276 /nfs/dbraw/zinc/23/02/76/257230276.db2.gz PFIJKHOWXGXHDW-UHFFFAOYSA-N 0 0 312.837 5.291 40 30 DKEBRN COc1cc(C)c(/C=N\c2cccc(Cl)c2Cl)cc1OC ZINC000408547854 257230132 /nfs/dbraw/zinc/23/01/32/257230132.db2.gz AHIKGCUAJKUKNI-OCKHKDLRSA-N 0 0 324.207 5.070 40 30 DKEBRN COc1cc(C)c(/C=N\c2ccc(Cl)cc2Cl)cc1OC ZINC000408548101 257230164 /nfs/dbraw/zinc/23/01/64/257230164.db2.gz DKIDMRAUVHDNDZ-OCKHKDLRSA-N 0 0 324.207 5.070 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 ZINC000408548359 257230148 /nfs/dbraw/zinc/23/01/48/257230148.db2.gz GWUNFCHJLTWKLK-CNRHGSOZSA-N 0 0 311.425 5.276 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 ZINC000408548360 257230457 /nfs/dbraw/zinc/23/04/57/257230457.db2.gz GWUNFCHJLTWKLK-HADWXUJASA-N 0 0 311.425 5.276 40 30 DKEBRN COc1cc(C)c(/C=N\c2ccc(C(C)(C)C)cc2)cc1OC ZINC000408548956 257230155 /nfs/dbraw/zinc/23/01/55/257230155.db2.gz OEDOMLPBRMZCOE-BKUYFWCQSA-N 0 0 311.425 5.060 40 30 DKEBRN COc1cc(C)c(/C=N\c2ccc(Cl)c(Cl)c2)cc1OC ZINC000408549427 257230416 /nfs/dbraw/zinc/23/04/16/257230416.db2.gz SPFHMAVUXFFQKJ-OCKHKDLRSA-N 0 0 324.207 5.070 40 30 DKEBRN CCCCc1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 ZINC000408549458 257230169 /nfs/dbraw/zinc/23/01/69/257230169.db2.gz TYUBONGQQFKQTF-KGENOOAVSA-N 0 0 311.425 5.105 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(F)c(F)c2)C1 ZINC000408562766 257229534 /nfs/dbraw/zinc/22/95/34/257229534.db2.gz BIQBGUKPLALRJU-XZHRJIJLSA-N 0 0 307.384 5.066 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(F)c(F)c2)C1 ZINC000408562769 257229631 /nfs/dbraw/zinc/22/96/31/257229631.db2.gz BIQBGUKPLALRJU-YLSINNKHSA-N 0 0 307.384 5.066 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(F)c(C)c2)C1 ZINC000408562776 257230005 /nfs/dbraw/zinc/23/00/05/257230005.db2.gz BUNTUUSMESVVED-OKFGHLOFSA-N 0 0 303.421 5.235 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(F)c(C)c2)C1 ZINC000408562777 257229993 /nfs/dbraw/zinc/22/99/93/257229993.db2.gz BUNTUUSMESVVED-ZQHYZAEZSA-N 0 0 303.421 5.235 40 30 DKEBRN CCCc1ccc(NC=C2C[C@@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408562779 257229710 /nfs/dbraw/zinc/22/97/10/257229710.db2.gz BZYJQTXVMMEQHK-ODECOBMASA-N 0 0 313.485 5.740 40 30 DKEBRN CCCc1ccc(NC=C2C[C@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408562780 257229684 /nfs/dbraw/zinc/22/96/84/257229684.db2.gz BZYJQTXVMMEQHK-WBWKYDSYSA-N 0 0 313.485 5.740 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(F)cc2F)C1 ZINC000408562848 257229854 /nfs/dbraw/zinc/22/98/54/257229854.db2.gz FEBWSBIGDUIUNL-XZHRJIJLSA-N 0 0 307.384 5.066 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(F)cc2F)C1 ZINC000408562850 257229635 /nfs/dbraw/zinc/22/96/35/257229635.db2.gz FEBWSBIGDUIUNL-YLSINNKHSA-N 0 0 307.384 5.066 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(C)ccc2OC)C1 ZINC000408563910 257229793 /nfs/dbraw/zinc/22/97/93/257229793.db2.gz SDHAAXASQZGIEI-MDJJKAFGSA-N 0 0 315.457 5.105 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(C)ccc2OC)C1 ZINC000408563911 257229541 /nfs/dbraw/zinc/22/95/41/257229541.db2.gz SDHAAXASQZGIEI-QJPKHSJYSA-N 0 0 315.457 5.105 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2[S-])C1 ZINC000408563965 257229784 /nfs/dbraw/zinc/22/97/84/257229784.db2.gz SYFXCLLOULZUSN-FNDVETGQSA-N 0 0 303.471 5.077 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2[S-])C1 ZINC000408563969 257229606 /nfs/dbraw/zinc/22/96/06/257229606.db2.gz SYFXCLLOULZUSN-XTZCOPOCSA-N 0 0 303.471 5.077 40 30 DKEBRN CCc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000408564140 257229922 /nfs/dbraw/zinc/22/99/22/257229922.db2.gz VAHJPLDPZCFIQN-CCEZHUSRSA-N 0 0 301.389 5.211 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(C)c2Cl)C1 ZINC000408564192 257229686 /nfs/dbraw/zinc/22/96/86/257229686.db2.gz WAHWWUXMTXUWMZ-OKFGHLOFSA-N 0 0 319.876 5.750 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(C)c2Cl)C1 ZINC000408564194 257229632 /nfs/dbraw/zinc/22/96/32/257229632.db2.gz WAHWWUXMTXUWMZ-ZQHYZAEZSA-N 0 0 319.876 5.750 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(F)c(Cl)c2)C1 ZINC000408564200 257229869 /nfs/dbraw/zinc/22/98/69/257229869.db2.gz WEBXEXQNWGWIQP-XZHRJIJLSA-N 0 0 323.839 5.580 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(F)c(Cl)c2)C1 ZINC000408564207 257229567 /nfs/dbraw/zinc/22/95/67/257229567.db2.gz WEBXEXQNWGWIQP-YLSINNKHSA-N 0 0 323.839 5.580 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2Cl)C1 ZINC000408564336 257229814 /nfs/dbraw/zinc/22/98/14/257229814.db2.gz YLUSPZXPDJFJHO-FNDVETGQSA-N 0 0 305.849 5.441 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2Cl)C1 ZINC000408564337 257229983 /nfs/dbraw/zinc/22/99/83/257229983.db2.gz YLUSPZXPDJFJHO-XTZCOPOCSA-N 0 0 305.849 5.441 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(Cl)ccc2C)C1 ZINC000408564347 257229637 /nfs/dbraw/zinc/22/96/37/257229637.db2.gz YXXJIKOWIPERJO-OKFGHLOFSA-N 0 0 319.876 5.750 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(Cl)ccc2C)C1 ZINC000408564348 257229827 /nfs/dbraw/zinc/22/98/27/257229827.db2.gz YXXJIKOWIPERJO-ZQHYZAEZSA-N 0 0 319.876 5.750 40 30 DKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Cl)cc2)C1 ZINC000408564376 257229780 /nfs/dbraw/zinc/22/97/80/257229780.db2.gz ZQALAMNTWRNLJV-FNDVETGQSA-N 0 0 305.849 5.441 40 30 DKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Cl)cc2)C1 ZINC000408564378 257229803 /nfs/dbraw/zinc/22/98/03/257229803.db2.gz ZQALAMNTWRNLJV-XTZCOPOCSA-N 0 0 305.849 5.441 40 30 DKEBRN Cc1ccc(COc2cccc(C=NNc3ccccc3)c2)cc1 ZINC000408567055 257229687 /nfs/dbraw/zinc/22/96/87/257229687.db2.gz KQYBJLQQVSZPOP-PXLXIMEGSA-N 0 0 316.404 5.020 40 30 DKEBRN CCCOc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 ZINC000408603541 257229406 /nfs/dbraw/zinc/22/94/06/257229406.db2.gz RQFGOHWEYPMHEZ-BKUYFWCQSA-N 0 0 324.449 5.038 40 30 DKEBRN CC(C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 ZINC000408604128 257229205 /nfs/dbraw/zinc/22/92/05/257229205.db2.gz STMVNRHLXKJFTQ-MTJSOVHGSA-N 0 0 324.449 5.036 40 30 DKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1C ZINC000408618092 257229026 /nfs/dbraw/zinc/22/90/26/257229026.db2.gz BWOAPFKPKXZVQF-BUHFOSPRSA-N 0 0 315.416 5.299 40 30 DKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000408619765 257229387 /nfs/dbraw/zinc/22/93/87/257229387.db2.gz HIOOMSXEQREEKY-MDWZMJQESA-N 0 0 319.379 5.129 40 30 DKEBRN CC(C)Oc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 ZINC000408620800 257229185 /nfs/dbraw/zinc/22/91/85/257229185.db2.gz KBAQNVMJHJFTEW-BUHFOSPRSA-N 0 0 316.400 5.523 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=C/C(=O)c1ccccc1 ZINC000408620834 257229427 /nfs/dbraw/zinc/22/94/27/257229427.db2.gz KGSBGPIAGFQVEY-BUHFOSPRSA-N 0 0 316.400 5.525 40 30 DKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000408621574 257229025 /nfs/dbraw/zinc/22/90/25/257229025.db2.gz MUNLZENKKMKEGP-OUKQBFOZSA-N 0 0 315.416 5.299 40 30 DKEBRN C=CCn1c(C)c(/C=C/C(=O)c2ccccc2)c2ccccc21 ZINC000408623132 257228590 /nfs/dbraw/zinc/22/85/90/257228590.db2.gz QXVCXYMJQANVTB-BUHFOSPRSA-N 0 0 301.389 5.032 40 30 DKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000408625744 257228644 /nfs/dbraw/zinc/22/86/44/257228644.db2.gz ZBDOPWCZRCPNIB-SDNWHVSQSA-N 0 0 315.416 5.299 40 30 DKEBRN CC(C)Oc1ccc(/C=C/C(=O)c2ccccc2)c(OC(C)C)c1 ZINC000408625833 257228389 /nfs/dbraw/zinc/22/83/89/257228389.db2.gz ZHQMNSFZPOCAGG-ACCUITESSA-N 0 0 324.420 5.157 40 30 DKEBRN C=CCn1c(C)c(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 ZINC000408691492 257228599 /nfs/dbraw/zinc/22/85/99/257228599.db2.gz AORVTSMMDMXHCH-BUHFOSPRSA-N 0 0 315.416 5.340 40 30 DKEBRN C=CCn1cc(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 ZINC000408691508 257228783 /nfs/dbraw/zinc/22/87/83/257228783.db2.gz BFKFLVAWLWPXLF-OUKQBFOZSA-N 0 0 301.389 5.032 40 30 DKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3C#N)o2)cc1 ZINC000408691792 257228787 /nfs/dbraw/zinc/22/87/87/257228787.db2.gz QEVFQWMBJBMWGT-ZRDIBKRKSA-N 0 0 313.356 5.023 40 30 DKEBRN CCn1c(C)c(/C=C/C(=O)c2ccc(C)cc2)c2ccccc21 ZINC000408691874 257228616 /nfs/dbraw/zinc/22/86/16/257228616.db2.gz VJICKVWXSBCQPQ-BUHFOSPRSA-N 0 0 303.405 5.174 40 30 DKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1 ZINC000408692549 257228589 /nfs/dbraw/zinc/22/85/89/257228589.db2.gz PAEZJCFOJMFMQZ-BUHFOSPRSA-N 0 0 315.416 5.299 40 30 DKEBRN CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 ZINC000408692842 257228594 /nfs/dbraw/zinc/22/85/94/257228594.db2.gz WRJFVQGLPYLMNY-BUHFOSPRSA-N 0 0 316.400 5.443 40 30 DKEBRN C=CCc1cc(C(=O)Nc2ccc(CCCC)cc2)ccc1OC ZINC000408703717 257228583 /nfs/dbraw/zinc/22/85/83/257228583.db2.gz XQOWJSRVRPOJFC-UHFFFAOYSA-N 0 0 323.436 5.019 40 30 DKEBRN Cc1cc(C)c(/C=N/c2sc3c(c2C#N)CCCC3)cc1C ZINC000408719281 257227934 /nfs/dbraw/zinc/22/79/34/257227934.db2.gz BNGVRQMXPZQTMK-SRZZPIQSSA-N 0 0 308.450 5.174 40 30 DKEBRN Cc1ccc(NN=Cc2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 ZINC000408719551 257227815 /nfs/dbraw/zinc/22/78/15/257227815.db2.gz NULHBDGOKRIJRR-CIAFOILYSA-N 0 0 324.811 5.663 40 30 DKEBRN Clc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408721997 257228154 /nfs/dbraw/zinc/22/81/54/257228154.db2.gz CDCFAZVEJXURTP-RGVLZGJSSA-N 0 0 324.836 5.313 40 30 DKEBRN Clc1cccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)c1 ZINC000408722095 257228087 /nfs/dbraw/zinc/22/80/87/257228087.db2.gz DJQIGMAARXIQMX-RGVLZGJSSA-N 0 0 324.836 5.313 40 30 DKEBRN Clc1ccccc1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408722471 257227603 /nfs/dbraw/zinc/22/76/03/257227603.db2.gz JFSWNVJESMTPKM-RGVLZGJSSA-N 0 0 324.836 5.313 40 30 DKEBRN CCCCCCCCCCC(=O)OC12CC3CC(CC(C3)C1)C2 ZINC000408732178 257227165 /nfs/dbraw/zinc/22/71/65/257227165.db2.gz OXFNXTSHZVGSBE-UHFFFAOYSA-N 0 0 320.517 6.029 40 30 DKEBRN CC(C)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000408732224 257227410 /nfs/dbraw/zinc/22/74/10/257227410.db2.gz POXYQVHIUGATQE-HAVVHWLPSA-N 0 0 314.432 5.982 40 30 DKEBRN Fc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408733225 257227124 /nfs/dbraw/zinc/22/71/24/257227124.db2.gz GPIHOBRYAKQQSQ-YDZHTSKRSA-N 0 0 316.379 5.097 40 30 DKEBRN Fc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000408733605 257227321 /nfs/dbraw/zinc/22/73/21/257227321.db2.gz MCAMHNVWZMNFIO-YDZHTSKRSA-N 0 0 316.379 5.097 40 30 DKEBRN Fc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408733714 257227287 /nfs/dbraw/zinc/22/72/87/257227287.db2.gz OTRQZGCQBFQHCT-YDZHTSKRSA-N 0 0 316.379 5.097 40 30 DKEBRN Fc1ccccc1/C=N/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000408733991 257227201 /nfs/dbraw/zinc/22/72/01/257227201.db2.gz ULDLOJRCARKZMC-YDZHTSKRSA-N 0 0 316.379 5.097 40 30 DKEBRN Clc1ccccc1CC=CN=Nc1nc2ccccc2s1 ZINC000408734002 257227472 /nfs/dbraw/zinc/22/74/72/257227472.db2.gz URJFFDOXXDZWRF-FJIBGIISSA-N 0 0 313.813 5.061 40 30 DKEBRN C=CCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736484 257227061 /nfs/dbraw/zinc/22/70/61/257227061.db2.gz WBAZIFLXWRGLIQ-LQWHRVPQSA-N 0 0 321.395 5.217 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc(C)cc1 ZINC000408737356 257227220 /nfs/dbraw/zinc/22/72/20/257227220.db2.gz CJSINGKMGGIHCO-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737504 257227482 /nfs/dbraw/zinc/22/74/82/257227482.db2.gz BXSQTOCMSSFWIW-CIAFOILYSA-N 0 0 324.811 5.204 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737584 257227249 /nfs/dbraw/zinc/22/72/49/257227249.db2.gz FELGLKHBLFYDAY-FSJBWODESA-N 0 0 324.374 5.431 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408737653 257227418 /nfs/dbraw/zinc/22/74/18/257227418.db2.gz FVWXKVOYOVIJHI-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737788 257227026 /nfs/dbraw/zinc/22/70/26/257227026.db2.gz GZEPHOAOOPRYRB-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccccc1 ZINC000408737841 257227062 /nfs/dbraw/zinc/22/70/62/257227062.db2.gz HZNXIRZFALAQRR-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408737886 257227478 /nfs/dbraw/zinc/22/74/78/257227478.db2.gz IVFMCJVKDQFZQC-PXLXIMEGSA-N 0 0 302.421 5.407 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccccc1 ZINC000408737940 257227113 /nfs/dbraw/zinc/22/71/13/257227113.db2.gz KVMRAMAYGGFLSL-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737949 257227089 /nfs/dbraw/zinc/22/70/89/257227089.db2.gz LKHRQZWHTBAMAT-FYJGNVAPSA-N 0 0 308.812 5.498 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737950 257227306 /nfs/dbraw/zinc/22/73/06/257227306.db2.gz LNRPINVIOIWGCG-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccccc3)c2C)c1 ZINC000408737966 257227381 /nfs/dbraw/zinc/22/73/81/257227381.db2.gz GORHBJMVOYSZIU-HYARGMPZSA-N 0 0 316.404 5.047 40 30 DKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408737980 257227198 /nfs/dbraw/zinc/22/71/98/257227198.db2.gz HAWVSUYIPFIPEV-HYARGMPZSA-N 0 0 318.420 5.162 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000408738020 257227205 /nfs/dbraw/zinc/22/72/05/257227205.db2.gz HXPOJSWMOOJBKM-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc(F)cc1 ZINC000408738021 257227242 /nfs/dbraw/zinc/22/72/42/257227242.db2.gz LVPMDFMLHVTVJF-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccccc1 ZINC000408738052 257227486 /nfs/dbraw/zinc/22/74/86/257227486.db2.gz MNGBUWRWTOQCFZ-LFVJCYFKSA-N 0 0 324.427 5.998 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccc(F)cc1 ZINC000408738106 257227403 /nfs/dbraw/zinc/22/74/03/257227403.db2.gz OENTYUIOUBBHBW-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408738133 257227455 /nfs/dbraw/zinc/22/74/55/257227455.db2.gz PKKSCHGLGRVOAQ-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccccc1 ZINC000408738150 257227110 /nfs/dbraw/zinc/22/71/10/257227110.db2.gz QUNQVQAPHJDJAV-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408738154 257227416 /nfs/dbraw/zinc/22/74/16/257227416.db2.gz QYDAFWPRZRVSRU-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1ccc(F)cc1 ZINC000408738155 257227246 /nfs/dbraw/zinc/22/72/46/257227246.db2.gz RBYXKXJFCVMHKK-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccccc1 ZINC000408738173 257227456 /nfs/dbraw/zinc/22/74/56/257227456.db2.gz RICWIIUKJUCXAK-FYJGNVAPSA-N 0 0 308.812 5.498 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738197 257227480 /nfs/dbraw/zinc/22/74/80/257227480.db2.gz RVNNKMAZJLOIJM-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000408738255 257227377 /nfs/dbraw/zinc/22/73/77/257227377.db2.gz SRXZEYQUFFEBCP-PXLXIMEGSA-N 0 0 318.420 5.243 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738269 257227194 /nfs/dbraw/zinc/22/71/94/257227194.db2.gz TVQPZIXVYXFPLA-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000408738431 257227317 /nfs/dbraw/zinc/22/73/17/257227317.db2.gz XKONQHFIVWLSOR-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1ccccc1 ZINC000408738438 257227462 /nfs/dbraw/zinc/22/74/62/257227462.db2.gz XMSZADUGSBFSQS-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408738458 257227095 /nfs/dbraw/zinc/22/70/95/257227095.db2.gz XOHLLBLVJSJAGA-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738471 257227054 /nfs/dbraw/zinc/22/70/54/257227054.db2.gz YDNPUWWCBBVQBZ-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccccc1 ZINC000408738479 257227150 /nfs/dbraw/zinc/22/71/50/257227150.db2.gz YYRYHYVGUXKLEC-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738484 257227283 /nfs/dbraw/zinc/22/72/83/257227283.db2.gz ZIBYZEYGNQDGCW-FYJGNVAPSA-N 0 0 323.827 5.194 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(C)cc1 ZINC000408738765 257227509 /nfs/dbraw/zinc/22/75/09/257227509.db2.gz NZJUDMDZAYLGLZ-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000408738830 257227215 /nfs/dbraw/zinc/22/72/15/257227215.db2.gz OXZIGDBKJNAFCR-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN COc1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000408738887 257227345 /nfs/dbraw/zinc/22/73/45/257227345.db2.gz PRCHNMJYTSUQFN-HYARGMPZSA-N 0 0 318.420 5.162 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000408738917 257227422 /nfs/dbraw/zinc/22/74/22/257227422.db2.gz PYLZZIRRIJEDIW-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccccc1 ZINC000408738924 257227099 /nfs/dbraw/zinc/22/70/99/257227099.db2.gz QBVWRZXSCYFDTD-FYJGNVAPSA-N 0 0 308.812 5.498 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408739030 257227489 /nfs/dbraw/zinc/22/74/89/257227489.db2.gz RRSPGFDUIBYNOJ-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccccc1 ZINC000408739090 257227251 /nfs/dbraw/zinc/22/72/51/257227251.db2.gz SXSPMXYAGPWXJP-HZHRSRAPSA-N 0 0 316.448 5.968 40 30 DKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000408739217 257227147 /nfs/dbraw/zinc/22/71/47/257227147.db2.gz UGWUNIFINKDCMF-HYARGMPZSA-N 0 0 318.420 5.162 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccc(C)cc1 ZINC000408739227 257227052 /nfs/dbraw/zinc/22/70/52/257227052.db2.gz UJSJQTLISJULRS-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN CCc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408739334 257227020 /nfs/dbraw/zinc/22/70/20/257227020.db2.gz BDMNHUAHTWWRGB-PXLXIMEGSA-N 0 0 308.469 5.923 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1C1CCCCC1 ZINC000408739337 257227217 /nfs/dbraw/zinc/22/72/17/257227217.db2.gz BDOQLGQFOAKSLV-HYARGMPZSA-N 0 0 308.469 5.978 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccc(C)cc1 ZINC000408739493 257227337 /nfs/dbraw/zinc/22/73/37/257227337.db2.gz WTAWCVGUILWAEV-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN COc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408739497 257227336 /nfs/dbraw/zinc/22/73/36/257227336.db2.gz CGYVDVNBDKSROJ-KGENOOAVSA-N 0 0 310.441 5.369 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408739536 257227441 /nfs/dbraw/zinc/22/74/41/257227441.db2.gz XLBGWOPUVNAWDF-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN Cc1cc(/C=N\c2ccc(F)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739590 257227508 /nfs/dbraw/zinc/22/75/08/257227508.db2.gz CURBZXWKAVIHPM-QRVIBDJDSA-N 0 0 320.411 5.601 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000408739656 257227385 /nfs/dbraw/zinc/22/73/85/257227385.db2.gz YMHHLUKOKWIUNO-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1ccc(C)cc1 ZINC000408739665 257227285 /nfs/dbraw/zinc/22/72/85/257227285.db2.gz YRNDVCBEDCXUCM-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408739721 257227233 /nfs/dbraw/zinc/22/72/33/257227233.db2.gz DXNBWYPDTSLBGB-HYARGMPZSA-N 0 0 322.452 5.563 40 30 DKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739750 257227330 /nfs/dbraw/zinc/22/73/30/257227330.db2.gz FFWWMXCOSBABBS-UCQKPKSFSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1C1CCCCC1 ZINC000408740003 257227229 /nfs/dbraw/zinc/22/72/29/257227229.db2.gz HNXOMWHRBYHASE-FYJGNVAPSA-N 0 0 314.860 6.014 40 30 DKEBRN CCOc1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 ZINC000408740122 257226757 /nfs/dbraw/zinc/22/67/57/257226757.db2.gz ILHFFNBZSCMKBK-PXLXIMEGSA-N 0 0 324.468 5.759 40 30 DKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(C3CCCCC3)c2C)c1 ZINC000408740454 257226848 /nfs/dbraw/zinc/22/68/48/257226848.db2.gz KUOSLSBUQRPTLK-HYARGMPZSA-N 0 0 322.452 5.563 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1C1CCCCC1 ZINC000408740743 257226915 /nfs/dbraw/zinc/22/69/15/257226915.db2.gz MCPDNHMSSVAANW-FYJGNVAPSA-N 0 0 314.860 6.014 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741311 257226752 /nfs/dbraw/zinc/22/67/52/257226752.db2.gz OYWJFECAJFHOFQ-HMAPJEAMSA-N 0 0 302.421 5.462 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741317 257226823 /nfs/dbraw/zinc/22/68/23/257226823.db2.gz PBTDMHWIRSEEEF-XKZIYDEJSA-N 0 0 318.420 5.167 40 30 DKEBRN Cc1cc(/C=N\c2ccc(O)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741472 257226873 /nfs/dbraw/zinc/22/68/73/257226873.db2.gz PYIBNRYFDKVFNA-XKZIYDEJSA-N 0 0 318.420 5.167 40 30 DKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1C1CCCCC1 ZINC000408741577 257226700 /nfs/dbraw/zinc/22/67/00/257226700.db2.gz QSDKMMDUKRBHMT-HYARGMPZSA-N 0 0 308.469 5.978 40 30 DKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1C1CCCCC1 ZINC000408742214 257226671 /nfs/dbraw/zinc/22/66/71/257226671.db2.gz VFGSQLHVPBCVAT-HYARGMPZSA-N 0 0 308.469 5.978 40 30 DKEBRN COc1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 ZINC000408742215 257226980 /nfs/dbraw/zinc/22/69/80/257226980.db2.gz VGFFFYVJQDTZQW-KGENOOAVSA-N 0 0 310.441 5.369 40 30 DKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1C1CCCCC1 ZINC000408742228 257226854 /nfs/dbraw/zinc/22/68/54/257226854.db2.gz VKJZLEUJIVFTGJ-PXLXIMEGSA-N 0 0 323.484 5.427 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1C1CCCCC1 ZINC000408742612 257226597 /nfs/dbraw/zinc/22/65/97/257226597.db2.gz WUBABIOGNKCAGD-HYARGMPZSA-N 0 0 308.469 5.978 40 30 DKEBRN Cc1ccc(Cl)cc1NC1=C(C(=O)C(F)(F)F)CCCC1 ZINC000408751364 257226691 /nfs/dbraw/zinc/22/66/91/257226691.db2.gz GUYGLUCDLPFEMZ-UHFFFAOYSA-N 0 0 317.738 5.020 40 30 DKEBRN Cc1ccc(Cl)c(NC2=CC(=O)C[C@@H](c3ccccc3)C2)c1 ZINC000408751531 257226637 /nfs/dbraw/zinc/22/66/37/257226637.db2.gz UVZYDGUKIURXQT-HNNXBMFYSA-N 0 0 311.812 5.091 40 30 DKEBRN Cc1ccc(Cl)c(NC2=CC(=O)C[C@H](c3ccccc3)C2)c1 ZINC000408751532 257226894 /nfs/dbraw/zinc/22/68/94/257226894.db2.gz UVZYDGUKIURXQT-OAHLLOKOSA-N 0 0 311.812 5.091 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 ZINC000408751975 257226562 /nfs/dbraw/zinc/22/65/62/257226562.db2.gz FEVRULQGGJWORF-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1cccc(C)c1 ZINC000408753053 257226936 /nfs/dbraw/zinc/22/69/36/257226936.db2.gz LBEKXCUCUASWJC-HMAPJEAMSA-N 0 0 302.421 5.462 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 ZINC000408753123 257226968 /nfs/dbraw/zinc/22/69/68/257226968.db2.gz HXHPPCIZKWJRBL-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(O)cc3)c2C)cc1 ZINC000408753142 257226962 /nfs/dbraw/zinc/22/69/62/257226962.db2.gz IBLRMHTZSOFNIL-HYARGMPZSA-N 0 0 318.420 5.113 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc(C)c3)c2C)cc1 ZINC000408753316 257226945 /nfs/dbraw/zinc/22/69/45/257226945.db2.gz LWLSDCAEWCDMID-HAHDFKILSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408754142 257226731 /nfs/dbraw/zinc/22/67/31/257226731.db2.gz DRQLKQOIJQOFAZ-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1cccc(C)c1 ZINC000408754323 257226591 /nfs/dbraw/zinc/22/65/91/257226591.db2.gz QFJMIHYOSJUCDS-XKZIYDEJSA-N 0 0 306.384 5.292 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cccc(C)c1 ZINC000408755255 257226794 /nfs/dbraw/zinc/22/67/94/257226794.db2.gz IYLFNUPPVZZPSL-FSJBWODESA-N 0 0 324.374 5.431 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 ZINC000408755421 257226511 /nfs/dbraw/zinc/22/65/11/257226511.db2.gz NNFWTRIDMWKNTC-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/Cc3ccccc3)c2C)cc1 ZINC000408755685 257226613 /nfs/dbraw/zinc/22/66/13/257226613.db2.gz LQNSBAYEWVPTIL-XQNSMLJCSA-N 0 0 316.448 5.276 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)cc1 ZINC000408755749 257226541 /nfs/dbraw/zinc/22/65/41/257226541.db2.gz PCLZNDKRGGYZQA-JCMHNJIXSA-N 0 0 308.469 5.408 40 30 DKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408756071 257226785 /nfs/dbraw/zinc/22/67/85/257226785.db2.gz XIXAORTWTRZNNI-XKZIYDEJSA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408758387 257226460 /nfs/dbraw/zinc/22/64/60/257226460.db2.gz JLDCRYVECVDIMC-FYJGNVAPSA-N 0 0 308.812 5.498 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cccc(C)c1 ZINC000408758554 257226948 /nfs/dbraw/zinc/22/69/48/257226948.db2.gz MLNWJVJSELUMNE-XKZIYDEJSA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000408759197 257226949 /nfs/dbraw/zinc/22/69/49/257226949.db2.gz ZOVIFFDYEAXPLZ-YDZHTSKRSA-N 0 0 320.411 5.601 40 30 DKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408759820 257226818 /nfs/dbraw/zinc/22/68/18/257226818.db2.gz MIGCLARAWNUPME-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1cccc(C)c1 ZINC000408759842 257226930 /nfs/dbraw/zinc/22/69/30/257226930.db2.gz MRZGXTPJJQSSFH-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000408760696 257226698 /nfs/dbraw/zinc/22/66/98/257226698.db2.gz DHSWSSOYCQTIEE-UCQKPKSFSA-N 0 0 316.448 5.770 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1cccc(C)c1 ZINC000408760788 257226458 /nfs/dbraw/zinc/22/64/58/257226458.db2.gz FZTFDFGRTCCDSM-OEAKJJBVSA-N 0 0 313.404 5.025 40 30 DKEBRN CCc1ccc(-n2c(C)cc(C=NNc3ccccc3)c2C)cc1 ZINC000408760838 257226977 /nfs/dbraw/zinc/22/69/77/257226977.db2.gz AEVXNWMCAXAPBS-PXLXIMEGSA-N 0 0 317.436 5.103 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 ZINC000408761152 257226633 /nfs/dbraw/zinc/22/66/33/257226633.db2.gz CJHATPZJJALQSF-PXLXIMEGSA-N 0 0 302.421 5.407 40 30 DKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1cccc(Cl)c1 ZINC000408761261 257226470 /nfs/dbraw/zinc/22/64/70/257226470.db2.gz DLCPCZYRZKROGU-BKUYFWCQSA-N 0 0 314.860 5.499 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408761262 257226635 /nfs/dbraw/zinc/22/66/35/257226635.db2.gz CZMOVFBMRRZIBJ-FYJGNVAPSA-N 0 0 323.827 5.194 40 30 DKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1cccc(C)c1 ZINC000408761625 257226424 /nfs/dbraw/zinc/22/64/24/257226424.db2.gz AAZWMMZPLREQNA-UCQKPKSFSA-N 0 0 316.448 5.770 40 30 DKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408762034 257226796 /nfs/dbraw/zinc/22/67/96/257226796.db2.gz CENGBYZPCGOWRE-HYARGMPZSA-N 0 0 318.420 5.162 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1cccc(C)c1 ZINC000408762199 257226970 /nfs/dbraw/zinc/22/69/70/257226970.db2.gz JQWILOUEKQJILP-HMAPJEAMSA-N 0 0 302.421 5.462 40 30 DKEBRN COc1cccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000408762963 257226514 /nfs/dbraw/zinc/22/65/14/257226514.db2.gz MEHOQSGFGFVQNZ-HYARGMPZSA-N 0 0 318.420 5.162 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc(O)c3)c2C)cc1 ZINC000408763522 257226721 /nfs/dbraw/zinc/22/67/21/257226721.db2.gz FZHKVWOBMBFDPP-HMAPJEAMSA-N 0 0 318.420 5.113 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cccc(C)c1 ZINC000408763799 257226647 /nfs/dbraw/zinc/22/66/47/257226647.db2.gz OYFNZKQINVQOHI-LPYMAVHISA-N 0 0 306.384 5.292 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)cc1 ZINC000408763814 257226952 /nfs/dbraw/zinc/22/69/52/257226952.db2.gz PATLUDUUPFVRTF-HAHDFKILSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1cccc(C)c1 ZINC000408764066 257226559 /nfs/dbraw/zinc/22/65/59/257226559.db2.gz VWWIFUBSSYNNLX-PXLXIMEGSA-N 0 0 302.421 5.022 40 30 DKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408764092 257226708 /nfs/dbraw/zinc/22/67/08/257226708.db2.gz ROTNCLOZMMABLV-MTJSOVHGSA-N 0 0 324.811 5.204 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000408764125 257226739 /nfs/dbraw/zinc/22/67/39/257226739.db2.gz LIJJHGHXCIZACS-OEAKJJBVSA-N 0 0 316.448 5.770 40 30 DKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)cc1 ZINC000408764178 257226937 /nfs/dbraw/zinc/22/69/37/257226937.db2.gz SGKRJIGJLJZTCE-UCQKPKSFSA-N 0 0 320.411 5.546 40 30 DKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1cccc(C)c1 ZINC000408764808 257226877 /nfs/dbraw/zinc/22/68/77/257226877.db2.gz SSKUYOSDXICSSX-XKZIYDEJSA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408764896 257226972 /nfs/dbraw/zinc/22/69/72/257226972.db2.gz UDCCOGPXKQYVLE-HYARGMPZSA-N 0 0 322.839 5.367 40 30 DKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408764974 257226434 /nfs/dbraw/zinc/22/64/34/257226434.db2.gz UPNFWTSEAKOSAM-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408765075 257226489 /nfs/dbraw/zinc/22/64/89/257226489.db2.gz KCAOJFSKIIRQQW-XKZIYDEJSA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000408765668 257226792 /nfs/dbraw/zinc/22/67/92/257226792.db2.gz ZHMZYJPTDFNCQS-HYARGMPZSA-N 0 0 302.421 5.462 40 30 DKEBRN COc1ccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408766083 257226461 /nfs/dbraw/zinc/22/64/61/257226461.db2.gz ZFQDANUPLILPSM-HMAPJEAMSA-N 0 0 318.420 5.162 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(F)cc1 ZINC000408767043 257226868 /nfs/dbraw/zinc/22/68/68/257226868.db2.gz HYRUEYJBHJDUDJ-UUYOSTAYSA-N 0 0 310.347 5.123 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccccc1 ZINC000408767166 257226545 /nfs/dbraw/zinc/22/65/45/257226545.db2.gz JLGYVNADLOKGHB-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000408767383 257226727 /nfs/dbraw/zinc/22/67/27/257226727.db2.gz WLFJWBOPQFEXCF-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccccc1 ZINC000408769578 257226638 /nfs/dbraw/zinc/22/66/38/257226638.db2.gz VWBBKVRZNMPZSU-WSDLNYQXSA-N 0 0 310.347 5.123 40 30 DKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2ccccc2)c1C ZINC000408771369 257226523 /nfs/dbraw/zinc/22/65/23/257226523.db2.gz GAYBDRPZGKYMMC-JCMHNJIXSA-N 0 0 318.420 5.243 40 30 DKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1C ZINC000408773392 257226940 /nfs/dbraw/zinc/22/69/40/257226940.db2.gz QBBDBZJRLQALCG-KGENOOAVSA-N 0 0 320.461 5.567 40 30 DKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408775121 257226744 /nfs/dbraw/zinc/22/67/44/257226744.db2.gz OFLIPUMPZJYBOF-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408775841 257226426 /nfs/dbraw/zinc/22/64/26/257226426.db2.gz VIXNXWQYYXZITH-HYARGMPZSA-N 0 0 316.404 5.047 40 30 DKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccccc1 ZINC000408776792 257226676 /nfs/dbraw/zinc/22/66/76/257226676.db2.gz RKTMIEDXERLZPV-JLPGSUDCSA-N 0 0 324.427 5.998 40 30 DKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccccc1 ZINC000408777271 257226816 /nfs/dbraw/zinc/22/68/16/257226816.db2.gz XRDZZPRNMXWGSN-HZHRSRAPSA-N 0 0 316.448 5.968 40 30 DKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1C ZINC000408777802 257226760 /nfs/dbraw/zinc/22/67/60/257226760.db2.gz JFBWUKZWGHHGDF-KGENOOAVSA-N 0 0 303.409 5.136 40 30 DKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccccc1 ZINC000408779688 257226414 /nfs/dbraw/zinc/22/64/14/257226414.db2.gz HVKQGAHGHHLRNQ-BKUYFWCQSA-N 0 0 308.812 5.498 40 30 DKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(F)cc1 ZINC000408782443 257226539 /nfs/dbraw/zinc/22/65/39/257226539.db2.gz IDXFUCZLSKNVNK-WSDLNYQXSA-N 0 0 310.347 5.123 40 30 DKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000408782673 257226431 /nfs/dbraw/zinc/22/64/31/257226431.db2.gz YEUYMFMCPRDZQK-BKUYFWCQSA-N 0 0 314.860 5.499 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000408782823 257226902 /nfs/dbraw/zinc/22/69/02/257226902.db2.gz ZHNUJHLEDPRDCR-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408785926 257226650 /nfs/dbraw/zinc/22/66/50/257226650.db2.gz JXLZFMGNSUCJJC-HYARGMPZSA-N 0 0 322.839 5.367 40 30 DKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccccc1 ZINC000408786074 257226900 /nfs/dbraw/zinc/22/69/00/257226900.db2.gz LEADEDGEVMKJCY-LPYMAVHISA-N 0 0 322.839 5.807 40 30 DKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccccc2)c1C ZINC000408786260 257226975 /nfs/dbraw/zinc/22/69/75/257226975.db2.gz NLHDUKFSVFRDLV-PXLXIMEGSA-N 0 0 302.421 5.407 40 30 DKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccccc1 ZINC000408787161 257226763 /nfs/dbraw/zinc/22/67/63/257226763.db2.gz SPQJYCSSNNXBAW-MTJSOVHGSA-N 0 0 324.811 5.204 40 30 DKEBRN Clc1ccc(/N=C\c2cccn2-c2ccccc2)c(Cl)c1 ZINC000408810156 257226961 /nfs/dbraw/zinc/22/69/61/257226961.db2.gz IKLBWDAYAJSGDJ-NDENLUEZSA-N 0 0 315.203 5.535 40 30 DKEBRN Clc1cccc(/N=C\c2cccn2-c2ccccc2)c1Cl ZINC000408811305 257226704 /nfs/dbraw/zinc/22/67/04/257226704.db2.gz BEDKNYJLAFCYSY-NDENLUEZSA-N 0 0 315.203 5.535 40 30 DKEBRN CCCCc1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 ZINC000408815885 257226944 /nfs/dbraw/zinc/22/69/44/257226944.db2.gz VRSLQLFDKIUHPA-JCMHNJIXSA-N 0 0 304.437 5.580 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc(C)c(C)c1C#N ZINC000408818358 257226525 /nfs/dbraw/zinc/22/65/25/257226525.db2.gz PMZUTCJDCRVZFY-DJKKODMXSA-N 0 0 318.829 5.039 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=C1\Sc2ccccc2C1=O ZINC000408821069 257226966 /nfs/dbraw/zinc/22/69/66/257226966.db2.gz BYPDEYKIRTXUCI-YBEGLDIGSA-N 0 0 316.809 5.068 40 30 DKEBRN Clc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000408822135 257226927 /nfs/dbraw/zinc/22/69/27/257226927.db2.gz LBLHKETWGGNEFT-NDENLUEZSA-N 0 0 315.203 5.535 40 30 DKEBRN COc1cc(C)c(/C=C2\Sc3ccccc3C2=O)cc1C(C)C ZINC000408843815 257225891 /nfs/dbraw/zinc/22/58/91/257225891.db2.gz AELJNPCDHIUQSQ-ODLFYWEKSA-N 0 0 324.445 5.457 40 30 DKEBRN Cc1ccc(C)c(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 ZINC000408846411 257226377 /nfs/dbraw/zinc/22/63/77/257226377.db2.gz JGRMAYVFGQKBAT-BKUYFWCQSA-N 0 0 308.812 5.498 40 30 DKEBRN CCc1ccccc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408848081 257226362 /nfs/dbraw/zinc/22/63/62/257226362.db2.gz PHTOEPBQSPPLFI-KGENOOAVSA-N 0 0 308.812 5.444 40 30 DKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\C2CCCCC2)c1C ZINC000408848137 257226018 /nfs/dbraw/zinc/22/60/18/257226018.db2.gz PNZJKGQRDZBZQN-HAHDFKILSA-N 0 0 322.496 5.717 40 30 DKEBRN CSc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 ZINC000408848970 257226348 /nfs/dbraw/zinc/22/63/48/257226348.db2.gz TWVUQUYYRHUPAZ-HKWRFOASSA-N 0 0 310.466 5.149 40 30 DKEBRN Cc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000408849354 257226097 /nfs/dbraw/zinc/22/60/97/257226097.db2.gz WGWHNMYHJJZYGT-STZFKDTASA-N 0 0 312.844 5.389 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 ZINC000408849821 257226364 /nfs/dbraw/zinc/22/63/64/257226364.db2.gz ZKDLPQWKZKRDLR-HSMAQGNYSA-N 0 0 304.437 5.751 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 ZINC000408849824 257226032 /nfs/dbraw/zinc/22/60/32/257226032.db2.gz ZKDLPQWKZKRDLR-YZLQOSHFSA-N 0 0 304.437 5.751 40 30 DKEBRN CC(C)c1ccccc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408849912 257225841 /nfs/dbraw/zinc/22/58/41/257225841.db2.gz ASQUAMCWLHJWHY-HYARGMPZSA-N 0 0 322.839 6.005 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 ZINC000408850214 257226075 /nfs/dbraw/zinc/22/60/75/257226075.db2.gz IHHPWMDLVSTVJW-CNGOPUHISA-N 0 0 320.480 5.941 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 ZINC000408850215 257225868 /nfs/dbraw/zinc/22/58/68/257225868.db2.gz IHHPWMDLVSTVJW-ZVTCDHROSA-N 0 0 320.480 5.941 40 30 DKEBRN CCCCc1ccc(/N=C\c2ccc(N3CCCC3)c(C)c2)cc1 ZINC000408850365 257225811 /nfs/dbraw/zinc/22/58/11/257225811.db2.gz MECXEPKNXJQCDM-QJOMJCCJSA-N 0 0 320.480 5.688 40 30 DKEBRN Cc1cc(/C=N\c2cccc3ccccc32)ccc1N1CCCC1 ZINC000408850969 257225882 /nfs/dbraw/zinc/22/58/82/257225882.db2.gz SPKXPMPBTLMCKH-KQWNVCNZSA-N 0 0 314.432 5.499 40 30 DKEBRN CCOc1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408851147 257226172 /nfs/dbraw/zinc/22/61/72/257226172.db2.gz VQHFYLYEIXLGOJ-STZFKDTASA-N 0 0 324.811 5.280 40 30 DKEBRN Fc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000408851511 257225817 /nfs/dbraw/zinc/22/58/17/257225817.db2.gz KVJWVVCGEUOCLS-BKUYFWCQSA-N 0 0 316.807 5.220 40 30 DKEBRN Clc1ccc(/N=C\c2cccn2-c2ccccc2)cc1Cl ZINC000408851641 257225917 /nfs/dbraw/zinc/22/59/17/257225917.db2.gz DYFBXYXWTUHOAG-NDENLUEZSA-N 0 0 315.203 5.535 40 30 DKEBRN C=CCc1cc(C=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408851679 257226150 /nfs/dbraw/zinc/22/61/50/257226150.db2.gz MHWBTEUUALLKSQ-UHFFFAOYSA-N 0 0 321.203 5.113 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccccc2)cc1 ZINC000408852013 257226173 /nfs/dbraw/zinc/22/61/73/257226173.db2.gz PLGARUCBSNNDJT-JWGURIENSA-N 0 0 302.421 5.525 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1 ZINC000408852416 257225877 /nfs/dbraw/zinc/22/58/77/257225877.db2.gz KPHRFHFHXRCRSS-XQNSMLJCSA-N 0 0 320.480 5.643 40 30 DKEBRN CCN(CC)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 ZINC000408852639 257226328 /nfs/dbraw/zinc/22/63/28/257226328.db2.gz VFZIIQIBTZNIJO-JCMHNJIXSA-N 0 0 319.452 5.084 40 30 DKEBRN C(=N/c1ccc(-c2ccccc2)cc1)\c1cccn1-c1ccccc1 ZINC000408852847 257226037 /nfs/dbraw/zinc/22/60/37/257226037.db2.gz JHRNMKQISDYZIO-HKOYGPOVSA-N 0 0 322.411 5.895 40 30 DKEBRN Cc1c(/C=N\c2ccc(-c3ccccc3)cc2)c2ccccc2n1C ZINC000408853583 257226247 /nfs/dbraw/zinc/22/62/47/257226247.db2.gz PXIWRQADUSYCOF-JLPGSUDCSA-N 0 0 324.427 5.904 40 30 DKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000408853783 257226307 /nfs/dbraw/zinc/22/63/07/257226307.db2.gz SAHOREFVWOTCOZ-OQKWZONESA-N 0 0 302.421 5.571 40 30 DKEBRN Clc1cccc(/N=C/c2ccc(N3CCCC3)cc2)c1Cl ZINC000408854385 257225815 /nfs/dbraw/zinc/22/58/15/257225815.db2.gz DNRLMYDIWMSIJL-UDWIEESQSA-N 0 0 319.235 5.344 40 30 DKEBRN Cc1c(/C=N\c2ccc(F)c(Cl)c2)c2ccccc2n1C ZINC000408854791 257226226 /nfs/dbraw/zinc/22/62/26/257226226.db2.gz BJCHYNUUIIBSNT-JMIUGGIZSA-N 0 0 300.764 5.030 40 30 DKEBRN Fc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c(F)c1 ZINC000408855066 257226283 /nfs/dbraw/zinc/22/62/83/257226283.db2.gz DAEVSSWLWAQHOL-SRZZPIQSSA-N 0 0 316.738 5.160 40 30 DKEBRN Cc1cc(/C=N\c2ccc(F)c(Cl)c2)ccc1N1CCCC1 ZINC000408855689 257225915 /nfs/dbraw/zinc/22/59/15/257225915.db2.gz GIRBNBKLPMFADE-MTJSOVHGSA-N 0 0 316.807 5.138 40 30 DKEBRN C=CCc1cc(C=O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408856482 257226391 /nfs/dbraw/zinc/22/63/91/257226391.db2.gz KJQAKKIMAQSMKA-UHFFFAOYSA-N 0 0 321.203 5.113 40 30 DKEBRN CCOc1cccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c1 ZINC000408856848 257226099 /nfs/dbraw/zinc/22/60/99/257226099.db2.gz RJCTYHLJHNCZSA-STZFKDTASA-N 0 0 324.811 5.280 40 30 DKEBRN Cc1cc(/C=N\c2ccc(C(C)C)cc2)ccc1N1CCCC1 ZINC000408857137 257225830 /nfs/dbraw/zinc/22/58/30/257225830.db2.gz SGPKCJXPHIMBMZ-JCMHNJIXSA-N 0 0 306.453 5.469 40 30 DKEBRN Cc1cc(/C=N/c2ccc3ccccc3c2)ccc1N1CCCC1 ZINC000408857947 257225880 /nfs/dbraw/zinc/22/58/80/257225880.db2.gz QOALZXKTOWYAKS-XQNSMLJCSA-N 0 0 314.432 5.499 40 30 DKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(C(C)C)cc2)cc1 ZINC000408858385 257225860 /nfs/dbraw/zinc/22/58/60/257225860.db2.gz RVCLALXBJTYUHI-PXLXIMEGSA-N 0 0 318.420 5.360 40 30 DKEBRN COc1ccc(-n2cccc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000408859414 257225865 /nfs/dbraw/zinc/22/58/65/257225865.db2.gz UEBAHHGVFIFDFX-FYJGNVAPSA-N 0 0 324.811 5.198 40 30 DKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)c(C)c1 ZINC000408859475 257226313 /nfs/dbraw/zinc/22/63/13/257226313.db2.gz XXJPOQZOVGPPSI-BKUYFWCQSA-N 0 0 308.812 5.498 40 30 DKEBRN Clc1ccc(-n2cccc2/C=N\c2ccccc2Cl)cc1 ZINC000408860283 257225931 /nfs/dbraw/zinc/22/59/31/257225931.db2.gz ZWVNAIFUMHXOPE-NDENLUEZSA-N 0 0 315.203 5.535 40 30 DKEBRN Cc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)o1 ZINC000408912906 541305553 /nfs/dbraw/zinc/30/55/53/541305553.db2.gz ICFYEQQSWMYFJQ-OEAKJJBVSA-N 0 0 319.448 5.806 40 30 DKEBRN Cc1oc(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C ZINC000408919049 257225344 /nfs/dbraw/zinc/22/53/44/257225344.db2.gz RZCQWBHOBWXLHW-UFFVCSGVSA-N 0 0 324.767 5.432 40 30 DKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000408919325 257225214 /nfs/dbraw/zinc/22/52/14/257225214.db2.gz WMHKSBJONBKRJP-UFFVCSGVSA-N 0 0 324.767 5.432 40 30 DKEBRN CC(=CC(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000408920340 257225346 /nfs/dbraw/zinc/22/53/46/257225346.db2.gz IQBKDDYFEWELDI-ZHACJKMWSA-N 0 0 323.289 5.043 40 30 DKEBRN CC(C)(C)c1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408932225 257225454 /nfs/dbraw/zinc/22/54/54/257225454.db2.gz BQMQWRIMUKYPOW-UUYOSTAYSA-N 0 0 320.358 5.449 40 30 DKEBRN Cc1cc(C)c(C=NNc2ccc(C(F)(F)F)cc2)c(C)c1 ZINC000408932726 257225273 /nfs/dbraw/zinc/22/52/73/257225273.db2.gz YWIIGPVQMMCXCI-FBHDLOMBSA-N 0 0 306.331 5.077 40 30 DKEBRN COc1ccc(-n2cccc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000408951691 257225544 /nfs/dbraw/zinc/22/55/44/257225544.db2.gz JQRYNXWCYKSTGF-FYJGNVAPSA-N 0 0 324.811 5.198 40 30 DKEBRN COc1ccc(-n2cccc2/C=N/c2ccccc2C(C)C)cc1 ZINC000408955053 257225303 /nfs/dbraw/zinc/22/53/03/257225303.db2.gz VPDZHKHQTJKOBA-PXLXIMEGSA-N 0 0 318.420 5.360 40 30 DKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000408955983 257225186 /nfs/dbraw/zinc/22/51/86/257225186.db2.gz ZIUPOTRYCRPPQF-FYJGNVAPSA-N 0 0 324.811 5.198 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc2ccccc2c1 ZINC000408959636 257225563 /nfs/dbraw/zinc/22/55/63/257225563.db2.gz CHZYLSNTMUDXRB-KQWNVCNZSA-N 0 0 314.432 5.499 40 30 DKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000408959654 257225310 /nfs/dbraw/zinc/22/53/10/257225310.db2.gz CPNCADXDOLXHRC-KGENOOAVSA-N 0 0 312.844 5.389 40 30 DKEBRN C(=N\c1ccc2ccccc2c1)\c1ccc(N2CCCCC2)cc1 ZINC000408959715 257225386 /nfs/dbraw/zinc/22/53/86/257225386.db2.gz DQAPZMFIXFGBTI-QJOMJCCJSA-N 0 0 314.432 5.581 40 30 DKEBRN Clc1ccc(/N=C\c2ccc(N3CCCC3)cc2)c(Cl)c1 ZINC000408959749 257225316 /nfs/dbraw/zinc/22/53/16/257225316.db2.gz FDETUXRXICOPSH-NDENLUEZSA-N 0 0 319.235 5.344 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 ZINC000408959762 257225249 /nfs/dbraw/zinc/22/52/49/257225249.db2.gz FKBBICLUXNGXHS-QJOMJCCJSA-N 0 0 320.480 5.725 40 30 DKEBRN CSc1ccccc1/N=C/c1ccc(N2CCCC2)cc1C ZINC000408960219 257225503 /nfs/dbraw/zinc/22/55/03/257225503.db2.gz JTYQTHVEFXRSNP-XSFVSMFZSA-N 0 0 310.466 5.068 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1Cl ZINC000408960247 257225164 /nfs/dbraw/zinc/22/51/64/257225164.db2.gz KDMPHJTVGKVDLH-FYJGNVAPSA-N 0 0 312.844 5.308 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(C(C)C)cc1 ZINC000408960250 257225258 /nfs/dbraw/zinc/22/52/58/257225258.db2.gz KEULCZDCJQHIJV-PXLXIMEGSA-N 0 0 306.453 5.469 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(C(C)(C)C)cc1 ZINC000408960265 257225121 /nfs/dbraw/zinc/22/51/21/257225121.db2.gz KKDFXAMASXROFS-KQWNVCNZSA-N 0 0 320.480 5.643 40 30 DKEBRN C(=N\c1ccc2ccccc2c1)\c1ccc(N2CCCC2)cc1 ZINC000408960429 257225107 /nfs/dbraw/zinc/22/51/07/257225107.db2.gz LQSLIBONSGLBBZ-JWGURIENSA-N 0 0 300.405 5.191 40 30 DKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccnc2)c1C ZINC000408960457 257225256 /nfs/dbraw/zinc/22/52/56/257225256.db2.gz LWUDFVDTZKDAJM-YDZHTSKRSA-N 0 0 317.436 5.111 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408960533 257225238 /nfs/dbraw/zinc/22/52/38/257225238.db2.gz MNNJZXPPGRJPAM-HAVVHWLPSA-N 0 0 320.480 5.688 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(F)c(Cl)c1 ZINC000408960791 257225275 /nfs/dbraw/zinc/22/52/75/257225275.db2.gz OBNLZPYOTXBWGV-CIAFOILYSA-N 0 0 316.807 5.138 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccccc1C(C)C ZINC000408960850 257225136 /nfs/dbraw/zinc/22/51/36/257225136.db2.gz OTHOFMGNMNQDHL-PXLXIMEGSA-N 0 0 306.453 5.469 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1cccc(Cl)c1C ZINC000408960892 257225395 /nfs/dbraw/zinc/22/53/95/257225395.db2.gz PMAFUYOXECPYCZ-FYJGNVAPSA-N 0 0 312.844 5.308 40 30 DKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2)c1C ZINC000408961059 257225514 /nfs/dbraw/zinc/22/55/14/257225514.db2.gz QNWZAWXYCFALKV-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)cc1C ZINC000408961306 257225150 /nfs/dbraw/zinc/22/51/50/257225150.db2.gz RFYNCJAZDXKLRC-FYJGNVAPSA-N 0 0 312.844 5.308 40 30 DKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1cccc2ccccc21 ZINC000408961409 257225574 /nfs/dbraw/zinc/22/55/74/257225574.db2.gz SRAQCSVCSALCTD-XQNSMLJCSA-N 0 0 314.432 5.499 40 30 DKEBRN CC(C)c1ccccc1/N=C/c1ccc(N2CCCCC2)cc1 ZINC000408961886 257225353 /nfs/dbraw/zinc/22/53/53/257225353.db2.gz VHJCOSBPVRHZRW-CJLVFECKSA-N 0 0 306.453 5.551 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408962502 257225157 /nfs/dbraw/zinc/22/51/57/257225157.db2.gz YPMLINFEEUWKCF-BXDFRRGMSA-N 0 0 320.480 5.859 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408962504 257225432 /nfs/dbraw/zinc/22/54/32/257225432.db2.gz YPMLINFEEUWKCF-CSUZIONRSA-N 0 0 320.480 5.859 40 30 DKEBRN Cc1cc(/N=C/c2ccc(Cl)s2)ccc1Br ZINC000408964123 257225198 /nfs/dbraw/zinc/22/51/98/257225198.db2.gz BUJPKNMKLFABMR-VIZOYTHASA-N 0 0 314.635 5.223 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/Cc2ccccc2)c1C ZINC000408964281 257225362 /nfs/dbraw/zinc/22/53/62/257225362.db2.gz CRABENSIQQEYQG-XQNSMLJCSA-N 0 0 316.448 5.276 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(O)cc2)c1C ZINC000408964622 257225498 /nfs/dbraw/zinc/22/54/98/257225498.db2.gz CYFVRJQVNKAQPJ-HYARGMPZSA-N 0 0 318.420 5.113 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(C=NNc2ccccc2)c1C ZINC000408965083 257225226 /nfs/dbraw/zinc/22/52/26/257225226.db2.gz GBSDDNAILTUWMF-PXLXIMEGSA-N 0 0 317.436 5.103 40 30 DKEBRN Clc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)s1 ZINC000408965209 257225593 /nfs/dbraw/zinc/22/55/93/257225593.db2.gz HIDJERJTQAINEJ-XDHOZWIPSA-N 0 0 312.825 5.896 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2O)c1C ZINC000408965406 257225271 /nfs/dbraw/zinc/22/52/71/257225271.db2.gz GYKMXNAMARHGSX-HMAPJEAMSA-N 0 0 318.420 5.113 40 30 DKEBRN Clc1ccc(/C=N/c2ccc(C3CCCCC3)cc2)s1 ZINC000408965474 257225318 /nfs/dbraw/zinc/22/53/18/257225318.db2.gz HUGSVWQKKGTNNA-XDHOZWIPSA-N 0 0 303.858 6.200 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C)cc2)c1C ZINC000408965493 257225400 /nfs/dbraw/zinc/22/54/00/257225400.db2.gz HSIUFJXFWLKDGH-HZHRSRAPSA-N 0 0 316.448 5.716 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)cc2)c1C ZINC000408966502 257225149 /nfs/dbraw/zinc/22/51/49/257225149.db2.gz LYUYRTTUEPBKGN-OEAKJJBVSA-N 0 0 320.411 5.546 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(C)c2)c1C ZINC000408967000 257225159 /nfs/dbraw/zinc/22/51/59/257225159.db2.gz OQQQZOYVJGEMOE-HAHDFKILSA-N 0 0 316.448 5.716 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2)c1C ZINC000408967339 257225532 /nfs/dbraw/zinc/22/55/32/257225532.db2.gz PZCOZORPFAYMJI-PXLXIMEGSA-N 0 0 302.421 5.407 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\C2CCCCC2)c1C ZINC000408967565 257225235 /nfs/dbraw/zinc/22/52/35/257225235.db2.gz QYOSGXXBTZDTDG-JCMHNJIXSA-N 0 0 308.469 5.408 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2F)c1C ZINC000408968130 257225338 /nfs/dbraw/zinc/22/53/38/257225338.db2.gz UJZXBUWCWXFNBH-UCQKPKSFSA-N 0 0 320.411 5.546 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(O)c2)c1C ZINC000408968401 257224726 /nfs/dbraw/zinc/22/47/26/257224726.db2.gz WHQTYPJTXVCPFP-HMAPJEAMSA-N 0 0 318.420 5.113 40 30 DKEBRN CCCCOC(=O)c1ccc(/N=C/c2ccc(Cl)s2)cc1 ZINC000408968507 257224793 /nfs/dbraw/zinc/22/47/93/257224793.db2.gz ZVQDKMBPOQBEND-WOJGMQOQSA-N 0 0 321.829 5.109 40 30 DKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2C)c1C ZINC000408968579 257224605 /nfs/dbraw/zinc/22/46/05/257224605.db2.gz XNXRPAZWNMEAGH-HAHDFKILSA-N 0 0 316.448 5.716 40 30 DKEBRN O=C1c2ccccc2S/C1=C\c1cc2ccccc2nc1Cl ZINC000408975228 257224530 /nfs/dbraw/zinc/22/45/30/257224530.db2.gz KVAZGNWLJWHDFZ-YBEGLDIGSA-N 0 0 323.804 5.218 40 30 DKEBRN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000408975621 257224680 /nfs/dbraw/zinc/22/46/80/257224680.db2.gz BJFAAKWTDHERDB-WQRHYEAKSA-N 0 0 322.360 5.415 40 30 DKEBRN CCOc1ccc(C(=O)/C=C/c2cccc(Cl)c2Cl)cc1 ZINC000408977598 257224662 /nfs/dbraw/zinc/22/46/62/257224662.db2.gz DXFHAYRCMRJMRB-DHZHZOJOSA-N 0 0 321.203 5.288 40 30 DKEBRN CCCCCCCCNC(=O)Nc1ccc2sc(C)nc2c1 ZINC000408979141 257224942 /nfs/dbraw/zinc/22/49/42/257224942.db2.gz OZCVHQVNLYVKHO-UHFFFAOYSA-N 0 0 319.474 5.087 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1c(C)cccc1C ZINC000408996276 257224656 /nfs/dbraw/zinc/22/46/56/257224656.db2.gz HCLKEZVPYOWUQG-HYARGMPZSA-N 0 0 317.436 5.157 40 30 DKEBRN Cc1c2ccccc2c(C=NNc2ccccc2)c2ccccc12 ZINC000408999060 257224923 /nfs/dbraw/zinc/22/49/23/257224923.db2.gz JWBHGVOQYCUBRM-HZHRSRAPSA-N 0 0 310.400 5.747 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000409004674 257225011 /nfs/dbraw/zinc/22/50/11/257225011.db2.gz BEIZMKPICZKNPC-HYARGMPZSA-N 0 0 317.436 5.157 40 30 DKEBRN CCCCOc1ccc2ccccc2c1C=NNc1ccccc1 ZINC000409005909 257224560 /nfs/dbraw/zinc/22/45/60/257224560.db2.gz GJNFNNCUUKNOQR-JWGURIENSA-N 0 0 318.420 5.465 40 30 DKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc(C)c1C ZINC000409006414 257224612 /nfs/dbraw/zinc/22/46/12/257224612.db2.gz JEQXDTDBUFJBCA-HYARGMPZSA-N 0 0 317.436 5.157 40 30 DKEBRN CCCOc1ccc2ccccc2c1C=NNc1ccccc1 ZINC000409006956 257224694 /nfs/dbraw/zinc/22/46/94/257224694.db2.gz LQHMZWJUNCFBAN-QNGOZBTKSA-N 0 0 304.393 5.075 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409009438 257224081 /nfs/dbraw/zinc/22/40/81/257224081.db2.gz FVROTKAFDLOREF-HZHRSRAPSA-N 0 0 321.395 6.179 40 30 DKEBRN Cc1ccc(-n2cccc2/C=N/Cc2ccccc2)cc1Cl ZINC000409009877 257224795 /nfs/dbraw/zinc/22/47/95/257224795.db2.gz AGOYHDDWNWUOOR-KGENOOAVSA-N 0 0 308.812 5.058 40 30 DKEBRN Fc1cccc(-c2ccc(/C=N/c3ccc(F)c(Cl)c3)o2)c1 ZINC000409010360 257224290 /nfs/dbraw/zinc/22/42/90/257224290.db2.gz CIGQHKARLCZYQV-UFFVCSGVSA-N 0 0 317.722 5.629 40 30 DKEBRN CSc1ccccc1/N=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409010439 257224028 /nfs/dbraw/zinc/22/40/28/257224028.db2.gz KMEJSUQOGOMHIV-UDWIEESQSA-N 0 0 311.381 5.558 40 30 DKEBRN COc1cccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)c1 ZINC000409010742 257224402 /nfs/dbraw/zinc/22/44/02/257224402.db2.gz DKSVVYDMMHFZRI-FYJGNVAPSA-N 0 0 324.811 5.198 40 30 DKEBRN CCCOc1ccc2ccccc2c1/C=N\OCc1ccccc1 ZINC000409010944 257224148 /nfs/dbraw/zinc/22/41/48/257224148.db2.gz DVWKYSFEMMAHJF-JCMHNJIXSA-N 0 0 319.404 5.179 40 30 DKEBRN Fc1cccc(-c2ccc(/C=N/c3cccc4ccccc43)o2)c1 ZINC000409011042 257224414 /nfs/dbraw/zinc/22/44/14/257224414.db2.gz FPUNUCDMYGXQNQ-OEAKJJBVSA-N 0 0 315.347 5.990 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl ZINC000409011455 257224099 /nfs/dbraw/zinc/22/40/99/257224099.db2.gz HVLKIECHLUSIFO-SRZZPIQSSA-N 0 0 313.759 5.798 40 30 DKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409011686 257224029 /nfs/dbraw/zinc/22/40/29/257224029.db2.gz HECVTVWSMZYRJM-SRZZPIQSSA-N 0 0 313.759 5.798 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccccc2C)cc1Cl ZINC000409012327 257224392 /nfs/dbraw/zinc/22/43/92/257224392.db2.gz QNTIUMFZRJLWNV-FAPYRAKZSA-N 0 0 301.817 5.576 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccccc2C)cc1Cl ZINC000409012328 257224046 /nfs/dbraw/zinc/22/40/46/257224046.db2.gz QNTIUMFZRJLWNV-GQFJFNLSSA-N 0 0 301.817 5.576 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccccc2Cl)cc1Cl ZINC000409012419 257224172 /nfs/dbraw/zinc/22/41/72/257224172.db2.gz JXBZQCJLNMJXCN-OEKFUPINSA-N 0 0 322.235 5.921 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccccc2Cl)cc1Cl ZINC000409012422 257224206 /nfs/dbraw/zinc/22/42/06/257224206.db2.gz JXBZQCJLNMJXCN-WXYNYTDUSA-N 0 0 322.235 5.921 40 30 DKEBRN CCc1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1 ZINC000409012958 257224228 /nfs/dbraw/zinc/22/42/28/257224228.db2.gz SATJJTGZYFKYJW-HYARGMPZSA-N 0 0 322.839 5.752 40 30 DKEBRN COc1cccc(/C=N/c2cc(Cl)ccc2C)c1OC(C)C ZINC000409013230 257223982 /nfs/dbraw/zinc/22/39/82/257223982.db2.gz MNPOUHNCOMPZSO-RGVLZGJSSA-N 0 0 317.816 5.195 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409013849 257224101 /nfs/dbraw/zinc/22/41/01/257224101.db2.gz NUDNGBNJPUBWKT-FVQJWRHTSA-N 0 0 321.395 6.350 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409013852 257224111 /nfs/dbraw/zinc/22/41/11/257224111.db2.gz NUDNGBNJPUBWKT-QKIXXSFTSA-N 0 0 321.395 6.350 40 30 DKEBRN Cc1ccc(-n2cccc2/C=N\c2ccccc2C)cc1Cl ZINC000409015092 257224368 /nfs/dbraw/zinc/22/43/68/257224368.db2.gz YOCLPLQYBOXHNC-BKUYFWCQSA-N 0 0 308.812 5.498 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccccc2F)cc1Cl ZINC000409015206 257224186 /nfs/dbraw/zinc/22/41/86/257224186.db2.gz YXZFKYVKXLLZSL-OEKFUPINSA-N 0 0 305.780 5.407 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccccc2F)cc1Cl ZINC000409015210 257224073 /nfs/dbraw/zinc/22/40/73/257224073.db2.gz YXZFKYVKXLLZSL-WXYNYTDUSA-N 0 0 305.780 5.407 40 30 DKEBRN COc1cccc(/C=N/c2ccc(F)c(Cl)c2)c1OC(C)C ZINC000409015408 257224259 /nfs/dbraw/zinc/22/42/59/257224259.db2.gz RBMXTKOHDASSID-KEBDBYFISA-N 0 0 321.779 5.026 40 30 DKEBRN Oc1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000409015655 257224350 /nfs/dbraw/zinc/22/43/50/257224350.db2.gz PDROEHPNXHNAGY-PXLXIMEGSA-N 0 0 312.372 5.087 40 30 DKEBRN CC(C)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409016120 257224367 /nfs/dbraw/zinc/22/43/67/257224367.db2.gz SJPXUTLDNQCXED-LPYMAVHISA-N 0 0 307.368 5.960 40 30 DKEBRN Fc1cccc(-c2ccc(/C=N\c3ccc4ccccc4c3)o2)c1 ZINC000409016123 257224164 /nfs/dbraw/zinc/22/41/64/257224164.db2.gz SJUGOCSQTXZTLJ-UCQKPKSFSA-N 0 0 315.347 5.990 40 30 DKEBRN Oc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 ZINC000409016325 257224115 /nfs/dbraw/zinc/22/41/15/257224115.db2.gz GYESXGWJGLEEQL-JCMHNJIXSA-N 0 0 312.372 5.087 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409017227 257224149 /nfs/dbraw/zinc/22/41/49/257224149.db2.gz LRQQMQLYJOFQTF-WSDLNYQXSA-N 0 0 320.779 5.531 40 30 DKEBRN CCc1ccccc1/N=C/c1ccc(O[C@H](C)CC)c(Cl)c1 ZINC000409017764 257224102 /nfs/dbraw/zinc/22/41/02/257224102.db2.gz VUGBRACGGVFQHJ-CNRHGSOZSA-N 0 0 315.844 5.830 40 30 DKEBRN CCc1ccccc1/N=C/c1ccc(O[C@@H](C)CC)c(Cl)c1 ZINC000409017765 257224034 /nfs/dbraw/zinc/22/40/34/257224034.db2.gz VUGBRACGGVFQHJ-HADWXUJASA-N 0 0 315.844 5.830 40 30 DKEBRN COc1cccc(/C=N/c2cccc3ccccc32)c1OC(C)C ZINC000409018200 257224241 /nfs/dbraw/zinc/22/42/41/257224241.db2.gz YLLAZALSFJRBNF-HYARGMPZSA-N 0 0 319.404 5.386 40 30 DKEBRN COc1ccccc1/N=C/c1cccn1-c1ccc(C)c(Cl)c1 ZINC000409018760 257224364 /nfs/dbraw/zinc/22/43/64/257224364.db2.gz ZAUNERIIVGOQRO-FYJGNVAPSA-N 0 0 324.811 5.198 40 30 DKEBRN Fc1cccc(-c2ccc(/C=N/c3ccc4ncccc4c3)o2)c1 ZINC000409018829 257224305 /nfs/dbraw/zinc/22/43/05/257224305.db2.gz ZLKIYNDDKAIITO-YDZHTSKRSA-N 0 0 316.335 5.385 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(O)cc2)cc1 ZINC000409019414 257224131 /nfs/dbraw/zinc/22/41/31/257224131.db2.gz SDQSDQXFXXPSEQ-JCMHNJIXSA-N 0 0 318.420 5.231 40 30 DKEBRN Cc1ccc(-n2cccc2/C=N\c2ccccc2F)cc1Cl ZINC000409019443 257224106 /nfs/dbraw/zinc/22/41/06/257224106.db2.gz JFPJQDNJDHRELO-MTJSOVHGSA-N 0 0 312.775 5.329 40 30 DKEBRN CCc1ccccc1/N=C/c1cccn1-c1ccc(C)c(Cl)c1 ZINC000409019510 257224348 /nfs/dbraw/zinc/22/43/48/257224348.db2.gz JNAMCKVCQKADCW-HYARGMPZSA-N 0 0 322.839 5.752 40 30 DKEBRN Oc1cc(Cl)ccc1/N=C\c1ccc(-c2cccc(F)c2)o1 ZINC000409020168 257224083 /nfs/dbraw/zinc/22/40/83/257224083.db2.gz MKNNEQFSRWRRLB-JMIUGGIZSA-N 0 0 315.731 5.195 40 30 DKEBRN Fc1cccc(-c2ccc(/C=N/c3ccc(F)cc3F)o2)c1 ZINC000409020544 257224218 /nfs/dbraw/zinc/22/42/18/257224218.db2.gz QJAKDXYGECLGOL-UFFVCSGVSA-N 0 0 301.267 5.115 40 30 DKEBRN COc1ccc(/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1 ZINC000409020919 257224180 /nfs/dbraw/zinc/22/41/80/257224180.db2.gz VRUIGWSIFKAVFB-BKUYFWCQSA-N 0 0 324.811 5.198 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2)cc1Cl ZINC000409020951 257224079 /nfs/dbraw/zinc/22/40/79/257224079.db2.gz WCWPRXQZCQSMNR-DQAKUKQTSA-N 0 0 322.235 5.921 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2)cc1Cl ZINC000409020952 257224184 /nfs/dbraw/zinc/22/41/84/257224184.db2.gz WCWPRXQZCQSMNR-ZICWZVMQSA-N 0 0 322.235 5.921 40 30 DKEBRN CC(C)c1ccccc1/N=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409020954 257224231 /nfs/dbraw/zinc/22/42/31/257224231.db2.gz WEAKIQPIGCUCKX-LPYMAVHISA-N 0 0 307.368 5.960 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cccc(F)c2)cc1Cl ZINC000409020989 257224092 /nfs/dbraw/zinc/22/40/92/257224092.db2.gz WPIKRBCWTODMMU-DQAKUKQTSA-N 0 0 305.780 5.407 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2cccc(F)c2)cc1Cl ZINC000409020990 257224386 /nfs/dbraw/zinc/22/43/86/257224386.db2.gz WPIKRBCWTODMMU-ZICWZVMQSA-N 0 0 305.780 5.407 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc(C)cc2C)cc1Cl ZINC000409021104 257224142 /nfs/dbraw/zinc/22/41/42/257224142.db2.gz XYGAEPLGLINVMA-OFNOZLENSA-N 0 0 315.844 5.885 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc(C)cc2C)cc1Cl ZINC000409021105 257224274 /nfs/dbraw/zinc/22/42/74/257224274.db2.gz XYGAEPLGLINVMA-RANIVTSPSA-N 0 0 315.844 5.885 40 30 DKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1Cl ZINC000409021113 257224407 /nfs/dbraw/zinc/22/44/07/257224407.db2.gz YBFFNTCCYJPGKI-OEKFUPINSA-N 0 0 322.235 5.921 40 30 DKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2)cc1Cl ZINC000409021114 257224063 /nfs/dbraw/zinc/22/40/63/257224063.db2.gz YBFFNTCCYJPGKI-WXYNYTDUSA-N 0 0 322.235 5.921 40 30 DKEBRN COc1cccc(/C=N/c2cccc(Cl)c2C)c1OC(C)C ZINC000409021195 257224045 /nfs/dbraw/zinc/22/40/45/257224045.db2.gz YXPFKMXQPOLQNO-RGVLZGJSSA-N 0 0 317.816 5.195 40 30 DKEBRN N#Cc1ccc(-c2ccc(/C=N\c3ccc4ccccc4c3)o2)cc1 ZINC000409021549 257224027 /nfs/dbraw/zinc/22/40/27/257224027.db2.gz MURLSQROGXLDQL-IWIPYMOSSA-N 0 0 322.367 5.722 40 30 DKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1 ZINC000409022142 257224323 /nfs/dbraw/zinc/22/43/23/257224323.db2.gz GEDPJJUKVXEBCT-CJLVFECKSA-N 0 0 318.420 5.276 40 30 DKEBRN N#Cc1ccc(-c2ccc(/C=N/c3cccc(Cl)c3)o2)cc1 ZINC000409023468 257224153 /nfs/dbraw/zinc/22/41/53/257224153.db2.gz NCMTUHCPLJFUPD-CIAFOILYSA-N 0 0 306.752 5.222 40 30 DKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409023780 257224213 /nfs/dbraw/zinc/22/42/13/257224213.db2.gz PNCWDKOCXWFFHC-WSDLNYQXSA-N 0 0 320.779 5.531 40 30 DKEBRN Cc1ccc(/N=C\c2ccc(-c3ccc(C#N)cc3)o2)c(C)c1 ZINC000409024285 257224410 /nfs/dbraw/zinc/22/44/10/257224410.db2.gz PLBQBUBLMKZSLX-XKZIYDEJSA-N 0 0 300.361 5.186 40 30 DKEBRN CCc1ccccc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000409052912 257224209 /nfs/dbraw/zinc/22/42/09/257224209.db2.gz DUIYJDRZLMKQMO-MDZDMXLPSA-N 0 0 320.219 5.364 40 30 DKEBRN CCc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000409055888 257223287 /nfs/dbraw/zinc/22/32/87/257223287.db2.gz BPIUKIYMQIGXRY-MDZDMXLPSA-N 0 0 320.219 5.364 40 30 DKEBRN C[C@@H](NC=CC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000409061901 257223681 /nfs/dbraw/zinc/22/36/81/257223681.db2.gz JUYRMTIBFUVUFG-BZYZDCJZSA-N 0 0 320.219 5.041 40 30 DKEBRN C[C@H](NC=CC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000409061902 257223615 /nfs/dbraw/zinc/22/36/15/257223615.db2.gz JUYRMTIBFUVUFG-VMPCVLLUSA-N 0 0 320.219 5.041 40 30 DKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cc(Cl)ccc1Cl ZINC000409062397 257223411 /nfs/dbraw/zinc/22/34/11/257223411.db2.gz SZEIJWJNNRFBFE-FMIVXFBMSA-N 0 0 320.219 5.500 40 30 DKEBRN CC(C)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409063834 257223423 /nfs/dbraw/zinc/22/34/23/257223423.db2.gz DWXUEZYRKSHWGR-HYARGMPZSA-N 0 0 310.416 5.300 40 30 DKEBRN Cc1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)cc1Cl ZINC000409067045 257223559 /nfs/dbraw/zinc/22/35/59/257223559.db2.gz OTNKFOGDSXXVOF-MTJSOVHGSA-N 0 0 316.807 5.138 40 30 DKEBRN CCn1c(C)cc(/C=N/c2ccc(-c3ccccc3)cc2)c1C ZINC000409071565 257223665 /nfs/dbraw/zinc/22/36/65/257223665.db2.gz KFIQAJHXEIEJJA-PXLXIMEGSA-N 0 0 302.421 5.542 40 30 DKEBRN Fc1cc(/C=N\c2ccc3ccccc3c2)ccc1N1CCCC1 ZINC000409072153 257223659 /nfs/dbraw/zinc/22/36/59/257223659.db2.gz ITUIIFMZZNUVSD-HAHDFKILSA-N 0 0 318.395 5.330 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409073821 257223405 /nfs/dbraw/zinc/22/34/05/257223405.db2.gz NOTWVNPYUUGYKF-XQNSMLJCSA-N 0 0 324.443 5.519 40 30 DKEBRN CCn1c(C)cc(/C=N/c2ccc(Nc3ccccc3)cc2)c1C ZINC000409074108 257223613 /nfs/dbraw/zinc/22/36/13/257223613.db2.gz XYTHDRYBUQJYBJ-PXLXIMEGSA-N 0 0 317.436 5.619 40 30 DKEBRN Fc1cc(/C=N/c2cccc3ccccc32)ccc1N1CCCC1 ZINC000409074111 257223317 /nfs/dbraw/zinc/22/33/17/257223317.db2.gz XYVMZWREWMHJDJ-HZHRSRAPSA-N 0 0 318.395 5.330 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409075075 257223367 /nfs/dbraw/zinc/22/33/67/257223367.db2.gz TUCUXWUBPNXCSQ-HAHDFKILSA-N 0 0 324.443 5.474 40 30 DKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccco3)sc2C1 ZINC000409077052 257223449 /nfs/dbraw/zinc/22/34/49/257223449.db2.gz CVXINZXVVDRNTO-DQAKUKQTSA-N 0 0 312.438 5.114 40 30 DKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccco3)sc2C1 ZINC000409077053 257223598 /nfs/dbraw/zinc/22/35/98/257223598.db2.gz CVXINZXVVDRNTO-ZICWZVMQSA-N 0 0 312.438 5.114 40 30 DKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3)sc2C1 ZINC000409077274 257223679 /nfs/dbraw/zinc/22/36/79/257223679.db2.gz DKDYLVVIGBQENB-IKMPRTQCSA-N 0 0 322.477 5.521 40 30 DKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3)sc2C1 ZINC000409077284 257223451 /nfs/dbraw/zinc/22/34/51/257223451.db2.gz DKDYLVVIGBQENB-NSMHLIOHSA-N 0 0 322.477 5.521 40 30 DKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccco1 ZINC000409088427 257223618 /nfs/dbraw/zinc/22/36/18/257223618.db2.gz JITPQKDEXIZVLI-LPYMAVHISA-N 0 0 321.420 5.204 40 30 DKEBRN CCc1ccc(C(=O)C=CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000409088997 257223631 /nfs/dbraw/zinc/22/36/31/257223631.db2.gz MNSFWXHEFDYAKN-BQYQJAHWSA-N 0 0 320.219 5.364 40 30 DKEBRN CCc1ccc(C(=O)C=CNc2cccc(Cl)c2Cl)cc1 ZINC000409091934 257223627 /nfs/dbraw/zinc/22/36/27/257223627.db2.gz VYYZUTZOWMZVOM-ZHACJKMWSA-N 0 0 320.219 5.364 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(F)c(Cl)c1 ZINC000409093808 257223696 /nfs/dbraw/zinc/22/36/96/257223696.db2.gz AHCLYLUYFMOTKS-DJKKODMXSA-N 0 0 312.171 5.282 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccccc1SC ZINC000409094052 257223346 /nfs/dbraw/zinc/22/33/46/257223346.db2.gz CUVNLDUFAACCSZ-WOJGMQOQSA-N 0 0 305.830 5.211 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(C(C)C)cc1 ZINC000409094144 257223557 /nfs/dbraw/zinc/22/35/57/257223557.db2.gz CGEBLWMJBXNROI-UDWIEESQSA-N 0 0 301.817 5.613 40 30 DKEBRN CC(C)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409094316 257223355 /nfs/dbraw/zinc/22/33/55/257223355.db2.gz DAIAPDVXVYKWIA-VCHYOVAHSA-N 0 0 302.761 5.122 40 30 DKEBRN O=C1CCCCC1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000409095460 257223305 /nfs/dbraw/zinc/22/33/05/257223305.db2.gz HUDPWNHLNJMPDE-BLGAYRSQSA-N 0 0 305.381 5.541 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409095783 257223568 /nfs/dbraw/zinc/22/35/68/257223568.db2.gz JDQSXMXAYSSMTG-MKFNJMOCSA-N 0 0 316.788 5.512 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409095784 257223744 /nfs/dbraw/zinc/22/37/44/257223744.db2.gz JDQSXMXAYSSMTG-ZGXHQARYSA-N 0 0 316.788 5.512 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@H](C)CC)cc1 ZINC000409095840 257223301 /nfs/dbraw/zinc/22/33/01/257223301.db2.gz DMBWYFPVUFWPLY-CNRHGSOZSA-N 0 0 315.844 6.003 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H](C)CC)cc1 ZINC000409095841 257223661 /nfs/dbraw/zinc/22/36/61/257223661.db2.gz DMBWYFPVUFWPLY-HADWXUJASA-N 0 0 315.844 6.003 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1C ZINC000409096399 257223397 /nfs/dbraw/zinc/22/33/97/257223397.db2.gz LAEYOYHYTABCJP-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409096996 257223045 /nfs/dbraw/zinc/22/30/45/257223045.db2.gz LDRMZVSIRNESJY-ODLFYWEKSA-N 0 0 316.788 5.296 40 30 DKEBRN CC(C)(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409097867 257222869 /nfs/dbraw/zinc/22/28/69/257222869.db2.gz JOCNKRVSTYUMSJ-ODLFYWEKSA-N 0 0 316.788 5.296 40 30 DKEBRN CCCCc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409098259 257222821 /nfs/dbraw/zinc/22/28/21/257222821.db2.gz KUTYBAFHMFDAJP-XDHOZWIPSA-N 0 0 316.788 5.341 40 30 DKEBRN CCCCc1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000409098322 257222794 /nfs/dbraw/zinc/22/27/94/257222794.db2.gz PVNAZHIZYQWODN-XDHOZWIPSA-N 0 0 316.788 5.341 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409098396 257222832 /nfs/dbraw/zinc/22/28/32/257222832.db2.gz OQHGOXGQFXTRCC-CIAFOILYSA-N 0 0 316.807 5.138 40 30 DKEBRN Cn1cccc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409098825 257223080 /nfs/dbraw/zinc/22/30/80/257223080.db2.gz MEBRWPKBYTXQQD-DEDYPNTBSA-N 0 0 310.784 5.221 40 30 DKEBRN CC(C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409098996 257222936 /nfs/dbraw/zinc/22/29/36/257222936.db2.gz RBOGBLYBUUOYAF-VCHYOVAHSA-N 0 0 302.761 5.122 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1cccc(Cl)c1C ZINC000409099116 257223016 /nfs/dbraw/zinc/22/30/16/257223016.db2.gz QKMKPXFOANVKEN-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN Cn1cccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409099785 541319780 /nfs/dbraw/zinc/31/97/80/541319780.db2.gz LOTAMTKQOKMUMJ-HZHRSRAPSA-N 0 0 318.464 5.244 40 30 DKEBRN CCCCc1ccc(/N=C/c2cc(Cl)ccc2OCC)cc1 ZINC000409100401 257222734 /nfs/dbraw/zinc/22/27/34/257222734.db2.gz VSDBHLBOPFIBOE-KGENOOAVSA-N 0 0 315.844 5.832 40 30 DKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409100472 257223117 /nfs/dbraw/zinc/22/31/17/257223117.db2.gz NTELRQQHJLKFPZ-KGENOOAVSA-N 0 0 323.848 6.242 40 30 DKEBRN CC(C)(C)C(=O)C=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000409100500 257222924 /nfs/dbraw/zinc/22/29/24/257222924.db2.gz TUDAXGQQVVTPFD-LBAZEMSQSA-N 0 0 307.397 5.643 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409101210 257222883 /nfs/dbraw/zinc/22/28/83/257222883.db2.gz AMHPJVZDHMPDOV-VXLYETTFSA-N 0 0 308.208 5.451 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(OC)c(Cl)c1 ZINC000409101708 257223061 /nfs/dbraw/zinc/22/30/61/257223061.db2.gz QQMRGPZZOQFYKQ-VXLYETTFSA-N 0 0 324.207 5.151 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc2ccccc2c1 ZINC000409101928 257223143 /nfs/dbraw/zinc/22/31/43/257223143.db2.gz ZHRFHHRLYGMSNZ-BKUYFWCQSA-N 0 0 309.796 5.643 40 30 DKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3)cc2)c1C ZINC000409102513 257222986 /nfs/dbraw/zinc/22/29/86/257222986.db2.gz YHMWMEWGZMHMSM-PXLXIMEGSA-N 0 0 318.420 5.668 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(C(C)(C)C)cc1 ZINC000409104466 257223046 /nfs/dbraw/zinc/22/30/46/257223046.db2.gz IYKWMPNJODDTGY-BKUYFWCQSA-N 0 0 315.844 5.787 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1cccc2ccccc21 ZINC000409105885 257223135 /nfs/dbraw/zinc/22/31/35/257223135.db2.gz JPQWCADGPFNBSI-FYJGNVAPSA-N 0 0 309.796 5.643 40 30 DKEBRN CCOc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1OC ZINC000409106298 257223126 /nfs/dbraw/zinc/22/31/26/257223126.db2.gz RDTBJWHKYMYFGQ-VXLYETTFSA-N 0 0 324.207 5.151 40 30 DKEBRN Cn1cccc1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409107069 257223038 /nfs/dbraw/zinc/22/30/38/257223038.db2.gz UMYBZKVNYNYZBG-DEDYPNTBSA-N 0 0 310.784 5.221 40 30 DKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409107369 257223065 /nfs/dbraw/zinc/22/30/65/257223065.db2.gz PCDVXNQLKYCEKN-CIAFOILYSA-N 0 0 316.807 5.138 40 30 DKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409107605 257223010 /nfs/dbraw/zinc/22/30/10/257223010.db2.gz SBYMEAJVJBWFSY-LGVXEURYSA-N 0 0 324.443 5.690 40 30 DKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409107607 257222914 /nfs/dbraw/zinc/22/29/14/257222914.db2.gz SBYMEAJVJBWFSY-PFRBSUFTSA-N 0 0 324.443 5.690 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1Cl ZINC000409109255 257223075 /nfs/dbraw/zinc/22/30/75/257223075.db2.gz AMRNDIBAKTZVAT-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(CNc2cc(Cl)ccc2C)cc1Cl ZINC000409110151 257222863 /nfs/dbraw/zinc/22/28/63/257222863.db2.gz SNEMQSDMIVASGA-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1cc(C)ccc1C ZINC000409110356 257222947 /nfs/dbraw/zinc/22/29/47/257222947.db2.gz VBTXWGVTBNAFPD-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Cl ZINC000409110982 257223132 /nfs/dbraw/zinc/22/31/32/257223132.db2.gz HQTKRRWXLFVOKU-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(CNc2cccc(Cl)c2C)cc1Cl ZINC000409111362 257222218 /nfs/dbraw/zinc/22/22/18/257222218.db2.gz AALDJGNXTYLBDD-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1c(Cl)cc(CNc2cccc(C)c2)cc1Cl ZINC000409111461 257222912 /nfs/dbraw/zinc/22/29/12/257222912.db2.gz CVSGHHBCRYDYQH-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1 ZINC000409111802 257222407 /nfs/dbraw/zinc/22/24/07/257222407.db2.gz CFQIONZDIOMFOW-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(C)c(Cl)c1 ZINC000409111888 257222288 /nfs/dbraw/zinc/22/22/88/257222288.db2.gz DRRXHRMSQNXILM-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1cccc(C)c1C ZINC000409111913 257222461 /nfs/dbraw/zinc/22/24/61/257222461.db2.gz DFIFEOBRELEHDI-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(CNc2ccccc2CC)cc1Cl ZINC000409113263 257222210 /nfs/dbraw/zinc/22/22/10/257222210.db2.gz HHEAJOANMYEFSK-UHFFFAOYSA-N 0 0 301.817 5.079 40 30 DKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2)cc1Cl ZINC000409114291 257222548 /nfs/dbraw/zinc/22/25/48/257222548.db2.gz IUDSELBDHQCMAI-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1 ZINC000409114415 257222325 /nfs/dbraw/zinc/22/23/25/257222325.db2.gz HMLMGARJRBDDKY-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN C=CCOc1ccc(CNc2cc(C)ccc2C)cc1Cl ZINC000409114673 257222545 /nfs/dbraw/zinc/22/25/45/257222545.db2.gz KVBNHEAOKXNJLB-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1cccc(Cl)c1C ZINC000409114845 257222179 /nfs/dbraw/zinc/22/21/79/257222179.db2.gz QOQDWBWAPJAFBM-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1Cl ZINC000409115233 257222525 /nfs/dbraw/zinc/22/25/25/257222525.db2.gz KUZDOQUKMXARCN-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(C)cc2C)cc1Cl ZINC000409115361 257222541 /nfs/dbraw/zinc/22/25/41/257222541.db2.gz RKZYRNBMSXWUES-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(CNc2ccc(CC)cc2)cc1Cl ZINC000409115910 257222602 /nfs/dbraw/zinc/22/26/02/257222602.db2.gz JRKUIOICFAQCOV-UHFFFAOYSA-N 0 0 301.817 5.079 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccccc1CC ZINC000409116110 257222197 /nfs/dbraw/zinc/22/21/97/257222197.db2.gz OJCADEHZWHQKCR-UHFFFAOYSA-N 0 0 301.817 5.079 40 30 DKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2C)cc1Cl ZINC000409116310 257222222 /nfs/dbraw/zinc/22/22/22/257222222.db2.gz ISFCFNSNBCRYGW-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(C)cc1C ZINC000409118009 257222592 /nfs/dbraw/zinc/22/25/92/257222592.db2.gz OOKHDNZFRSVSPD-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1cc(Cl)ccc1C ZINC000409118182 257222331 /nfs/dbraw/zinc/22/23/31/257222331.db2.gz ZFNFYOBCVLKZSQ-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1 ZINC000409118728 257222496 /nfs/dbraw/zinc/22/24/96/257222496.db2.gz PYMJYALRJDNWIX-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN C=CCOc1ccc(CNc2cccc(C)c2C)cc1Cl ZINC000409120352 257222583 /nfs/dbraw/zinc/22/25/83/257222583.db2.gz UAKOHBNSRGVRAW-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(C)c(C)c1 ZINC000409122483 257222356 /nfs/dbraw/zinc/22/23/56/257222356.db2.gz ZNKJVLSODVNUOL-UHFFFAOYSA-N 0 0 301.817 5.134 40 30 DKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(CC)cc1 ZINC000409122503 257222095 /nfs/dbraw/zinc/22/20/95/257222095.db2.gz ZZJBZVAVDSINEN-UHFFFAOYSA-N 0 0 301.817 5.079 40 30 DKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1C ZINC000409122551 257222314 /nfs/dbraw/zinc/22/23/14/257222314.db2.gz ZLHRCCITPHTDJJ-UHFFFAOYSA-N 0 0 322.235 5.479 40 30 DKEBRN Cc1ccc(C)c(NC=CC(=O)c2cccc3ccccc32)c1 ZINC000409173449 257221341 /nfs/dbraw/zinc/22/13/41/257221341.db2.gz NKUORCAAPRBNMT-OUKQBFOZSA-N 0 0 301.389 5.265 40 30 DKEBRN C[C@H]1CCCC(=CNc2ccccc2Oc2ccccc2)C1=O ZINC000409175255 257221056 /nfs/dbraw/zinc/22/10/56/257221056.db2.gz YSDWEJGHUGBORT-RIBQPWQFSA-N 0 0 307.393 5.164 40 30 DKEBRN C[C@@H]1CCCC(=CNc2ccccc2Oc2ccccc2)C1=O ZINC000409175256 257221494 /nfs/dbraw/zinc/22/14/94/257221494.db2.gz YSDWEJGHUGBORT-VZHUHSAUSA-N 0 0 307.393 5.164 40 30 DKEBRN C[C@H]1CCCC(=CNc2ccc(Oc3ccccc3)cc2)C1=O ZINC000409175962 257221425 /nfs/dbraw/zinc/22/14/25/257221425.db2.gz GBDZLQBCXSYETA-RIBQPWQFSA-N 0 0 307.393 5.164 40 30 DKEBRN C[C@@H]1CCCC(=CNc2ccc(Oc3ccccc3)cc2)C1=O ZINC000409175963 257221290 /nfs/dbraw/zinc/22/12/90/257221290.db2.gz GBDZLQBCXSYETA-VZHUHSAUSA-N 0 0 307.393 5.164 40 30 DKEBRN C[C@@H]1CCCC(=CNc2ccc(Nc3ccccc3)cc2)C1=O ZINC000409177226 257221157 /nfs/dbraw/zinc/22/11/57/257221157.db2.gz FANVKPCIJODFST-DPEHCCBOSA-N 0 0 306.409 5.115 40 30 DKEBRN C[C@H]1CCCC(=CNc2ccc(Nc3ccccc3)cc2)C1=O ZINC000409177227 257221273 /nfs/dbraw/zinc/22/12/73/257221273.db2.gz FANVKPCIJODFST-IDTYTIONSA-N 0 0 306.409 5.115 40 30 DKEBRN Cc1cccc(NC=CC(=O)c2cccc3ccccc32)c1C ZINC000409177329 257221339 /nfs/dbraw/zinc/22/13/39/257221339.db2.gz DQTWCEYWHONAQB-BUHFOSPRSA-N 0 0 301.389 5.265 40 30 DKEBRN Cc1c(Cl)cccc1NC=CC(=O)c1cccc2ccccc21 ZINC000409177606 257221148 /nfs/dbraw/zinc/22/11/48/257221148.db2.gz AWXHCSZVJHOILM-OUKQBFOZSA-N 0 0 321.807 5.610 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2cccc3ccccc32)c(C)c1 ZINC000409178293 257221004 /nfs/dbraw/zinc/22/10/04/257221004.db2.gz KKMGLTUSDFALBT-OUKQBFOZSA-N 0 0 301.389 5.265 40 30 DKEBRN Cc1ccc(N=Nc2ccc(NC=C3CCCC3=O)cc2)cc1 ZINC000409179900 257221225 /nfs/dbraw/zinc/22/12/25/257221225.db2.gz PLLMIWGDRYMLDE-DIARCDLVSA-N 0 0 305.381 5.459 40 30 DKEBRN CCc1ccccc1NC=CC(=O)c1cccc2ccccc21 ZINC000409180088 257221441 /nfs/dbraw/zinc/22/14/41/257221441.db2.gz WHQSXHVUOYUKSW-CCEZHUSRSA-N 0 0 301.389 5.211 40 30 DKEBRN Cc1ccc(Cl)cc1NC=CC(=O)c1cccc2ccccc21 ZINC000409180146 257221068 /nfs/dbraw/zinc/22/10/68/257221068.db2.gz PQCNESDOXFIUTI-VAWYXSNFSA-N 0 0 321.807 5.610 40 30 DKEBRN Cc1cccc(NC=CC(=O)c2cccc3ccccc32)c1Cl ZINC000409180608 257221397 /nfs/dbraw/zinc/22/13/97/257221397.db2.gz XDTMRWBTLCJEKJ-OUKQBFOZSA-N 0 0 321.807 5.610 40 30 DKEBRN CCOc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000409180811 257221274 /nfs/dbraw/zinc/22/12/74/257221274.db2.gz VUNJNMDHBMRWFN-CCEZHUSRSA-N 0 0 317.388 5.047 40 30 DKEBRN CC(C)c1ccc(NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000409181280 257221108 /nfs/dbraw/zinc/22/11/08/257221108.db2.gz ANZGCHCPSSMZIM-CCEZHUSRSA-N 0 0 315.416 5.772 40 30 DKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccco1 ZINC000409181426 257221451 /nfs/dbraw/zinc/22/14/51/257221451.db2.gz CHMIDIPNFIWDTL-ALIBMQLSSA-N 0 0 317.348 5.504 40 30 DKEBRN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccccc1 ZINC000409181617 257221519 /nfs/dbraw/zinc/22/15/19/257221519.db2.gz DUJARDWCIXUNPJ-FOCLMDBBSA-N 0 0 314.388 5.239 40 30 DKEBRN Cc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1C ZINC000409181716 257221356 /nfs/dbraw/zinc/22/13/56/257221356.db2.gz GIROLXGAALIVQL-OUKQBFOZSA-N 0 0 301.389 5.265 40 30 DKEBRN O=C1CCCC1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000409181936 257221320 /nfs/dbraw/zinc/22/13/20/257221320.db2.gz GVUKYZCNAXIAGG-SEYXRHQNSA-N 0 0 313.784 5.181 40 30 DKEBRN C[C@@H]1CCCC(=CNc2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000409182104 257221361 /nfs/dbraw/zinc/22/13/61/257221361.db2.gz IEBIVGLMIKIENS-FLAMXVCHSA-N 0 0 319.408 5.787 40 30 DKEBRN C[C@H]1CCCC(=CNc2ccc(N=Nc3ccccc3)cc2)C1=O ZINC000409182106 257221110 /nfs/dbraw/zinc/22/11/10/257221110.db2.gz IEBIVGLMIKIENS-RYNGLCLESA-N 0 0 319.408 5.787 40 30 DKEBRN CCOc1ccccc1NC=CC(=O)c1cccc2ccccc21 ZINC000409183528 257221229 /nfs/dbraw/zinc/22/12/29/257221229.db2.gz VDRPBCWOHXGOMJ-CCEZHUSRSA-N 0 0 317.388 5.047 40 30 DKEBRN CCOc1ccc(-n2c(C)cc(/C=N\C3CCCCC3)c2C)cc1 ZINC000409187244 257221024 /nfs/dbraw/zinc/22/10/24/257221024.db2.gz NWYZXHOLQSPQJR-JCMHNJIXSA-N 0 0 324.468 5.244 40 30 DKEBRN N#Cc1ccccc1-c1ccc(-c2nc3ccccc3s2)o1 ZINC000409193385 257221147 /nfs/dbraw/zinc/22/11/47/257221147.db2.gz JSASYGWCHYDERV-UHFFFAOYSA-N 0 0 302.358 5.095 40 30 DKEBRN N#CCOc1ccc2ccccc2c1-c1nc2ccccc2s1 ZINC000409196025 257221061 /nfs/dbraw/zinc/22/10/61/257221061.db2.gz YGXQMXDFAZZRKD-UHFFFAOYSA-N 0 0 316.385 5.019 40 30 DKEBRN COc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C ZINC000409199177 257221486 /nfs/dbraw/zinc/22/14/86/257221486.db2.gz BOMYXRJQIDTRDE-CIAFOILYSA-N 0 0 309.796 5.561 40 30 DKEBRN COc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1 ZINC000409199301 257221453 /nfs/dbraw/zinc/22/14/53/257221453.db2.gz CEDWOHVIHDQFAA-JCMHNJIXSA-N 0 0 317.388 5.025 40 30 DKEBRN CCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409199329 257221221 /nfs/dbraw/zinc/22/12/21/257221221.db2.gz CIIVGHYYHJBLAO-JWGURIENSA-N 0 0 317.388 5.628 40 30 DKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(C)c1 ZINC000409199362 257221443 /nfs/dbraw/zinc/22/14/43/257221443.db2.gz CGPWFCOATXLALL-HZHRSRAPSA-N 0 0 313.400 5.219 40 30 DKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OC ZINC000409200096 257221421 /nfs/dbraw/zinc/22/14/21/257221421.db2.gz GSPRMOOUWNNOBV-DJKKODMXSA-N 0 0 324.207 5.070 40 30 DKEBRN Fc1cccc(COc2ccccc2/C=N/c2ccccc2)c1 ZINC000409201686 257221323 /nfs/dbraw/zinc/22/13/23/257221323.db2.gz NNVXMHCICHDFGO-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN COc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000409201716 257221091 /nfs/dbraw/zinc/22/10/91/257221091.db2.gz NRZBISJRLPPPRI-DJKKODMXSA-N 0 0 308.208 5.369 40 30 DKEBRN Clc1ccc(OCc2ccccc2)c(/C=N/c2ccccc2)c1 ZINC000409201990 257221192 /nfs/dbraw/zinc/22/11/92/257221192.db2.gz PSWABKVYGKILQY-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccccc2C)cc1 ZINC000409202268 257221211 /nfs/dbraw/zinc/22/12/11/257221211.db2.gz QHQTZZMDYMRECI-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN C=CCOc1cccc(CNc2ccc(Cl)c(Cl)c2)c1 ZINC000409203223 257220717 /nfs/dbraw/zinc/22/07/17/257220717.db2.gz WZUZHOMRFJJRFH-UHFFFAOYSA-N 0 0 308.208 5.170 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1 ZINC000409203529 257220492 /nfs/dbraw/zinc/22/04/92/257220492.db2.gz WWVQNCBTVXLNIA-JCMHNJIXSA-N 0 0 301.389 5.325 40 30 DKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1 ZINC000409203604 257220994 /nfs/dbraw/zinc/22/09/94/257220994.db2.gz ZCBNEAKAONTGAC-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN Fc1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 ZINC000409203883 257220532 /nfs/dbraw/zinc/22/05/32/257220532.db2.gz YUMUQKXRXSFUJC-HMAPJEAMSA-N 0 0 305.352 5.155 40 30 DKEBRN Clc1cccc(COc2ccc(/C=N/c3ccccc3)cc2)c1 ZINC000409203922 257220952 /nfs/dbraw/zinc/22/09/52/257220952.db2.gz ZYKOLUJRPZSGCH-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccccc2)c1 ZINC000409207790 257220678 /nfs/dbraw/zinc/22/06/78/257220678.db2.gz AAMWIAGEJWBAJU-JCMHNJIXSA-N 0 0 301.389 5.325 40 30 DKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OC ZINC000409207955 257220474 /nfs/dbraw/zinc/22/04/74/257220474.db2.gz DHKVKRPFKWWMCT-DJKKODMXSA-N 0 0 324.207 5.070 40 30 DKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409208458 257220580 /nfs/dbraw/zinc/22/05/80/257220580.db2.gz GAKDGCJCXXCJGG-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409208517 257220688 /nfs/dbraw/zinc/22/06/88/257220688.db2.gz CCXMFLWNDYHGGC-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1C ZINC000409208568 257220614 /nfs/dbraw/zinc/22/06/14/257220614.db2.gz GVJRSDSGRUDFIN-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN Clc1cccc(COc2ccccc2/C=N/c2ccccc2)c1 ZINC000409208630 257220778 /nfs/dbraw/zinc/22/07/78/257220778.db2.gz DAOOXRHQLRBAFC-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN COc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000409208979 257220488 /nfs/dbraw/zinc/22/04/88/257220488.db2.gz DSPSICPVXDRJAZ-DJKKODMXSA-N 0 0 308.208 5.369 40 30 DKEBRN C=CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409209054 257220462 /nfs/dbraw/zinc/22/04/62/257220462.db2.gz FLKRPNFAJKXUSR-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN C#CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000409209080 257220945 /nfs/dbraw/zinc/22/09/45/257220945.db2.gz FSPZRKYSXLRNCJ-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(Br)cc2)cc1Cl ZINC000409209314 257220866 /nfs/dbraw/zinc/22/08/66/257220866.db2.gz FPIBKHOXJFQNJS-RQZCQDPDSA-N 0 0 308.606 5.162 40 30 DKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Br)cc1 ZINC000409209357 257220570 /nfs/dbraw/zinc/22/05/70/257220570.db2.gz DVGABEIVDVEGEJ-RQZCQDPDSA-N 0 0 308.606 5.162 40 30 DKEBRN Fc1ccccc1COc1ccccc1/C=N/c1ccccc1 ZINC000409209813 257220737 /nfs/dbraw/zinc/22/07/37/257220737.db2.gz JDVCSLNVMRCZFB-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN Cc1ccc(COc2cccc(/C=N\c3ccc(C)cc3)c2)cc1 ZINC000409209851 257220962 /nfs/dbraw/zinc/22/09/62/257220962.db2.gz HVYHJLSFAOGRSJ-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN Fc1cccc(COc2cccc(/C=N\c3ccccc3)c2)c1 ZINC000409209915 257220441 /nfs/dbraw/zinc/22/04/41/257220441.db2.gz IESZMDIVBZGAAA-HMAPJEAMSA-N 0 0 305.352 5.155 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(C)c1 ZINC000409209958 257220826 /nfs/dbraw/zinc/22/08/26/257220826.db2.gz JXWSKZNFTHYHSZ-HZHRSRAPSA-N 0 0 315.416 5.772 40 30 DKEBRN Fc1cccc(COc2ccc(/C=N/c3ccccc3)cc2)c1 ZINC000409210026 257220636 /nfs/dbraw/zinc/22/06/36/257220636.db2.gz DBWRDJGYTSZIJV-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1C ZINC000409210027 257220703 /nfs/dbraw/zinc/22/07/03/257220703.db2.gz KKJVQJSQENMWLI-HZHRSRAPSA-N 0 0 313.400 5.219 40 30 DKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1C ZINC000409210081 257220974 /nfs/dbraw/zinc/22/09/74/257220974.db2.gz DKKBIDUYSVPDAB-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN Clc1cccc(COc2cccc(/C=N\c3ccccc3)c2)c1 ZINC000409210486 257220493 /nfs/dbraw/zinc/22/04/93/257220493.db2.gz JCRSYAKCSKPQNG-HMAPJEAMSA-N 0 0 321.807 5.670 40 30 DKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409210837 257220777 /nfs/dbraw/zinc/22/07/77/257220777.db2.gz GYIUMLGEEZKURN-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN Fc1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 ZINC000409212230 257220501 /nfs/dbraw/zinc/22/05/01/257220501.db2.gz QEPJGBLIQFNMDB-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccccc2F)c1 ZINC000409212252 257220543 /nfs/dbraw/zinc/22/05/43/257220543.db2.gz PAHNCBMYCDFKRY-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN COc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 ZINC000409212360 257220444 /nfs/dbraw/zinc/22/04/44/257220444.db2.gz PGOFWOPGOQUDNL-CIAFOILYSA-N 0 0 309.796 5.561 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409212515 257220659 /nfs/dbraw/zinc/22/06/59/257220659.db2.gz QSLGQYPOUQHDMH-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1cccc(C)c1C ZINC000409212827 257220730 /nfs/dbraw/zinc/22/07/30/257220730.db2.gz RFTMGYGLJDGZAR-HZHRSRAPSA-N 0 0 315.416 5.772 40 30 DKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 ZINC000409212880 257220649 /nfs/dbraw/zinc/22/06/49/257220649.db2.gz RKFYPEBOQMLLRS-PXLXIMEGSA-N 0 0 301.389 5.325 40 30 DKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3ccccc3)c2)c1 ZINC000409213615 257220771 /nfs/dbraw/zinc/22/07/71/257220771.db2.gz SHYPEBWHXGFDMV-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccccc2)cc1 ZINC000409213913 257220732 /nfs/dbraw/zinc/22/07/32/257220732.db2.gz VGAKTKGQLVPBIN-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Fc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409213927 257220937 /nfs/dbraw/zinc/22/09/37/257220937.db2.gz WHLBTOKIUCVZNF-HYARGMPZSA-N 0 0 305.352 5.155 40 30 DKEBRN Clc1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 ZINC000409214531 257220451 /nfs/dbraw/zinc/22/04/51/257220451.db2.gz VQYJVNSADOPEJF-HMAPJEAMSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(C)cc2)cc1 ZINC000409214854 257220835 /nfs/dbraw/zinc/22/08/35/257220835.db2.gz VADAVPCWMCSEKO-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Cc1ccccc1/N=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000409214951 257220445 /nfs/dbraw/zinc/22/04/45/257220445.db2.gz VJYHLUCGLJWDTD-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccccc3)c2)c1C ZINC000409215056 257220943 /nfs/dbraw/zinc/22/09/43/257220943.db2.gz ZLUXQTZRPHUFFW-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN Fc1ccccc1COc1cccc(/C=N\c2ccccc2)c1 ZINC000409215151 257220616 /nfs/dbraw/zinc/22/06/16/257220616.db2.gz ZZKOTLSGRFTLAL-HMAPJEAMSA-N 0 0 305.352 5.155 40 30 DKEBRN Clc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1 ZINC000409215283 257220524 /nfs/dbraw/zinc/22/05/24/257220524.db2.gz WUAIKIXQFGLVEQ-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1cc(Cl)ccc1C ZINC000409215495 257220830 /nfs/dbraw/zinc/22/08/30/257220830.db2.gz ZWKVMENJIAPDKT-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000409215516 257220792 /nfs/dbraw/zinc/22/07/92/257220792.db2.gz AHPBJDMQONXRCR-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3)cc2)cc1 ZINC000409215867 257220798 /nfs/dbraw/zinc/22/07/98/257220798.db2.gz BTUCADGOWUWCSN-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Clc1ccccc1COc1ccccc1/C=N/c1ccccc1 ZINC000409215869 257220470 /nfs/dbraw/zinc/22/04/70/257220470.db2.gz BUPJOLXUZBSEPS-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN C#CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409216100 257220646 /nfs/dbraw/zinc/22/06/46/257220646.db2.gz DUMIIYQNPUIRSM-RGVLZGJSSA-N 0 0 318.203 5.064 40 30 DKEBRN Cc1ccc(COc2cccc(/C=N\c3ccccc3C)c2)cc1 ZINC000409216624 257220745 /nfs/dbraw/zinc/22/07/45/257220745.db2.gz KDAIDPZENYQFQC-HAHDFKILSA-N 0 0 315.416 5.633 40 30 DKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1 ZINC000409216714 257220701 /nfs/dbraw/zinc/22/07/01/257220701.db2.gz KNCWBGXFDUSICZ-HYARGMPZSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccccc2)c1C ZINC000409217345 257220517 /nfs/dbraw/zinc/22/05/17/257220517.db2.gz PIHLIUONBKEEHD-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Cc1ccc(COc2ccc(/C=N/c3ccccc3C)cc2)cc1 ZINC000409217378 257220489 /nfs/dbraw/zinc/22/04/89/257220489.db2.gz PQSUGJITWAYGPR-HZHRSRAPSA-N 0 0 315.416 5.633 40 30 DKEBRN Cc1ccc(COc2cccc(/C=N\c3ccccc3)c2)cc1 ZINC000409217437 257220597 /nfs/dbraw/zinc/22/05/97/257220597.db2.gz UXBKMVXFESPRKS-JCMHNJIXSA-N 0 0 301.389 5.325 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000409217439 257220638 /nfs/dbraw/zinc/22/06/38/257220638.db2.gz UXPLXSNUVSCMMA-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1 ZINC000409217468 257220561 /nfs/dbraw/zinc/22/05/61/257220561.db2.gz VSHLSTFCQYWYSS-KQWNVCNZSA-N 0 0 315.416 5.579 40 30 DKEBRN C=CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000409217878 257220881 /nfs/dbraw/zinc/22/08/81/257220881.db2.gz XXDFTHIMCPBFKX-RGVLZGJSSA-N 0 0 320.219 5.617 40 30 DKEBRN Cc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409218485 257220499 /nfs/dbraw/zinc/22/04/99/257220499.db2.gz VOURZDBKBAYWLX-PXLXIMEGSA-N 0 0 301.389 5.325 40 30 DKEBRN Clc1ccccc1COc1cccc(/C=N\c2ccccc2)c1 ZINC000409219990 257220714 /nfs/dbraw/zinc/22/07/14/257220714.db2.gz WZNZCLWFEXSUBF-HMAPJEAMSA-N 0 0 321.807 5.670 40 30 DKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 ZINC000409220228 257220634 /nfs/dbraw/zinc/22/06/34/257220634.db2.gz ZPFDFSSYFJOQGT-UCQKPKSFSA-N 0 0 319.379 5.464 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(O)cc3)cc2)cc1 ZINC000409220616 257220490 /nfs/dbraw/zinc/22/04/90/257220490.db2.gz CHCAIHWIDBRKOV-KGENOOAVSA-N 0 0 319.429 5.602 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N/c3cccc(F)c3)cc2)cc1 ZINC000409228809 257220677 /nfs/dbraw/zinc/22/06/77/257220677.db2.gz FMRKYJLZKPMJKD-HYARGMPZSA-N 0 0 321.420 6.036 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3)cc2)cc1 ZINC000409234427 257220781 /nfs/dbraw/zinc/22/07/81/257220781.db2.gz WNPGBUYEUWOUIC-HYARGMPZSA-N 0 0 321.420 6.036 40 30 DKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(C)cc1C ZINC000409235541 257220644 /nfs/dbraw/zinc/22/06/44/257220644.db2.gz CCNWXAMEBNVRGO-JCMHNJIXSA-N 0 0 322.452 5.053 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000409235679 257220667 /nfs/dbraw/zinc/22/06/67/257220667.db2.gz PRMOLXYQFOGSKG-WSDLNYQXSA-N 0 0 323.827 5.202 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3F)cc2)cc1 ZINC000409236169 257220850 /nfs/dbraw/zinc/22/08/50/257220850.db2.gz RPQUIATYESUURB-HMAPJEAMSA-N 0 0 321.420 6.036 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccccc3)cc2)cc1 ZINC000409240021 257220468 /nfs/dbraw/zinc/22/04/68/257220468.db2.gz NXLDCGGAVFKXIW-RCCKNPSSSA-N 0 0 303.430 5.897 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc(O)c3)cc2)cc1 ZINC000409240025 257220586 /nfs/dbraw/zinc/22/05/86/257220586.db2.gz PFZCPKMVUKPRQF-STZFKDTASA-N 0 0 319.429 5.602 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc(C)c3)cc2)cc1 ZINC000409240649 257220603 /nfs/dbraw/zinc/22/06/03/257220603.db2.gz QVFONYCLMDVZGZ-JCMHNJIXSA-N 0 0 317.457 6.205 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3C)cc2)cc1 ZINC000409242733 257220628 /nfs/dbraw/zinc/22/06/28/257220628.db2.gz STOWYRIHWFOZCN-JCMHNJIXSA-N 0 0 317.457 6.205 40 30 DKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccccn1 ZINC000409242735 257220933 /nfs/dbraw/zinc/22/09/33/257220933.db2.gz STPPANHPZCHPMR-OEAKJJBVSA-N 0 0 317.436 5.363 40 30 DKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1cc(C)ccc1C ZINC000409243289 257220025 /nfs/dbraw/zinc/22/00/25/257220025.db2.gz RNWIXNJRYLESQC-JCMHNJIXSA-N 0 0 322.452 5.053 40 30 DKEBRN Cc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409243946 257220217 /nfs/dbraw/zinc/22/02/17/257220217.db2.gz ZKBVDOPTHGLWFV-PXLXIMEGSA-N 0 0 317.457 6.205 40 30 DKEBRN Cc1ccc(Sc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000409246226 257220164 /nfs/dbraw/zinc/22/01/64/257220164.db2.gz GQLOHPXMEICIIG-RCCKNPSSSA-N 0 0 318.445 5.592 40 30 DKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3O)cc2)cc1 ZINC000409246703 257219986 /nfs/dbraw/zinc/21/99/86/257219986.db2.gz AOIKBOZBDOMOFL-STZFKDTASA-N 0 0 319.429 5.602 40 30 DKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccccn1 ZINC000409248814 257219975 /nfs/dbraw/zinc/21/99/75/257219975.db2.gz RCDOURGPWTXTAM-WSDLNYQXSA-N 0 0 323.827 5.202 40 30 DKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C)c(C)c1 ZINC000409251290 257220052 /nfs/dbraw/zinc/22/00/52/257220052.db2.gz UPUBLOFQEUYZBB-PXLXIMEGSA-N 0 0 322.452 5.053 40 30 DKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccccn1 ZINC000409254201 257220032 /nfs/dbraw/zinc/22/00/32/257220032.db2.gz VZGITQMXWDDORR-WSDLNYQXSA-N 0 0 323.827 5.202 40 30 DKEBRN CC(C)Oc1ccc2ccccc2c1C=NNc1ccccc1 ZINC000409270698 257220170 /nfs/dbraw/zinc/22/01/70/257220170.db2.gz HERQKGHLBZQIAX-KGENOOAVSA-N 0 0 304.393 5.073 40 30 DKEBRN O=C1CCCCCC1=CNc1ccc(N=Nc2ccccc2)cc1 ZINC000409347059 257220015 /nfs/dbraw/zinc/22/00/15/257220015.db2.gz NOXBZSAFTQIQLV-DJUVAELLSA-N 0 0 319.408 5.931 40 30 DKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Cl)c(Cl)c1 ZINC000409352576 257220254 /nfs/dbraw/zinc/22/02/54/257220254.db2.gz DKIWTMFNPSVQGF-VQHVLOKHSA-N 0 0 310.180 5.093 40 30 DKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1cc(Cl)cc(Cl)c1 ZINC000409354325 257220358 /nfs/dbraw/zinc/22/03/58/257220358.db2.gz CFSIBMBFJPDYEG-WEVVVXLNSA-N 0 0 310.180 5.093 40 30 DKEBRN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1cccs1 ZINC000409359093 257220066 /nfs/dbraw/zinc/22/00/66/257220066.db2.gz VSYRTUFNEBTOAE-OUKQBFOZSA-N 0 0 321.401 5.349 40 30 DKEBRN CCCCCc1ccc(C(=O)C=CNc2cccc(OC)c2)cc1 ZINC000409362890 257220177 /nfs/dbraw/zinc/22/01/77/257220177.db2.gz TWTBHTPFYMZFRN-CCEZHUSRSA-N 0 0 323.436 5.236 40 30 DKEBRN CCCCCc1ccc(C(=O)C=CNc2ccc(OC)cc2)cc1 ZINC000409362984 257220256 /nfs/dbraw/zinc/22/02/56/257220256.db2.gz HVABXQIYESERMA-FOCLMDBBSA-N 0 0 323.436 5.236 40 30 DKEBRN O=C1c2ccccc2C/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000409367887 257219994 /nfs/dbraw/zinc/21/99/94/257219994.db2.gz JASCUYQAXJWMRU-NTCAYCPXSA-N 0 0 320.775 5.422 40 30 DKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2)cc1OC ZINC000409380153 257220086 /nfs/dbraw/zinc/22/00/86/257220086.db2.gz JICXRYGQEBHGEL-DZUMZMOTSA-N 0 0 317.816 5.277 40 30 DKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2)cc1OC ZINC000409380154 257219988 /nfs/dbraw/zinc/21/99/88/257219988.db2.gz JICXRYGQEBHGEL-HMHKGCENSA-N 0 0 317.816 5.277 40 30 DKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccc(C)cc1C ZINC000584905930 563860991 /nfs/dbraw/zinc/86/09/91/563860991.db2.gz KMNDRHKCWBQFJW-UHFFFAOYSA-N 0 0 320.461 5.252 40 30 DKEBRN CC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000685937243 563927076 /nfs/dbraw/zinc/92/70/76/563927076.db2.gz DDBIWQIWYRTYFY-NSCUHMNNSA-N 0 0 321.203 5.175 40 30 DKEBRN CC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000685937670 563927044 /nfs/dbraw/zinc/92/70/44/563927044.db2.gz NFUKXVYMEINBAK-NSCUHMNNSA-N 0 0 321.203 5.175 40 30 DKEBRN CC(=O)/C=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000685937692 563927067 /nfs/dbraw/zinc/92/70/67/563927067.db2.gz OJYXKXMMERIOCT-AATRIKPKSA-N 0 0 321.203 5.175 40 30 DKEBRN CC(=O)/C=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000685937825 563926963 /nfs/dbraw/zinc/92/69/63/563926963.db2.gz UTKYVVLZTXCILW-MDZDMXLPSA-N 0 0 302.373 5.021 40 30 DKEBRN