smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C)c(-c2nc(NC(=O)c3c(C)onc3C(C)C)sc2C)cc1C ZINC000012193763 209916680 /nfs/dbraw/zinc/91/66/80/209916680.db2.gz LMPLWIJACFFPRQ-UHFFFAOYSA-N 0 0 399.516 5.416 40 0 GKABRN Cc1cc2c(N)c(C(=O)N(C)Cc3ccccc3)sc2nc1-c1ccccc1 ZINC000261526885 222781876 /nfs/dbraw/zinc/78/18/76/222781876.db2.gz OJZRKMMCQOSLKP-UHFFFAOYSA-N 0 0 387.508 5.126 40 0 GKABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2ccncc2)n1 ZINC000328957675 222806233 /nfs/dbraw/zinc/80/62/33/222806233.db2.gz AKRIUWFWTSJFSE-QGZVFWFLSA-N 0 0 375.520 5.346 40 0 GKABRN CCc1cccc(C)c1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007700420 209740343 /nfs/dbraw/zinc/74/03/43/209740343.db2.gz CUMIKSLJGIHLIQ-UHFFFAOYSA-N 0 0 379.887 6.042 40 0 GKABRN CCCCOC(=O)c1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1Cl ZINC000006246039 209638568 /nfs/dbraw/zinc/63/85/68/209638568.db2.gz SXIWMQZZZJKVCL-UHFFFAOYSA-N 0 0 398.890 5.199 40 0 GKABRN Fc1ccccc1[C@H]1CC(c2ccc3ccccc3c2)=Nc2ccccc2S1 ZINC000005810693 209615920 /nfs/dbraw/zinc/61/59/20/209615920.db2.gz WXTPJZLDXSZFPY-RUZDIDTESA-N 0 0 383.491 7.337 40 0 in-vivo GKABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(Br)c(C)c1 ZINC000005755998 209614352 /nfs/dbraw/zinc/61/43/52/209614352.db2.gz PCBKPFLWNIBVOK-UHFFFAOYSA-N 0 0 376.294 5.207 40 0 GKABRN S=c1ccn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=S)[nH]1 ZINC000005604447 209604758 /nfs/dbraw/zinc/60/47/58/209604758.db2.gz UUIFPULIFHFZEU-UHFFFAOYSA-N 0 0 379.535 6.055 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)Nc3cccc4ccccc43)ccc21 ZINC000005328044 209587038 /nfs/dbraw/zinc/58/70/38/209587038.db2.gz NSZFXOKAUQCDCB-UHFFFAOYSA-N 0 0 379.463 6.612 40 0 GKABRN CC[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000004663435 209506791 /nfs/dbraw/zinc/50/67/91/209506791.db2.gz GLNVZQXUYKDTJH-BPUDTRNYSA-N 0 0 384.523 6.159 40 0 GKABRN CCOP(=O)(OCC)[C@](C)(CC)NC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004473824 209487577 /nfs/dbraw/zinc/48/75/77/209487577.db2.gz JTTQLTRMPVXLNS-OAHLLOKOSA-N 0 0 397.239 5.507 40 0 GKABRN Clc1cc2c(c(Cl)c1Cl)Oc1cc(Cl)c(Cl)c(Cl)c1O2 ZINC000002565414 209369189 /nfs/dbraw/zinc/36/91/89/209369189.db2.gz YCLUIPQDHHPDJJ-UHFFFAOYSA-N 0 0 390.864 7.505 40 0 in-vitro GKABRN Clc1ccc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c1Cl ZINC000002569349 209369226 /nfs/dbraw/zinc/36/92/26/209369226.db2.gz HGMYRFJAJNYBRX-UHFFFAOYSA-N 0 0 395.327 7.927 40 0 GKABRN CC[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000002277288 209353596 /nfs/dbraw/zinc/35/35/96/209353596.db2.gz GLNVZQXUYKDTJH-CKUXNOBLSA-N 0 0 384.523 6.159 40 0 GKABRN CC(=O)C[C@@]1(c2ccccc2)C=C(c2ccccc2)C=C(c2ccccc2)S1 ZINC000002146338 209347617 /nfs/dbraw/zinc/34/76/17/209347617.db2.gz ROEBWGZQOWFHTE-SANMLTNESA-N 0 0 382.528 6.733 40 0 GKABRN CCCCC(=O)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl ZINC000001838780 209341582 /nfs/dbraw/zinc/34/15/82/209341582.db2.gz RPPOFXNCLGEVKD-CQSZACIVSA-N 0 0 384.907 6.790 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 ZINC000001862966 209340739 /nfs/dbraw/zinc/34/07/39/209340739.db2.gz VWBYHZNFUNOJGE-UHFFFAOYSA-N 0 0 384.479 6.487 40 0 GKABRN CCCC[C@H]1CCCCCCc2[nH]c(/C=C3\N=C(c4ccc[nH]4)C=C3OC)cc21 ZINC000001767002 209338996 /nfs/dbraw/zinc/33/89/96/209338996.db2.gz VKFOCULFEFSDPI-WSLHGYQHSA-N 0 0 391.559 6.497 40 0 GKABRN Cc1cc(OC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)cc1Cl ZINC000001754106 209338084 /nfs/dbraw/zinc/33/80/84/209338084.db2.gz WGLQUVSICMVYKB-UHFFFAOYSA-N 0 0 378.177 6.240 40 0 GKABRN CCOC(=O)C(C)(c1c(C)n(C)c2ccccc21)c1c(C)n(C)c2ccccc21 ZINC000001691948 209336959 /nfs/dbraw/zinc/33/69/59/209336959.db2.gz DGXQVIINVUULQZ-UHFFFAOYSA-N 0 0 388.511 5.156 40 0 GKABRN O=C(Nc1ccc(C(Cl)(Cl)Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000001741749 209336674 /nfs/dbraw/zinc/33/66/74/209336674.db2.gz XFYUVWZWVXKRPR-UHFFFAOYSA-N 0 0 398.504 6.464 40 0 GKABRN O=C(Nc1ccccc1)Oc1ccc(OC(=O)Nc2ccccc2)c(Cl)c1 ZINC000001732158 209336679 /nfs/dbraw/zinc/33/66/79/209336679.db2.gz NWHHBAPXNZSHMZ-UHFFFAOYSA-N 0 0 382.803 5.562 40 0 GKABRN Cc1cc(Cl)ccc1OC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001732185 209336741 /nfs/dbraw/zinc/33/67/41/209336741.db2.gz JXXGDOGTFKPNMP-UHFFFAOYSA-N 0 0 380.054 5.593 40 0 GKABRN C[C@@H]1c2c(ccc3ccccc32)CC[C@H]1Cc1cccc2ccc3c(c21)C=CCC3 ZINC000001632954 209334782 /nfs/dbraw/zinc/33/47/82/209334782.db2.gz FXSTVZXKIPACLS-CPJSRVTESA-N 0 0 388.554 7.861 40 0 GKABRN Cc1cc2nc(CCN(C(=O)Nc3cccc(F)c3)C3CCCC3)[nH]c2cc1C ZINC000001360862 209323244 /nfs/dbraw/zinc/32/32/44/209323244.db2.gz UNTWIHQKKUNSDO-UHFFFAOYSA-N 0 0 394.494 5.338 40 0 GKABRN CSc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 ZINC000001360713 209322027 /nfs/dbraw/zinc/32/20/27/209322027.db2.gz SUWCTENKLKPQRH-UHFFFAOYSA-N 0 0 394.544 5.304 40 0 GKABRN Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c1C ZINC000001332869 209318788 /nfs/dbraw/zinc/31/87/88/209318788.db2.gz UGWAHFGKVYCOCO-UHFFFAOYSA-N 0 0 391.496 5.427 40 0 GKABRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccco4)c3)nc2c1 ZINC000001262345 209317680 /nfs/dbraw/zinc/31/76/80/209317680.db2.gz RURJFPUVQBFYMS-CYBMUJFWSA-N 0 0 394.858 6.507 40 0 GKABRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(Cl)cc1 ZINC000001085369 209297679 /nfs/dbraw/zinc/29/76/79/209297679.db2.gz FOHMERSMEQEAEH-UHFFFAOYSA-N 0 0 383.234 6.054 40 0 GKABRN COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1OC ZINC000000905439 209278291 /nfs/dbraw/zinc/27/82/91/209278291.db2.gz VQVWWDIUEZBEOY-UHFFFAOYSA-N 0 0 397.283 5.353 40 0 GKABRN Clc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N3[C@@H]2[C@@H]3c2ccccc2)cc1 ZINC000034895786 209262771 /nfs/dbraw/zinc/26/27/71/209262771.db2.gz JHQYJDJZYHYJDQ-JJYZUEOJSA-N 0 0 379.290 5.920 40 0 GKABRN CCOc1cc(C)c2cc(Cc3ccc4nc(OCC)cc(C)c4c3)ccc2n1 ZINC000001873687 212258754 /nfs/dbraw/zinc/25/87/54/212258754.db2.gz GUEQUECJJWQNTF-UHFFFAOYSA-N 0 0 386.495 5.788 40 0 GKABRN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 ZINC000001840506 212258463 /nfs/dbraw/zinc/25/84/63/212258463.db2.gz ZECCTYHWNHECMF-UTSBKAFOSA-N 0 0 378.299 6.167 40 0 GKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4C)c3)nc2c1 ZINC000001840292 212258104 /nfs/dbraw/zinc/25/81/04/212258104.db2.gz VHYJRTCRMNMFQE-KRWDZBQOSA-N 0 0 398.506 6.877 40 0 GKABRN Cc1cc(C)c(C(=O)Oc2ccc(C)c(CC(Cl)(Cl)Cl)c2)c(C)c1 ZINC000001632901 212252289 /nfs/dbraw/zinc/25/22/89/212252289.db2.gz MJTTWFMGGJALGR-UHFFFAOYSA-N 0 0 385.718 6.052 40 0 GKABRN CCC(O)([C@H](c1ccccc1)c1ccccn1)[C@@H](c1ccccc1)c1ccccn1 ZINC000001675627 212254278 /nfs/dbraw/zinc/25/42/78/212254278.db2.gz HHLUWWKZURSJEJ-ZVBBVAIHSA-N 0 0 394.518 5.582 40 0 GKABRN O=C(Nc1ccc2c(c1)CCC2)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000001703256 212254436 /nfs/dbraw/zinc/25/44/36/212254436.db2.gz IZDRSKQZOAXFQO-UHFFFAOYSA-N 0 0 396.490 5.169 40 0 GKABRN O=C1O[C@@](c2ccccc2)(N(Nc2ccccc2)c2ccccc2)c2ccccc21 ZINC000001723166 212254089 /nfs/dbraw/zinc/25/40/89/212254089.db2.gz PQDYUISLXFIFGC-AREMUKBSSA-N 0 0 392.458 5.592 40 0 GKABRN O=C(Nc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001672885 212253685 /nfs/dbraw/zinc/25/36/85/212253685.db2.gz WQEBQCOHDAWORA-UHFFFAOYSA-N 0 0 385.461 6.565 40 0 GKABRN c1ccc(CSC(SCc2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000001636934 212252991 /nfs/dbraw/zinc/25/29/91/212252991.db2.gz KWUQLYZNZIXVAZ-UHFFFAOYSA-N 0 0 380.534 6.281 40 0 GKABRN Cc1cc(C2=C(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)C(C)(C)CC(C)(C)C2)ccc1F ZINC000002020500 212262038 /nfs/dbraw/zinc/26/20/38/212262038.db2.gz VDSBXXDKCUBMQC-HNGSOEQISA-N 0 0 386.507 5.357 40 0 investigational GKABRN CC(C)=C[C@@H]1[C@H](C(=O)SCc2cc3c(cc2Br)OCO3)C1(C)C ZINC000001664966 212251471 /nfs/dbraw/zinc/25/14/71/212251471.db2.gz LAAYIMHOPMOCQA-MLGOLLRUSA-N 0 0 397.334 5.176 40 0 GKABRN c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000001603216 212251122 /nfs/dbraw/zinc/25/11/22/212251122.db2.gz MAGZFRRCWFGSHK-UHFFFAOYSA-N 0 0 382.506 8.355 40 0 GKABRN CC1CCN(C(=O)c2cc(Nc3ccnc4cc(Cl)ccc43)ccc2O)CC1 ZINC000001607631 212251127 /nfs/dbraw/zinc/25/11/27/212251127.db2.gz GXECQAGLPLEPHY-UHFFFAOYSA-N 0 0 395.890 5.210 40 0 GKABRN S=C(Cc1cccc2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001604154 212250643 /nfs/dbraw/zinc/25/06/43/212250643.db2.gz USOAJTFJRWNMDQ-UHFFFAOYSA-N 0 0 380.944 5.185 40 0 GKABRN COc1ccc(OC)c(N[C@@H](Cc2ccccc2)c2cccc3ccccc32)c1 ZINC000001595959 212250242 /nfs/dbraw/zinc/25/02/42/212250242.db2.gz JNUXTUHKHFAKQW-DEOSSOPVSA-N 0 0 383.491 6.253 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc3nn(-c4cccc5ccccc54)nc3c2)c(C)c1 ZINC000001266774 212233695 /nfs/dbraw/zinc/23/36/95/212233695.db2.gz ZAQNCMNMSOXSJS-UHFFFAOYSA-N 0 0 392.462 5.443 40 0 GKABRN O=C(Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)N1CCCCC1 ZINC000041127668 209194882 /nfs/dbraw/zinc/19/48/82/209194882.db2.gz KWWVSQVJWXKXOH-UHFFFAOYSA-N 0 0 389.282 5.357 40 0 GKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000030729197 209192227 /nfs/dbraw/zinc/19/22/27/209192227.db2.gz UIMGHSAOLFTOBF-DPAQBDIFSA-N 0 0 386.664 7.389 40 0 in-vitro GKABRN CCN(C(=O)C(F)(F)F)c1cc2nc(-c3cccc(Cl)c3)oc2c(C)c1 ZINC000226282869 209188281 /nfs/dbraw/zinc/18/82/81/209188281.db2.gz MREZBKJAMUKKSY-UHFFFAOYSA-N 0 0 382.769 5.372 40 0 GKABRN O=C(Nc1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1)C(F)(F)F ZINC000226269675 209188112 /nfs/dbraw/zinc/18/81/12/209188112.db2.gz WHNVKEOBQPVMHD-UHFFFAOYSA-N 0 0 382.341 5.663 40 0 GKABRN C[C@@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000225072367 209187760 /nfs/dbraw/zinc/18/77/60/209187760.db2.gz XFTXOOJEHPTAHH-GFCCVEGCSA-N 0 0 394.740 5.891 40 0 GKABRN Clc1ccccc1CN1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 ZINC000226245859 209187646 /nfs/dbraw/zinc/18/76/46/209187646.db2.gz WCNQJWKQDGAUQP-UHFFFAOYSA-N 0 0 386.326 5.106 40 0 GKABRN CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000226282135 209186741 /nfs/dbraw/zinc/18/67/41/209186741.db2.gz HYSWFHDYYJJYON-UHFFFAOYSA-N 0 0 384.357 5.563 40 0 GKABRN COc1c(Cl)ccc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000944908 212198694 /nfs/dbraw/zinc/19/86/94/212198694.db2.gz BIMCDWSXQDIGEY-UHFFFAOYSA-N 0 0 398.595 5.927 40 0 GKABRN CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CCCCC3)cc1 ZINC000000722310 212178141 /nfs/dbraw/zinc/17/81/41/212178141.db2.gz VSLUIINRVRQHHS-UHFFFAOYSA-N 0 0 386.517 5.017 40 0 GKABRN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC=C2n1cnc2ccccc21 ZINC000256450319 212140456 /nfs/dbraw/zinc/14/04/56/212140456.db2.gz PAFKTGFSEFKSQG-PSWJACPDSA-N 0 0 388.555 5.811 40 0 in-vitro GKABRN Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(C(C)(C)C)ccc2O)cc1 ZINC000057339420 212132162 /nfs/dbraw/zinc/13/21/62/212132162.db2.gz WJFHGVNDZKUVSE-HSZRJFAPSA-N 0 0 399.490 5.583 40 0 GKABRN C[C@H]1CCCCN1C(=O)c1cc(Cl)c(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC000045919963 212118279 /nfs/dbraw/zinc/11/82/79/212118279.db2.gz VXTBPTQHXVUVHQ-KBPBESRZSA-N 0 0 397.346 5.023 40 0 GKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000039282372 212118328 /nfs/dbraw/zinc/11/83/28/212118328.db2.gz YXZVCZUDUJEPPK-ARCWCCGYSA-N 0 0 390.608 5.596 40 0 in-vitro GKABRN CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005359493 212116987 /nfs/dbraw/zinc/11/69/87/212116987.db2.gz UPGTYLFCVNHBTN-OFAYOZIESA-N 0 0 384.648 7.165 40 0 GKABRN C[C@H]1CCCCN1C(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000041127560 212119080 /nfs/dbraw/zinc/11/90/80/212119080.db2.gz YWDROQFDSHDAEC-LBPRGKRZSA-N 0 0 389.282 5.816 40 0 GKABRN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226287923 212115331 /nfs/dbraw/zinc/11/53/31/212115331.db2.gz PWQLDNTUGGDXAQ-UHFFFAOYSA-N 0 0 398.506 5.705 40 0 GKABRN O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000226286515 212115278 /nfs/dbraw/zinc/11/52/78/212115278.db2.gz RTHNRULBZRAZGA-UHFFFAOYSA-N 0 0 395.245 5.962 40 0 GKABRN O=C1c2ccccc2CN1c1ccc2nc(-c3cc(Cl)ccc3Cl)oc2c1 ZINC000226287079 212114775 /nfs/dbraw/zinc/11/47/75/212114775.db2.gz HMOZNEBYOZIHEH-UHFFFAOYSA-N 0 0 395.245 5.962 40 0 GKABRN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)c(Cl)c3)oc21 ZINC000226271445 212114081 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CC(C)C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000038756991 205038915 /nfs/dbraw/zinc/03/89/15/205038915.db2.gz RGIAIEMVOURFBS-SFHVURJKSA-N 0 0 386.344 5.200 40 0 GKABRN O=C(Nc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000038833776 205039298 /nfs/dbraw/zinc/03/92/98/205039298.db2.gz LGVRBZMEJHUHLH-UHFFFAOYSA-N 0 0 397.733 5.498 40 0 GKABRN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000039858245 205043747 /nfs/dbraw/zinc/04/37/47/205043747.db2.gz GKMFWAHTOVUGNH-VIFPVBQESA-N 0 0 389.076 5.162 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C ZINC000224372294 211862338 /nfs/dbraw/zinc/86/23/38/211862338.db2.gz XUSLZHZTIUULMX-UHFFFAOYSA-N 0 0 395.886 5.878 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C ZINC000224371437 211862298 /nfs/dbraw/zinc/86/22/98/211862298.db2.gz WTEFWCKTHGDRBZ-UHFFFAOYSA-N 0 0 389.495 5.842 40 0 GKABRN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000027922015 211861560 /nfs/dbraw/zinc/86/15/60/211861560.db2.gz PAUKWKYDWMJPDX-UHFFFAOYSA-N 0 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CC[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(C)c1 ZINC000044899783 205089644 /nfs/dbraw/zinc/08/96/44/205089644.db2.gz ZDWAUNODEWSHHB-QFIPXVFZSA-N 0 0 393.552 5.355 40 0 GKABRN CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)cc1 ZINC000044901082 205090099 /nfs/dbraw/zinc/09/00/99/205090099.db2.gz YLJLCSKIZBSNQC-QFIPXVFZSA-N 0 0 391.536 5.869 40 0 GKABRN COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 ZINC000224192470 211855103 /nfs/dbraw/zinc/85/51/03/211855103.db2.gz GFMKLQMPTFUSTJ-UHFFFAOYSA-N 0 0 379.431 5.282 40 0 GKABRN CCOc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 ZINC000224326559 211859667 /nfs/dbraw/zinc/85/96/67/211859667.db2.gz DRMGOUNKUGWTAN-UHFFFAOYSA-N 0 0 393.508 5.639 40 0 GKABRN Cc1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 ZINC000040942410 205075423 /nfs/dbraw/zinc/07/54/23/205075423.db2.gz AEEHMPDCDSLASK-UHFFFAOYSA-N 0 0 376.294 5.207 40 0 GKABRN CCCCc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000041019196 205076716 /nfs/dbraw/zinc/07/67/16/205076716.db2.gz FXRDBBKZROQULK-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/85/33/80/211853380.db2.gz LQUPEUFOVHEOJS-UHFFFAOYSA-N 0 0 375.468 5.452 40 0 GKABRN Cc1cc(C)cc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000224056154 211852522 /nfs/dbraw/zinc/85/25/22/211852522.db2.gz GWLOUMHBLLRMKA-UHFFFAOYSA-N 0 0 398.355 5.039 40 0 GKABRN CCOC(=O)c1c2ccccc2sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000005598570 209123541 /nfs/dbraw/zinc/12/35/41/209123541.db2.gz VFKBTMRVCZDOAR-UHFFFAOYSA-N 0 0 383.513 5.233 40 0 GKABRN CC(C)(C)c1ccccc1OCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000223670247 211839991 /nfs/dbraw/zinc/83/99/91/211839991.db2.gz TVINPQVVBRYOIV-BSYVCWPDSA-N 0 0 399.534 5.720 40 0 GKABRN COc1ccc(Cl)cc1NC(=O)CSCc1ccc(Cl)cc1Cl ZINC000059313163 205178430 /nfs/dbraw/zinc/17/84/30/205178430.db2.gz MZTNAGQOKUDGQZ-UHFFFAOYSA-N 0 0 390.719 5.527 40 0 GKABRN O=C(Nc1cccc2ccccc21)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005214436 209122054 /nfs/dbraw/zinc/12/20/54/209122054.db2.gz SYQFWYTWKZRUTR-UHFFFAOYSA-N 0 0 385.850 5.977 40 0 GKABRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1 ZINC000223784570 211843589 /nfs/dbraw/zinc/84/35/89/211843589.db2.gz JUTKYESBDAHKMD-MOPGFXCFSA-N 0 0 395.553 5.027 40 0 GKABRN CCOC(=O)CCn1nc(-c2ccc(C)c(C)c2)c(C)c1-c1ccc(C)c(C)c1 ZINC000002733529 209116579 /nfs/dbraw/zinc/11/65/79/209116579.db2.gz AXXLBFWHXQFYCL-UHFFFAOYSA-N 0 0 390.527 5.712 40 0 GKABRN O=C(c1ccccc1)C(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000077273517 209114320 /nfs/dbraw/zinc/11/43/20/209114320.db2.gz PAZGBOSFURUZFW-UHFFFAOYSA-N 0 0 380.443 5.315 40 0 in-vitro GKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1 ZINC000223324660 211828724 /nfs/dbraw/zinc/82/87/24/211828724.db2.gz GVDXHKGSKFXELT-IBGZPJMESA-N 0 0 388.305 5.124 40 0 GKABRN Cc1cc(C)c([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C ZINC000223403483 211832481 /nfs/dbraw/zinc/83/24/81/211832481.db2.gz VPPSJEFPZDEYMF-OAHLLOKOSA-N 0 0 379.928 5.515 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 ZINC000072229964 209110709 /nfs/dbraw/zinc/11/07/09/209110709.db2.gz PQDRFFJAKSRDAF-NRFANRHFSA-N 0 0 381.859 5.073 40 0 GKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352529 211830196 /nfs/dbraw/zinc/83/01/96/211830196.db2.gz HVSMRIAAVZLKKY-GCJKJVERSA-N 0 0 383.532 5.470 40 0 GKABRN CC[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000223141300 211823357 /nfs/dbraw/zinc/82/33/57/211823357.db2.gz MIBCDXFMOSBMDP-OAQYLSRUSA-N 0 0 390.354 6.072 40 0 GKABRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc2c(c1)CCCC2 ZINC000223131885 211823046 /nfs/dbraw/zinc/82/30/46/211823046.db2.gz KFQLMQAMTMFKRT-DVECYGJZSA-N 0 0 393.571 6.032 40 0 GKABRN CC[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc2c(c1)CCCC2 ZINC000223144869 211822756 /nfs/dbraw/zinc/82/27/56/211822756.db2.gz DBLNIXGSXFRTOI-FQEVSTJZSA-N 0 0 386.333 5.138 40 0 GKABRN CC(C)c1cc(-c2cc(C(C)C)n(Cc3ccccc3)n2)nn1Cc1ccccc1 ZINC000068603803 205272381 /nfs/dbraw/zinc/27/23/81/205272381.db2.gz KRUJNXGVIJCSQM-UHFFFAOYSA-N 0 0 398.554 6.090 40 0 GKABRN C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 ZINC000222951264 211818028 /nfs/dbraw/zinc/81/80/28/211818028.db2.gz IFDOQPZVWWRCAN-ZDUSSCGKSA-N 0 0 398.355 5.053 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222970998 211816597 /nfs/dbraw/zinc/81/65/97/211816597.db2.gz SUOWGJYDLTZRFC-IQGLISFBSA-N 0 0 387.523 5.753 40 0 GKABRN CCCCCn1cc(C(=O)c2cccc3cc(Cl)ccc32)c2ccccc21 ZINC000071746322 205289129 /nfs/dbraw/zinc/28/91/29/205289129.db2.gz AICJARHUOUQZSH-UHFFFAOYSA-N 0 0 375.899 6.869 40 0 in-vitro GKABRN COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000071761813 205292758 /nfs/dbraw/zinc/29/27/58/205292758.db2.gz IIIPNLZMPWJBOQ-UHFFFAOYSA-N 0 0 384.888 5.950 40 0 GKABRN COc1cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c(OC)cc1Cl ZINC000071761885 205292878 /nfs/dbraw/zinc/29/28/78/205292878.db2.gz KKXSZNAXNYDBKH-UHFFFAOYSA-N 0 0 390.814 5.185 40 0 GKABRN COc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000071761848 205292910 /nfs/dbraw/zinc/29/29/10/205292910.db2.gz 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Cc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Cl ZINC000408624502 533618511 /nfs/dbraw/zinc/61/85/11/533618511.db2.gz XHAAOGKUFUACFW-UHFFFAOYSA-N 0 0 378.884 6.177 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000225148194 533639814 /nfs/dbraw/zinc/63/98/14/533639814.db2.gz YUPWMPNUWSXAEF-KRWDZBQOSA-N 0 0 387.479 6.424 40 0 GKABRN CC(C)c1ccc(C(=O)Nc2cc(N3CCC(C)CC3)c(N)cc2Cl)cc1 ZINC000072229169 136167597 /nfs/dbraw/zinc/16/75/97/136167597.db2.gz HGBNMEDNZDCCOB-UHFFFAOYSA-N 0 0 385.939 5.534 40 0 GKABRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@@H]3C)c(N)cc2Cl)cc1 ZINC000072229174 136167717 /nfs/dbraw/zinc/16/77/17/136167717.db2.gz FJKWCYKUUFVGPW-HNNXBMFYSA-N 0 0 385.939 5.677 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCC[C@H](C)C1 ZINC000226329701 136192487 /nfs/dbraw/zinc/19/24/87/136192487.db2.gz TXBOSBVQJQFLRK-INIZCTEOSA-N 0 0 379.548 5.363 40 0 GKABRN CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000226255075 136192545 /nfs/dbraw/zinc/19/25/45/136192545.db2.gz IHCDNBGCTOLVGD-UHFFFAOYSA-N 0 0 378.303 5.064 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1[C@@H](C)CCC[C@@H]1C ZINC000226329755 136192565 /nfs/dbraw/zinc/19/25/65/136192565.db2.gz RRLCIMQKGHQWOI-ROUUACIJSA-N 0 0 393.575 5.894 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC[C@H]1C ZINC000226330896 136192726 /nfs/dbraw/zinc/19/27/26/136192726.db2.gz PKYDHHQNJFMHMP-CYBMUJFWSA-N 0 0 392.330 5.515 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCC(C)CC1 ZINC000226330838 136192733 /nfs/dbraw/zinc/19/27/33/136192733.db2.gz KSKZFGUCHPRNSW-UHFFFAOYSA-N 0 0 392.330 5.373 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCC[C@@H](C)C1 ZINC000226330844 136192746 /nfs/dbraw/zinc/19/27/46/136192746.db2.gz DRLCPLFPLPLUKX-GFCCVEGCSA-N 0 0 392.330 5.373 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCC[C@H]1C ZINC000226330872 136192756 /nfs/dbraw/zinc/19/27/56/136192756.db2.gz MNGHKALQJXXVBG-CYBMUJFWSA-N 0 0 392.330 5.515 40 0 GKABRN 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UMBLWIUPQNZCNM-UHFFFAOYSA-N 0 0 394.499 6.773 40 0 GKABRN COc1cccc(Oc2ccc(NC(=S)NCCCc3ccccc3)cc2)c1 ZINC000408588723 533678757 /nfs/dbraw/zinc/67/87/57/533678757.db2.gz YDYJDLMYYXAIES-UHFFFAOYSA-N 0 0 392.524 5.407 40 0 GKABRN CC(C)=CCC[C@]1(C)Oc2c(-c3ccccc3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257319614 209073848 /nfs/dbraw/zinc/07/38/48/209073848.db2.gz VTHCXAOOVMNZQW-HOLAQXKLSA-N 0 0 376.540 7.107 40 0 GKABRN Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5)o4)C3)cc21 ZINC000257331359 209075813 /nfs/dbraw/zinc/07/58/13/209075813.db2.gz XSMUWLYIACULAE-LJQANCHMSA-N 0 0 399.494 5.075 40 0 GKABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4)OCC[C@]3(C2)[C@H]1NC(=O)CCC1CCCC1 ZINC000257331692 209076695 /nfs/dbraw/zinc/07/66/95/209076695.db2.gz XTVPHJJMYUEKHR-IRAZMCGKSA-N 0 0 395.587 5.656 40 0 GKABRN COc1ccc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cc1OC ZINC000021307884 221531688 /nfs/dbraw/zinc/53/16/88/221531688.db2.gz UFZUSQFEKOTCQT-UHFFFAOYSA-N 0 0 396.295 5.155 40 0 GKABRN C/C(=C\CO[C@@H]1CCCCO1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000022066853 221551737 /nfs/dbraw/zinc/55/17/37/221551737.db2.gz LZUGECIXUUUMEW-ATIFZKCUSA-N 0 0 380.657 7.915 40 0 in-vitro GKABRN O=C(Nc1cccc2c1CCCC2)c1cccc(OCc2ccccc2Cl)c1 ZINC000022257990 221557099 /nfs/dbraw/zinc/55/70/99/221557099.db2.gz MXGRSKANIVPESJ-UHFFFAOYSA-N 0 0 391.898 6.050 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(F)cc1)[C@@H]2O ZINC000027345268 221651856 /nfs/dbraw/zinc/65/18/56/221651856.db2.gz MHWHZVUXBGKOGH-IFSVKWNISA-N 0 0 382.563 6.613 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c(C)c1 ZINC000030858465 221704196 /nfs/dbraw/zinc/70/41/96/221704196.db2.gz YQYHXNLJBCDPEZ-SFHVURJKSA-N 0 0 391.920 5.335 40 0 GKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(OC(C)C)c1 ZINC000030854712 221705395 /nfs/dbraw/zinc/70/53/95/221705395.db2.gz WEJKKPZQXQSUIO-LJQANCHMSA-N 0 0 377.937 5.314 40 0 GKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000030872200 221706468 /nfs/dbraw/zinc/70/64/68/221706468.db2.gz FKRKBQSWXSIFNU-OAQYLSRUSA-N 0 0 398.550 5.391 40 0 GKABRN CCCOP(=O)(OCCC)[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl ZINC000035185311 221812471 /nfs/dbraw/zinc/81/24/71/221812471.db2.gz DLOMDQYGBHTUPF-CYBMUJFWSA-N 0 0 394.707 5.605 40 0 GKABRN CCOC(=O)c1c(O)c(Br)ccc1/C=C/c1ccc(Cl)s1 ZINC000035973542 221836977 /nfs/dbraw/zinc/83/69/77/221836977.db2.gz SQTZUWAPBHULBR-HWKANZROSA-N 0 0 387.682 5.217 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(C)c1 ZINC000044899784 221956903 /nfs/dbraw/zinc/95/69/03/221956903.db2.gz ZDWAUNODEWSHHB-JOCHJYFZSA-N 0 0 393.552 5.355 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000044885559 221954743 /nfs/dbraw/zinc/95/47/43/221954743.db2.gz LOSXAUQDUNHIKW-RPWUZVMVSA-N 0 0 389.495 5.067 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc(OC)cc1 ZINC000044884632 221954795 /nfs/dbraw/zinc/95/47/95/221954795.db2.gz IRSLTKKSVDQWEG-KXBFYZLASA-N 0 0 375.896 5.000 40 0 GKABRN Cc1ccc([C@@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2)cc1 ZINC000044880547 221954956 /nfs/dbraw/zinc/95/49/56/221954956.db2.gz JXXHWXMIKLWCJW-KHMHUBCMSA-N 0 0 396.317 6.221 40 0 GKABRN CCOc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000044886625 221955500 /nfs/dbraw/zinc/95/55/00/221955500.db2.gz ZNQMQASUOPBXTP-UHFFFAOYSA-N 0 0 393.508 5.509 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 ZINC000044903620 221956299 /nfs/dbraw/zinc/95/62/99/221956299.db2.gz BBBDRPPPFFWYJV-VGOFRKELSA-N 0 0 379.887 5.322 40 0 GKABRN C/C=C\C[C@@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]21 ZINC000067665386 222154594 /nfs/dbraw/zinc/15/45/94/222154594.db2.gz JQKWHVJEOWKMPI-HNUVVDGUSA-N 0 0 388.592 5.846 40 0 in-vitro GKABRN Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000071977946 222201315 /nfs/dbraw/zinc/20/13/15/222201315.db2.gz LTORAYSTAVKYKH-UHFFFAOYSA-N 0 0 395.087 5.462 40 0 GKABRN Nc1nc(-c2cccc(Br)c2)cc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000071977952 222201947 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CC(C)CCNC(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154518 222390711 /nfs/dbraw/zinc/39/07/11/222390711.db2.gz HBPXUSUJLVGKHC-UHFFFAOYSA-N 0 0 391.496 5.394 40 0 GKABRN Clc1ccc(/C=C/c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1 ZINC000096193941 222397411 /nfs/dbraw/zinc/39/74/11/222397411.db2.gz PONPOHXXVQOPKD-JXMROGBWSA-N 0 0 378.844 5.423 40 0 GKABRN Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)c1 ZINC000113933112 222520699 /nfs/dbraw/zinc/52/06/99/222520699.db2.gz SNRWRSAFWWDTGL-OAHLLOKOSA-N 0 0 392.362 5.177 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCc1ccccc1 ZINC000118915143 222523019 /nfs/dbraw/zinc/52/30/19/222523019.db2.gz PIEILCDIERUIOS-NBLSFGMGSA-N 0 0 394.599 5.962 40 0 GKABRN CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118935722 222523307 /nfs/dbraw/zinc/52/33/07/222523307.db2.gz OQCYGRNEHCUDOG-HVCBDKPISA-N 0 0 386.576 5.866 40 0 GKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)c1 ZINC000408697030 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ZINC000408578347 528239991 /nfs/dbraw/zinc/23/99/91/528239991.db2.gz XRLAXANHTJXOEA-UHFFFAOYSA-N 0 0 389.948 5.479 40 0 GKABRN CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(C)cc1 ZINC000409110466 528284277 /nfs/dbraw/zinc/28/42/77/528284277.db2.gz WHGDQMDRYGEMQO-UHFFFAOYSA-N 0 0 375.512 6.202 40 0 GKABRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409113187 528285034 /nfs/dbraw/zinc/28/50/34/528285034.db2.gz HAVTYKWTDZYWHQ-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(C)cc1 ZINC000409112318 528285467 /nfs/dbraw/zinc/28/54/67/528285467.db2.gz LBWMMDLUPHGFCC-UHFFFAOYSA-N 0 0 375.512 6.202 40 0 GKABRN CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 ZINC000409119060 528285503 /nfs/dbraw/zinc/28/55/03/528285503.db2.gz VQNAUYXDAKMTMP-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000409136392 528285761 /nfs/dbraw/zinc/28/57/61/528285761.db2.gz UGSACJVZGBLEGY-UHFFFAOYSA-N 0 0 395.930 6.492 40 0 GKABRN CCOc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCC ZINC000409121643 528285919 /nfs/dbraw/zinc/28/59/19/528285919.db2.gz XNFSQPUAAFWMQD-UHFFFAOYSA-N 0 0 398.728 5.820 40 0 GKABRN CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000106982590 528285940 /nfs/dbraw/zinc/28/59/40/528285940.db2.gz YTHDCDBMUJPJJZ-UHFFFAOYSA-N 0 0 399.893 6.377 40 0 GKABRN CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCC ZINC000106971574 528286038 /nfs/dbraw/zinc/28/60/38/528286038.db2.gz CKMSEKRBZNOKPH-UHFFFAOYSA-N 0 0 398.728 5.820 40 0 GKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 ZINC000409111075 528286214 /nfs/dbraw/zinc/28/62/14/528286214.db2.gz AOEITCOLHORWNI-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 ZINC000107043321 528286271 /nfs/dbraw/zinc/28/62/71/528286271.db2.gz OKMILLHBMMZMND-UHFFFAOYSA-N 0 0 397.902 5.938 40 0 GKABRN CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1 ZINC000409112990 528286791 /nfs/dbraw/zinc/28/67/91/528286791.db2.gz DAZXJISUNIGJCV-UHFFFAOYSA-N 0 0 381.903 6.238 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409112593 528287220 /nfs/dbraw/zinc/28/72/20/528287220.db2.gz FEACWLVIUHUSIS-UHFFFAOYSA-N 0 0 399.893 6.377 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1F ZINC000409113375 528287244 /nfs/dbraw/zinc/28/72/44/528287244.db2.gz HRAMIUHNRBOVDJ-UHFFFAOYSA-N 0 0 379.475 6.032 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc(F)c1 ZINC000409114245 528287272 /nfs/dbraw/zinc/28/72/72/528287272.db2.gz GJRSXPHVMBBIQP-UHFFFAOYSA-N 0 0 379.475 6.032 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccccc1Cl ZINC000409117108 528287287 /nfs/dbraw/zinc/28/72/87/528287287.db2.gz QFBRRKRFIKTWEK-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2)ccc1OCc1cccc(Cl)c1 ZINC000409118761 528287554 /nfs/dbraw/zinc/28/75/54/528287554.db2.gz QBIQWKHIXXXHHU-UHFFFAOYSA-N 0 0 381.903 6.238 40 0 GKABRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O ZINC000409110738 528329573 /nfs/dbraw/zinc/32/95/73/528329573.db2.gz GFLFWRDQFBUFMG-ULJHMMPZSA-N 0 0 383.491 5.871 40 0 GKABRN CCCN1c2ccccc2/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000409115393 528330393 /nfs/dbraw/zinc/33/03/93/528330393.db2.gz MHWMJPYQUNXOJD-QJOMJCCJSA-N 0 0 383.491 5.871 40 0 GKABRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2)cc1 ZINC000408675362 528351446 /nfs/dbraw/zinc/35/14/46/528351446.db2.gz HUSCUFBUSPTKIJ-UHFFFAOYSA-N 0 0 398.462 5.135 40 0 GKABRN CCOc1ccc(Br)cc1CNc1ccc(Cl)cc1Cl ZINC000106971333 528375923 /nfs/dbraw/zinc/37/59/23/528375923.db2.gz GOUFLZBKBBKKMD-UHFFFAOYSA-N 0 0 375.093 5.767 40 0 GKABRN CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118928107 528377811 /nfs/dbraw/zinc/37/78/11/528377811.db2.gz PMRDJYSYMUJMKE-LVJLZHBVSA-N 0 0 396.659 7.475 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC ZINC000408619510 528407090 /nfs/dbraw/zinc/40/70/90/528407090.db2.gz ITVLUHFEFFESMC-UHFFFAOYSA-N 0 0 377.440 5.447 40 0 GKABRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000408622011 528430276 /nfs/dbraw/zinc/43/02/76/528430276.db2.gz PDPBLHZZPPGCCC-UHFFFAOYSA-N 0 0 387.266 5.747 40 0 GKABRN CCC(=O)Nc1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 ZINC000408623456 528445173 /nfs/dbraw/zinc/44/51/73/528445173.db2.gz UJWFQXVSLRCVOE-UHFFFAOYSA-N 0 0 380.488 5.100 40 0 GKABRN CCCCN1C(=O)S/C(=C\c2c(OCC)ccc3ccc(OCC)cc32)C1=O ZINC000409060354 528451136 /nfs/dbraw/zinc/45/11/36/528451136.db2.gz QPDSLMFFQMKJII-ZHZULCJRSA-N 0 0 399.512 5.474 40 0 GKABRN CCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409059878 528451306 /nfs/dbraw/zinc/45/13/06/528451306.db2.gz YEDLPARAOPKDOO-STZFKDTASA-N 0 0 390.508 5.526 40 0 GKABRN CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br ZINC000006963924 528465422 /nfs/dbraw/zinc/46/54/22/528465422.db2.gz RTTQPLQATSKZRN-UHFFFAOYSA-N 0 0 375.093 5.767 40 0 GKABRN CCOc1ccc(CNc2ccc(Br)c(Cl)c2)c(OCC)c1 ZINC000408558296 528465460 /nfs/dbraw/zinc/46/54/60/528465460.db2.gz STNVSHRBQMSHMO-UHFFFAOYSA-N 0 0 384.701 5.512 40 0 GKABRN CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408558906 528465537 /nfs/dbraw/zinc/46/55/37/528465537.db2.gz SZPAHNDYOIKOSH-UHFFFAOYSA-N 0 0 384.701 5.512 40 0 GKABRN CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000408586119 528471074 /nfs/dbraw/zinc/47/10/74/528471074.db2.gz LFZIFAPMNFBNCN-UHFFFAOYSA-N 0 0 394.854 5.445 40 0 GKABRN CCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408585128 528471445 /nfs/dbraw/zinc/47/14/45/528471445.db2.gz AREKDNMZHZTCPA-UHFFFAOYSA-N 0 0 389.076 5.407 40 0 GKABRN CCOc1ccc(NC(=O)c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000408551113 528551408 /nfs/dbraw/zinc/55/14/08/528551408.db2.gz BINFCHGMXABBEL-UHFFFAOYSA-N 0 0 391.467 5.234 40 0 GKABRN CCOc1ccc(NCc2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 ZINC000409116714 528553673 /nfs/dbraw/zinc/55/36/73/528553673.db2.gz ONROYCRLMCXCOA-UHFFFAOYSA-N 0 0 395.474 5.814 40 0 GKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2cccc(F)c2)cc1 ZINC000409111031 528554152 /nfs/dbraw/zinc/55/41/52/528554152.db2.gz ASLIRQNBTCPBNB-UHFFFAOYSA-N 0 0 385.866 6.069 40 0 GKABRN CCOc1ccc(NCc2cc(Br)c(OCC)c(OCC)c2)cc1 ZINC000409116752 528554532 /nfs/dbraw/zinc/55/45/32/528554532.db2.gz OPIUOVTXXCQILX-UHFFFAOYSA-N 0 0 394.309 5.257 40 0 GKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2cc(C)cc(C)c2)cc1 ZINC000408564591 528565092 /nfs/dbraw/zinc/56/50/92/528565092.db2.gz XLLSZJLITZHNJM-UHFFFAOYSA-N 0 0 385.529 5.132 40 0 GKABRN CCCOc1c(Br)cc(C(=O)Nc2cccc(F)c2)cc1OCC ZINC000408559305 528611303 /nfs/dbraw/zinc/61/13/03/528611303.db2.gz ZDIXEXFSLXVCIT-UHFFFAOYSA-N 0 0 396.256 5.028 40 0 GKABRN CCCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409128375 528611429 /nfs/dbraw/zinc/61/14/29/528611429.db2.gz FISYQXYJRPJHSC-UHFFFAOYSA-N 0 0 392.337 5.866 40 0 GKABRN CCCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1OCC ZINC000409113967 528611603 /nfs/dbraw/zinc/61/16/03/528611603.db2.gz OZTPXIBAZGQOGS-UHFFFAOYSA-N 0 0 392.337 5.811 40 0 GKABRN CCOc1cccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c1 ZINC000106739774 528627418 /nfs/dbraw/zinc/62/74/18/528627418.db2.gz WXNKHSUVHUVOJA-YVLHZVERSA-N 0 0 391.851 5.114 40 0 GKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC ZINC000408619586 528655394 /nfs/dbraw/zinc/65/53/94/528655394.db2.gz JMDJKCJQCHIVAF-UHFFFAOYSA-N 0 0 391.467 5.837 40 0 GKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000409317775 528657326 /nfs/dbraw/zinc/65/73/26/528657326.db2.gz VPFHAYYGMJBRDQ-HMMYKYKNSA-N 0 0 397.496 5.505 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000408619337 528668870 /nfs/dbraw/zinc/66/88/70/528668870.db2.gz BFDCOXCIPMAXLL-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN CCCCOc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 ZINC000409003683 528668877 /nfs/dbraw/zinc/66/88/77/528668877.db2.gz JSQUBFNJKMLYRH-PDGQHHTCSA-N 0 0 390.266 5.517 40 0 GKABRN CCCCOc1ccc(C(=O)Oc2ccc(-c3cc(C)ccc3C)nn2)cc1 ZINC000408531451 528669020 /nfs/dbraw/zinc/66/90/20/528669020.db2.gz TXOMHIXVVOUART-UHFFFAOYSA-N 0 0 376.456 5.159 40 0 GKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408588255 528677555 /nfs/dbraw/zinc/67/75/55/528677555.db2.gz VHYLZUVHHVBYKX-UHFFFAOYSA-N 0 0 395.886 6.564 40 0 GKABRN CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cn1 ZINC000225871211 528681042 /nfs/dbraw/zinc/68/10/42/528681042.db2.gz HTSCRYVVHNTSPU-UHFFFAOYSA-N 0 0 382.504 5.110 40 0 GKABRN CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000408734616 528691107 /nfs/dbraw/zinc/69/11/07/528691107.db2.gz ZURCANKUMFDHPG-DEOSSOPVSA-N 0 0 386.495 5.945 40 0 GKABRN CCCOc1ccc(CNc2ccc(Br)cc2C)cc1OCC ZINC000408610088 528691441 /nfs/dbraw/zinc/69/14/41/528691441.db2.gz NNTRZIIJSIRULA-UHFFFAOYSA-N 0 0 378.310 5.557 40 0 GKABRN CCCCOc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1 ZINC000408624687 528691952 /nfs/dbraw/zinc/69/19/52/528691952.db2.gz YYYFMXDWAHEJPP-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000409095476 528694226 /nfs/dbraw/zinc/69/42/26/528694226.db2.gz HPFFFLXONRDKIY-UHFFFAOYSA-N 0 0 399.947 5.153 40 0 GKABRN CCCOc1ccc(Cl)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408553819 528696100 /nfs/dbraw/zinc/69/61/00/528696100.db2.gz BIILQCSAAQCLKG-SFHVURJKSA-N 0 0 382.312 5.561 40 0 GKABRN CCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 ZINC000408998655 528696107 /nfs/dbraw/zinc/69/61/07/528696107.db2.gz RRZCMEXBJCGDCQ-JOCHJYFZSA-N 0 0 376.431 5.386 40 0 GKABRN CCCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000408587107 528700192 /nfs/dbraw/zinc/70/01/92/528700192.db2.gz QGERZVOLTSTCPL-UHFFFAOYSA-N 0 0 391.467 5.919 40 0 GKABRN CCCCOc1ncc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C ZINC000225871522 528706122 /nfs/dbraw/zinc/70/61/22/528706122.db2.gz QHXFWJFCUBNNMG-UHFFFAOYSA-N 0 0 396.531 5.418 40 0 GKABRN CCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl ZINC000408556903 528722082 /nfs/dbraw/zinc/72/20/82/528722082.db2.gz KTROGWJYZSYSSF-SFHVURJKSA-N 0 0 382.312 5.561 40 0 GKABRN CCCOc1ccc2ccccc2c1CNc1ccc(Br)cc1C ZINC000408613990 528730335 /nfs/dbraw/zinc/73/03/35/528730335.db2.gz XDSPJVNJYLCFLW-UHFFFAOYSA-N 0 0 384.317 6.312 40 0 GKABRN CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 ZINC000408628359 528735688 /nfs/dbraw/zinc/73/56/88/528735688.db2.gz RTCVMHBFIASMKM-UHFFFAOYSA-N 0 0 386.451 5.844 40 0 GKABRN CCCOc1ccccc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000408586256 528768107 /nfs/dbraw/zinc/76/81/07/528768107.db2.gz MHRFYGQTPZYTJE-UHFFFAOYSA-N 0 0 377.440 5.529 40 0 GKABRN CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561914 528804548 /nfs/dbraw/zinc/80/45/48/528804548.db2.gz LOWYMUIDJDOJLZ-IZHYLOQSSA-N 0 0 392.568 5.855 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408561773 528804671 /nfs/dbraw/zinc/80/46/71/528804671.db2.gz LBYYAYLQRCFTHK-BZZOAKBMSA-N 0 0 396.531 5.686 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563200 528804815 /nfs/dbraw/zinc/80/48/15/528804815.db2.gz UVYUQJARJJXASC-IZHYLOQSSA-N 0 0 392.568 5.855 40 0 GKABRN CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(C)cc1 ZINC000408821075 528806023 /nfs/dbraw/zinc/80/60/23/528806023.db2.gz CAPGXEHTDMIBFB-UHFFFAOYSA-N 0 0 394.584 6.226 40 0 GKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(OC)c(OC)c1 ZINC000408834878 528807284 /nfs/dbraw/zinc/80/72/84/528807284.db2.gz WBHAIWHNADERKR-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1cc(OC)ccc1OC ZINC000408835447 528807303 /nfs/dbraw/zinc/80/73/03/528807303.db2.gz YTPSFKVCGGOGJT-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(C)c(C)c1 ZINC000408822257 528807660 /nfs/dbraw/zinc/80/76/60/528807660.db2.gz AUMDOGWQHUWSEM-UHFFFAOYSA-N 0 0 384.932 6.285 40 0 GKABRN CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1cc(OC)cc(OC)c1 ZINC000408830915 528807777 /nfs/dbraw/zinc/80/77/77/528807777.db2.gz ZBFSQTNXOWQCTM-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(OCC)cc1 ZINC000408833118 528807813 /nfs/dbraw/zinc/80/78/13/528807813.db2.gz SYQISDLKJRGVQC-UHFFFAOYSA-N 0 0 380.513 5.722 40 0 GKABRN CCCc1sc2nc(Sc3ccccn3)n(-c3ccccc3)c(=O)c2c1C ZINC000409133585 528807822 /nfs/dbraw/zinc/80/78/22/528807822.db2.gz NDMNKDMTYATHLR-UHFFFAOYSA-N 0 0 393.537 5.254 40 0 GKABRN CCCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000409099636 528823728 /nfs/dbraw/zinc/82/37/28/528823728.db2.gz ROKZEVJREFNCAD-UHFFFAOYSA-N 0 0 378.328 5.954 40 0 GKABRN CCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 ZINC000301606664 528824122 /nfs/dbraw/zinc/82/41/22/528824122.db2.gz SURDOXIHTSVDTR-UHFFFAOYSA-N 0 0 379.316 5.349 40 0 GKABRN CCCn1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000409318227 528828563 /nfs/dbraw/zinc/82/85/63/528828563.db2.gz VEGUGYITSQEHEN-XDHOZWIPSA-N 0 0 396.899 5.946 40 0 GKABRN CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000106685385 528828860 /nfs/dbraw/zinc/82/88/60/528828860.db2.gz JEHPXXHIBXGHQA-MOSHPQCFSA-N 0 0 376.481 5.288 40 0 GKABRN CCCn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000409321516 528828900 /nfs/dbraw/zinc/82/89/00/528828900.db2.gz SZHSHXXVMQOEOX-QNGOZBTKSA-N 0 0 390.508 5.330 40 0 GKABRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 ZINC000409118010 528945804 /nfs/dbraw/zinc/94/58/04/528945804.db2.gz SATXGKXKQKBNBC-QNGOZBTKSA-N 0 0 389.882 5.826 40 0 GKABRN CCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O ZINC000409064702 528953991 /nfs/dbraw/zinc/95/39/91/528953991.db2.gz DPTQMMIFSIJFSX-UDWIEESQSA-N 0 0 376.481 5.054 40 0 GKABRN CC(C)N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000409022919 528980211 /nfs/dbraw/zinc/98/02/11/528980211.db2.gz WDWCCFHNDJGOGC-ZSOIEALJSA-N 0 0 382.268 5.698 40 0 GKABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408680385 529159457 /nfs/dbraw/zinc/15/94/57/529159457.db2.gz RPRAAFCBGRFQEF-HNNXBMFYSA-N 0 0 392.204 5.808 40 0 GKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000408705301 529244888 /nfs/dbraw/zinc/24/48/88/529244888.db2.gz BRZMSJPKDCYJDJ-HSZRJFAPSA-N 0 0 391.467 5.070 40 0 GKABRN CC[C@H](C)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000408569819 529273824 /nfs/dbraw/zinc/27/38/24/529273824.db2.gz QFHZKCLYTGZHNJ-HNNXBMFYSA-N 0 0 387.570 5.696 40 0 GKABRN CC[C@H](C)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408622738 529274702 /nfs/dbraw/zinc/27/47/02/529274702.db2.gz RGMYZNFDSUYQCI-ZDUSSCGKSA-N 0 0 388.294 7.019 40 0 GKABRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000008198202 529274767 /nfs/dbraw/zinc/27/47/67/529274767.db2.gz CHODEYXTUSWJRQ-HNNXBMFYSA-N 0 0 388.442 6.400 40 0 GKABRN CC[C@H](C)n1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 ZINC000409246760 529284659 /nfs/dbraw/zinc/28/46/59/529284659.db2.gz DFRGOALCEGMJFU-RSZPVBOMSA-N 0 0 387.483 5.014 40 0 GKABRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Br)c2)C1=O ZINC000409013736 529349859 /nfs/dbraw/zinc/34/98/59/529349859.db2.gz NWBGJADDECAUBQ-BTAWCLGRSA-N 0 0 398.322 5.071 40 0 GKABRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000409111068 529373793 /nfs/dbraw/zinc/37/37/93/529373793.db2.gz AEZSEIGMXHTXTL-YGNAEDSMSA-N 0 0 391.298 5.174 40 0 GKABRN CCCc1ccc2[nH]c(=O)c(CNc3ccc(N4CCC(C)CC4)cc3)cc2c1 ZINC000057712778 535427263 /nfs/dbraw/zinc/42/72/63/535427263.db2.gz NWQAWOYNSMFEPL-UHFFFAOYSA-N 0 0 389.543 5.329 40 0 GKABRN COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC(C)CC4)n3n2)c1 ZINC000004980586 537064835 /nfs/dbraw/zinc/06/48/35/537064835.db2.gz TYGWLCFJLNFZLY-UHFFFAOYSA-N 0 0 398.510 5.308 40 0 GKABRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]34C)[C@@H]1CC[C@@H]2CO ZINC000253505552 560037376 /nfs/dbraw/zinc/03/73/76/560037376.db2.gz XSVLGQVTZZPPSN-RJFXTKSVSA-N 0 0 390.608 5.549 40 0 biogenic,in-vitro GKABRN CC1=C[C@@H](CNC(=O)C2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320863 560077822 /nfs/dbraw/zinc/07/78/22/560077822.db2.gz MUSMQWXDXNKRSS-BJLQDIEVSA-N 0 0 397.538 5.015 40 0 biogenic,in-vitro GKABRN Cc1cc(Oc2ccc3ccccc3c2)nc(SCC(=O)c2ccccc2)n1 ZINC000000976902 560180230 /nfs/dbraw/zinc/18/02/30/560180230.db2.gz KDDXEPFKCPQIAW-UHFFFAOYSA-N 0 0 386.476 5.706 40 0 biogenic,in-vitro GKABRN c1c(-c2cc(-c3ccc4ccccc4c3)on2)noc1-c1ccc2ccccc2c1 ZINC000001588230 560182730 /nfs/dbraw/zinc/18/27/30/560182730.db2.gz MDCYFLAZVPQFHT-UHFFFAOYSA-N 0 0 388.426 6.970 40 0 in-vitro GKABRN Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)cc1O2 ZINC000002567227 560188046 /nfs/dbraw/zinc/18/80/46/560188046.db2.gz LGIRBUBHIWTVCK-UHFFFAOYSA-N 0 0 390.864 7.505 40 0 in-vitro GKABRN C[C@@]12CC[C@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000003830768 560189801 /nfs/dbraw/zinc/18/98/01/560189801.db2.gz UYIFTLBWAOGQBI-IJELJUKBSA-N 0 0 376.496 5.123 40 0 in-vitro GKABRN Cc1ccc(CNC(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)o1 ZINC000096155528 570216532 /nfs/dbraw/zinc/21/65/32/570216532.db2.gz VLVYFKJSCGJVDR-UHFFFAOYSA-N 0 0 397.434 5.093 40 0 GKABRN C[C@@H]1Cc2c(c(Nc3ccc(F)cc3)nn2-c2nc3ccccc3s2)C(=O)C1 ZINC000019817245 570221929 /nfs/dbraw/zinc/22/19/29/570221929.db2.gz AAXGVRLPXAEYNV-GFCCVEGCSA-N 0 0 392.459 5.130 40 0 GKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1cccc2ccccc21 ZINC000205612286 570225653 /nfs/dbraw/zinc/22/56/53/570225653.db2.gz UCNGHTLWOLBKAS-KQWNVCNZSA-N 0 0 396.446 5.151 40 0 GKABRN CCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 ZINC000205619140 570226669 /nfs/dbraw/zinc/22/66/69/570226669.db2.gz BTIODAOMOLWARA-QNGOZBTKSA-N 0 0 390.508 5.029 40 0 GKABRN COc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 ZINC000019931395 570230701 /nfs/dbraw/zinc/23/07/01/570230701.db2.gz JQRARRJATSEILT-UHFFFAOYSA-N 0 0 379.481 5.119 40 0 GKABRN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 ZINC000019933194 570231292 /nfs/dbraw/zinc/23/12/92/570231292.db2.gz QOSUGWLNQWDYHU-UHFFFAOYSA-N 0 0 397.305 5.808 40 0 GKABRN COc1ccccc1CN(C)C(=O)c1ccccc1SCc1ccccc1 ZINC000019933652 570231312 /nfs/dbraw/zinc/23/13/12/570231312.db2.gz LQDMPJIYRVTNFT-UHFFFAOYSA-N 0 0 377.509 5.260 40 0 GKABRN CC(C)C[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 ZINC000019934387 570231548 /nfs/dbraw/zinc/23/15/48/570231548.db2.gz RCOBPXOQONURGN-VWLOTQADSA-N 0 0 398.550 5.767 40 0 GKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 ZINC000020036364 570236600 /nfs/dbraw/zinc/23/66/00/570236600.db2.gz RHAAFGIGSGKHOK-KRWDZBQOSA-N 0 0 395.955 6.432 40 0 GKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000020036891 570236701 /nfs/dbraw/zinc/23/67/01/570236701.db2.gz BHFTWJUQGVBASP-INIZCTEOSA-N 0 0 398.311 5.289 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000020039040 570236879 /nfs/dbraw/zinc/23/68/79/570236879.db2.gz VBLIXZZYOOGVKP-KHMHUBCMSA-N 0 0 396.317 6.221 40 0 GKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C ZINC000020041823 570236996 /nfs/dbraw/zinc/23/69/96/570236996.db2.gz WKYDBRDACFSVCA-LJQANCHMSA-N 0 0 375.468 5.288 40 0 GKABRN CCOc1ccc(CCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC ZINC000020041380 570237039 /nfs/dbraw/zinc/23/70/39/570237039.db2.gz WYIYPDWUAPFOPF-UHFFFAOYSA-N 0 0 382.287 5.362 40 0 GKABRN CCOC(=O)c1cccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)c1C ZINC000020045579 570237296 /nfs/dbraw/zinc/23/72/96/570237296.db2.gz AUKKLJFBXZWOIP-NRFANRHFSA-N 0 0 391.467 5.121 40 0 GKABRN CC[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020045685 570237330 /nfs/dbraw/zinc/23/73/30/570237330.db2.gz UTDHDFOTCSVSLX-QFIPXVFZSA-N 0 0 393.914 5.726 40 0 GKABRN O=C(CSCc1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020046382 570237699 /nfs/dbraw/zinc/23/76/99/570237699.db2.gz AKCSTJSCFNDYAZ-UHFFFAOYSA-N 0 0 377.790 5.370 40 0 GKABRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020048798 570237738 /nfs/dbraw/zinc/23/77/38/570237738.db2.gz NMGVOSFCQZPXEF-SFHVURJKSA-N 0 0 389.520 5.449 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020049029 570237840 /nfs/dbraw/zinc/23/78/40/570237840.db2.gz KSRHUYSWYJNLAJ-HXUWFJFHSA-N 0 0 398.300 5.707 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000020104112 570239565 /nfs/dbraw/zinc/23/95/65/570239565.db2.gz BUBFNCZRJWFTGF-JTSKRJEESA-N 0 0 395.955 6.035 40 0 GKABRN CCc1cccc(C)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020104598 570239601 /nfs/dbraw/zinc/23/96/01/570239601.db2.gz YERSYRBJFBVIIQ-UHFFFAOYSA-N 0 0 384.523 5.763 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000020105490 570239704 /nfs/dbraw/zinc/23/97/04/570239704.db2.gz RRKWYNGKEOXAQG-XMMPIXPASA-N 0 0 397.474 6.428 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Cl ZINC000020104581 570239722 /nfs/dbraw/zinc/23/97/22/570239722.db2.gz QZRSGUQLLYMUDR-XBXARRHUSA-N 0 0 398.673 5.475 40 0 GKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020105480 570239731 /nfs/dbraw/zinc/23/97/31/570239731.db2.gz QTJLQUMIWKSUKR-UHFFFAOYSA-N 0 0 396.412 5.520 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000020104114 570239738 /nfs/dbraw/zinc/23/97/38/570239738.db2.gz BUBFNCZRJWFTGF-VGOFRKELSA-N 0 0 395.955 6.035 40 0 GKABRN COc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 ZINC000020105937 570239935 /nfs/dbraw/zinc/23/99/35/570239935.db2.gz RMXYHISJSPGYEQ-UHFFFAOYSA-N 0 0 377.509 5.477 40 0 GKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000020107292 570239963 /nfs/dbraw/zinc/23/99/63/570239963.db2.gz AKJQCCXJTNZFMI-UHFFFAOYSA-N 0 0 390.664 5.517 40 0 GKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1OCC ZINC000020107457 570240055 /nfs/dbraw/zinc/24/00/55/570240055.db2.gz JKMOWJNQFUTUFY-RTBURBONSA-N 0 0 399.531 5.054 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020108021 570240074 /nfs/dbraw/zinc/24/00/74/570240074.db2.gz RTYIZCZBOKTXIU-MRXNPFEDSA-N 0 0 387.785 5.164 40 0 GKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 ZINC000020108968 570240226 /nfs/dbraw/zinc/24/02/26/570240226.db2.gz KWPSKJIVLZUGBD-DENIHFKCSA-N 0 0 383.532 5.291 40 0 GKABRN COc1ccc(C(=O)c2[nH]c(-c3ccc(OC)cc3)cc2-c2ccccc2)cc1 ZINC000001074350 570240620 /nfs/dbraw/zinc/24/06/20/570240620.db2.gz MQQUATXQLUTKTA-UHFFFAOYSA-N 0 0 383.447 5.597 40 0 GKABRN COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000001101465 570241733 /nfs/dbraw/zinc/24/17/33/570241733.db2.gz QNNROVBMTABJER-MRXNPFEDSA-N 0 0 399.368 5.446 40 0 GKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000020138431 570242010 /nfs/dbraw/zinc/24/20/10/570242010.db2.gz FWSMLQDDWRJVPH-UHFFFAOYSA-N 0 0 392.238 5.007 40 0 GKABRN COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1-c1ccc(CO)o1 ZINC000020138882 570242344 /nfs/dbraw/zinc/24/23/44/570242344.db2.gz XTUPEQPNESZAGL-UHFFFAOYSA-N 0 0 399.446 5.367 40 0 GKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000020138616 570242432 /nfs/dbraw/zinc/24/24/32/570242432.db2.gz HZSXHTBCBGQHJG-UHFFFAOYSA-N 0 0 376.239 5.306 40 0 GKABRN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 ZINC000020138638 570242494 /nfs/dbraw/zinc/24/24/94/570242494.db2.gz WKAARODSQWQNGT-UHFFFAOYSA-N 0 0 376.239 5.306 40 0 GKABRN CCCOc1cccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 ZINC000020141488 570242609 /nfs/dbraw/zinc/24/26/09/570242609.db2.gz BBYTYAUYNKVQJZ-UHFFFAOYSA-N 0 0 385.847 5.133 40 0 GKABRN CCCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020141569 570242696 /nfs/dbraw/zinc/24/26/96/570242696.db2.gz PKOWTIKAUXJDHY-UHFFFAOYSA-N 0 0 399.874 5.524 40 0 GKABRN Cc1cc(NC(=O)c2cccc(OCC(C)C)c2)ccc1-c1ccc(CO)o1 ZINC000020142108 570243039 /nfs/dbraw/zinc/24/30/39/570243039.db2.gz LILQCISJTKODRQ-UHFFFAOYSA-N 0 0 379.456 5.034 40 0 GKABRN CC(C)COc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020142100 570243078 /nfs/dbraw/zinc/24/30/78/570243078.db2.gz KTRCBNBXIQVCQW-UHFFFAOYSA-N 0 0 399.874 5.379 40 0 GKABRN Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1-c1ccc(CO)o1 ZINC000020142040 570243086 /nfs/dbraw/zinc/24/30/86/570243086.db2.gz COVHVZZAIFQCSZ-UHFFFAOYSA-N 0 0 379.456 5.034 40 0 GKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020142240 570243386 /nfs/dbraw/zinc/24/33/86/570243386.db2.gz RMLMLIVTBKEBLJ-AWEZNQCLSA-N 0 0 399.874 5.522 40 0 GKABRN Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc(C)c1Cl ZINC000020144357 570243667 /nfs/dbraw/zinc/24/36/67/570243667.db2.gz KCFGGQQULPLFAT-UHFFFAOYSA-N 0 0 399.874 5.035 40 0 GKABRN Cc1cc(C)cc(OCc2nnc(SCc3c(Cl)cccc3Cl)o2)c1 ZINC000020197038 570246966 /nfs/dbraw/zinc/24/69/66/570246966.db2.gz HHPRVFYDGLPREH-UHFFFAOYSA-N 0 0 395.311 5.865 40 0 GKABRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl ZINC000048534100 570250740 /nfs/dbraw/zinc/25/07/40/570250740.db2.gz QZBHYJWTSKARLS-JXMROGBWSA-N 0 0 392.669 6.559 40 0 GKABRN CCSc1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000020453851 570258289 /nfs/dbraw/zinc/25/82/89/570258289.db2.gz AWXDLUZKWDHTGT-UHFFFAOYSA-N 0 0 386.369 5.977 40 0 GKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F ZINC000020454723 570258507 /nfs/dbraw/zinc/25/85/07/570258507.db2.gz CKQRKRYYCAQWDD-SFHVURJKSA-N 0 0 397.968 5.399 40 0 GKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020454733 570258753 /nfs/dbraw/zinc/25/87/53/570258753.db2.gz OZTJERIXJYUDJQ-VXKWHMMOSA-N 0 0 383.532 5.373 40 0 GKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)c(C)c1 ZINC000020456228 570259179 /nfs/dbraw/zinc/25/91/79/570259179.db2.gz RXHAIYLXGUGPNY-OAHLLOKOSA-N 0 0 382.685 5.207 40 0 GKABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000020460173 570260349 /nfs/dbraw/zinc/26/03/49/570260349.db2.gz PDSHZEUHPHNYKG-OAHLLOKOSA-N 0 0 377.937 5.139 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020461758 570260595 /nfs/dbraw/zinc/26/05/95/570260595.db2.gz YVHLDCZPLNKYDL-MRXNPFEDSA-N 0 0 388.678 5.452 40 0 GKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020460428 570260668 /nfs/dbraw/zinc/26/06/68/570260668.db2.gz OVQXWNYCBAHRRJ-ZCYQVOJMSA-N 0 0 387.523 5.675 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)CCSc2ccc(Cl)cc2)c(Cl)c1 ZINC000020460386 570260696 /nfs/dbraw/zinc/26/06/96/570260696.db2.gz YJAIDQJYXVYXEY-UHFFFAOYSA-N 0 0 398.311 5.291 40 0 GKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020460760 570260767 /nfs/dbraw/zinc/26/07/67/570260767.db2.gz APZYBYLSXAYOHK-UHFFFAOYSA-N 0 0 390.914 5.854 40 0 GKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000020481113 570261410 /nfs/dbraw/zinc/26/14/10/570261410.db2.gz FWTIYYADDJTDRB-OFVILXPXSA-N 0 0 387.523 5.593 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020481854 570261638 /nfs/dbraw/zinc/26/16/38/570261638.db2.gz WICGMENUSKDZQJ-BJKOFHAPSA-N 0 0 389.495 5.067 40 0 GKABRN Cc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 ZINC000020484576 570262053 /nfs/dbraw/zinc/26/20/53/570262053.db2.gz YQJWSIXLJYBMIR-SFHVURJKSA-N 0 0 393.914 6.027 40 0 GKABRN CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1 ZINC000020485015 570262057 /nfs/dbraw/zinc/26/20/57/570262057.db2.gz NPIDWAWIRGIWKT-SFHVURJKSA-N 0 0 390.321 5.219 40 0 GKABRN COc1cc(Br)c(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000035018443 570262211 /nfs/dbraw/zinc/26/22/11/570262211.db2.gz ZGHNLQVZPWIWMU-UHFFFAOYSA-N 0 0 391.092 5.385 40 0 GKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020485957 570262385 /nfs/dbraw/zinc/26/23/85/570262385.db2.gz YUFHLNYTFIMXMH-LBPRGKRZSA-N 0 0 385.813 5.888 40 0 GKABRN CCOc1cccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000020493589 570263447 /nfs/dbraw/zinc/26/34/47/570263447.db2.gz PXPGLHGXJLUSGE-UHFFFAOYSA-N 0 0 395.886 5.248 40 0 GKABRN Oc1ccc2ccccc2c1C(Oc1ccccc1)c1c(O)ccc2ccccc21 ZINC000098177440 570263594 /nfs/dbraw/zinc/26/35/94/570263594.db2.gz CPBPXVAYJTWEML-UHFFFAOYSA-N 0 0 392.454 6.573 40 0 GKABRN CCCCc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 ZINC000020494230 570263941 /nfs/dbraw/zinc/26/39/41/570263941.db2.gz DVJIGZHVALINMI-UHFFFAOYSA-N 0 0 398.550 6.234 40 0 GKABRN O=C1CCCCCC[C@H]1Cc1cc(O)c(C[C@@H]2CCCCCCC2=O)cc1O ZINC000001570282 570264815 /nfs/dbraw/zinc/26/48/15/570264815.db2.gz SMLOLIDWSYJKHO-ROUUACIJSA-N 0 0 386.532 5.262 40 0 GKABRN O[C@](Cc1ccccc1)(c1ccccc1)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000001593921 570265625 /nfs/dbraw/zinc/26/56/25/570265625.db2.gz AMAXKOSVSUNNCW-VSGBNLITSA-N 0 0 394.514 5.247 40 0 GKABRN COc1ccc(N(C(C)=O)[C@@H](Sc2ccc(C)cc2)c2ccccc2)cc1 ZINC000001615895 570266087 /nfs/dbraw/zinc/26/60/87/570266087.db2.gz WXGUVRFVWRCROA-QHCPKHFHSA-N 0 0 377.509 5.848 40 0 GKABRN Clc1ccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c32)cc1 ZINC000001613043 570266100 /nfs/dbraw/zinc/26/61/00/570266100.db2.gz MVNQLJGIOKCFRA-UHFFFAOYSA-N 0 0 397.865 6.954 40 0 GKABRN c1ccc(CSC(SCc2ccccc2)c2cccc3ccccc32)cc1 ZINC000001638858 570266359 /nfs/dbraw/zinc/26/63/59/570266359.db2.gz DLMKPGODGSFRPE-UHFFFAOYSA-N 0 0 386.585 7.705 40 0 GKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000001628918 570266378 /nfs/dbraw/zinc/26/63/78/570266378.db2.gz SRLWMUQGWKOYLX-PIMFPASISA-N 0 0 388.592 5.804 40 0 GKABRN O=C(NCP(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 ZINC000001643468 570266390 /nfs/dbraw/zinc/26/63/90/570266390.db2.gz OKNAZJDBEUAXJP-UHFFFAOYSA-N 0 0 397.367 5.221 40 0 GKABRN C[C@H]1c2c(ccc3ccccc32)CC[C@@H]1Cc1cccc2ccc3c(c21)C=CCC3 ZINC000001632955 570266442 /nfs/dbraw/zinc/26/64/42/570266442.db2.gz FXSTVZXKIPACLS-CJFMBICVSA-N 0 0 388.554 7.861 40 0 GKABRN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)c1ccccc1 ZINC000001646459 570266948 /nfs/dbraw/zinc/26/69/48/570266948.db2.gz GRODFAUJWFUGPN-UHFFFAOYSA-N 0 0 378.427 5.804 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Br)cc(C)c1Cl ZINC000040913376 570270529 /nfs/dbraw/zinc/27/05/29/570270529.db2.gz KNPZQZPHTINDQV-GFCCVEGCSA-N 0 0 382.685 5.125 40 0 GKABRN CCCCc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000040948723 570270611 /nfs/dbraw/zinc/27/06/11/570270611.db2.gz LDSZHWMJYFKVRR-MDWZMJQESA-N 0 0 388.305 5.452 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040945171 570270662 /nfs/dbraw/zinc/27/06/62/570270662.db2.gz SCYVOYWPHCNOAN-LBPRGKRZSA-N 0 0 399.840 6.062 40 0 GKABRN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2ccccc2c1Cl ZINC000041007579 570271222 /nfs/dbraw/zinc/27/12/22/570271222.db2.gz LKWMZZJSAHOXJQ-UHFFFAOYSA-N 0 0 396.851 5.369 40 0 GKABRN CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1 ZINC000020609877 570271834 /nfs/dbraw/zinc/27/18/34/570271834.db2.gz JBVMYGLTTLTCBU-XNTDXEJSSA-N 0 0 382.467 5.196 40 0 GKABRN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000020609960 570271879 /nfs/dbraw/zinc/27/18/79/570271879.db2.gz JIVOMKUIVLTVNF-OVCLIPMQSA-N 0 0 396.494 5.504 40 0 GKABRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 ZINC000020610597 570272207 /nfs/dbraw/zinc/27/22/07/570272207.db2.gz ICSWDJYYDTVTRP-OVCLIPMQSA-N 0 0 382.467 5.196 40 0 GKABRN FC(F)(F)c1cccc(Oc2cccc(Oc3cccc(C(F)(F)F)c3)n2)c1 ZINC000005740772 570273353 /nfs/dbraw/zinc/27/33/53/570273353.db2.gz VCJWGLWFZWOLOD-UHFFFAOYSA-N 0 0 399.290 6.704 40 0 GKABRN COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 ZINC000005848354 570273775 /nfs/dbraw/zinc/27/37/75/570273775.db2.gz NBGSPHVSSLKKHM-UHFFFAOYSA-N 0 0 380.300 5.090 40 0 GKABRN Cc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 ZINC000005864868 570274036 /nfs/dbraw/zinc/27/40/36/570274036.db2.gz VQUGMKPMCHWTQN-UHFFFAOYSA-N 0 0 394.283 5.083 40 0 GKABRN C[C@H]1Cc2c(c(Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)C(=O)C1 ZINC000020672009 570274508 /nfs/dbraw/zinc/27/45/08/570274508.db2.gz CFMZMDHEVKCLOU-LBPRGKRZSA-N 0 0 386.282 5.688 40 0 GKABRN Cc1ccc(NC(=O)c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000000957948 570276970 /nfs/dbraw/zinc/27/69/70/570276970.db2.gz NXAXEHXJWFPPTI-GIDUJCDVSA-N 0 0 375.399 5.005 40 0 GKABRN Cc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)cc1C ZINC000020796720 570280626 /nfs/dbraw/zinc/28/06/26/570280626.db2.gz ZBBDDLMTVGWXGZ-UHFFFAOYSA-N 0 0 377.463 5.527 40 0 GKABRN COc1ccc(-n2nc(Nc3cc(C)cc(C)c3)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020797003 570280744 /nfs/dbraw/zinc/28/07/44/570280744.db2.gz VNRUFXSQWJVYLB-MRXNPFEDSA-N 0 0 375.472 5.006 40 0 GKABRN CCCCCCN(CCCCCC)C(=S)Nc1ccc(C(=O)OC)cc1 ZINC000006782969 570284103 /nfs/dbraw/zinc/28/41/03/570284103.db2.gz HAJOSHPUZNBQQI-UHFFFAOYSA-N 0 0 378.582 5.633 40 0 GKABRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)Cc1ccccc1 ZINC000020969774 570288502 /nfs/dbraw/zinc/28/85/02/570288502.db2.gz FVXFVVOEEMMRDS-UHFFFAOYSA-N 0 0 384.483 5.034 40 0 GKABRN Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl ZINC000002521554 570289586 /nfs/dbraw/zinc/28/95/86/570289586.db2.gz TYEDCFVCFDKSBK-UHFFFAOYSA-N 0 0 395.327 7.927 40 0 GKABRN Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000002521549 570289676 /nfs/dbraw/zinc/28/96/76/570289676.db2.gz PYZHTHZEHQHHEN-UHFFFAOYSA-N 0 0 395.327 7.927 40 0 GKABRN Brc1cc(Br)c(-c2ccccc2)c(Br)c1 ZINC000002526183 570289980 /nfs/dbraw/zinc/28/99/80/570289980.db2.gz YCLZBYQDXVJFII-UHFFFAOYSA-N 0 0 390.900 5.641 40 0 GKABRN Brc1ccc(Br)c(-c2ccccc2Br)c1 ZINC000002526184 570290037 /nfs/dbraw/zinc/29/00/37/570290037.db2.gz IYDNWMCMGNRWET-UHFFFAOYSA-N 0 0 390.900 5.641 40 0 GKABRN C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000102614550 570290418 /nfs/dbraw/zinc/29/04/18/570290418.db2.gz BBDOSESKEVIKKL-HNNXBMFYSA-N 0 0 391.342 5.083 40 0 GKABRN Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1Cl ZINC000002569348 570290948 /nfs/dbraw/zinc/29/09/48/570290948.db2.gz ZDLMBNHYTPHDLF-UHFFFAOYSA-N 0 0 395.327 7.927 40 0 GKABRN COP(=O)(OC)[C@]1(O)[C@@H]2CCC[C@H]1C1=C(CCCC1)[C@H]2c1ccccc1 ZINC000102673813 570291136 /nfs/dbraw/zinc/29/11/36/570291136.db2.gz FLRSDWGCLTWBAU-BQJUDKOJSA-N 0 0 376.433 5.245 40 0 GKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000021141700 570291601 /nfs/dbraw/zinc/29/16/01/570291601.db2.gz OMIZXOREDIERED-UHFFFAOYSA-N 0 0 385.467 5.371 40 0 GKABRN Cc1[nH]c2ccccc2c1[C@H](Cc1ccccc1N)[C@H]1c2ccccc2N=C1C ZINC000102962139 570293467 /nfs/dbraw/zinc/29/34/67/570293467.db2.gz ANOKOMZFWQISDW-PXDATVDWSA-N 0 0 379.507 6.275 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 ZINC000215935061 570293621 /nfs/dbraw/zinc/29/36/21/570293621.db2.gz NMOYDCMHDZDWIO-LJQANCHMSA-N 0 0 384.273 5.398 40 0 GKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccco1 ZINC000103545175 570295902 /nfs/dbraw/zinc/29/59/02/570295902.db2.gz PCGLZNGKQLTVQK-RUZDIDTESA-N 0 0 398.506 6.746 40 0 GKABRN Cc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000002727814 570295991 /nfs/dbraw/zinc/29/59/91/570295991.db2.gz WFNRWIVZIZBDTE-MRXNPFEDSA-N 0 0 383.369 5.746 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GKABRN CCc1cc2cc(C)ccc2nc1SCC(=O)c1ccc(NC(C)=O)cc1 ZINC000035288867 570456387 /nfs/dbraw/zinc/45/63/87/570456387.db2.gz PWPDYFYLNYFBBG-UHFFFAOYSA-N 0 0 378.497 5.039 40 0 GKABRN O=C1/C(=C/c2ccc(Cl)cc2)S[C@@H](c2ccccc2)N1c1ccccc1 ZINC000005775260 570456420 /nfs/dbraw/zinc/45/64/20/570456420.db2.gz WWIALLRGPCNWER-BARSGRSVSA-N 0 0 377.896 6.160 40 0 GKABRN CCOC(=O)c1ccc(-c2ccc(COC(=O)c3ccccc3Cl)o2)cc1 ZINC000005797052 570457358 /nfs/dbraw/zinc/45/73/58/570457358.db2.gz DJOSVBSMYLTTEL-UHFFFAOYSA-N 0 0 384.815 5.134 40 0 GKABRN Cc1ccc(NC(=S)Nc2ccccc2)cc1NC(=S)Nc1ccccc1 ZINC000005798924 570457377 /nfs/dbraw/zinc/45/73/77/570457377.db2.gz HSEIUHPMOSMANO-UHFFFAOYSA-N 0 0 392.553 5.613 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1C(C)C ZINC000223318544 570458017 /nfs/dbraw/zinc/45/80/17/570458017.db2.gz MXCOBMGYGGXXJM-CVEARBPZSA-N 0 0 389.923 5.425 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000223327190 570458475 /nfs/dbraw/zinc/45/84/75/570458475.db2.gz NSUGNEIPLZNYTJ-HXUWFJFHSA-N 0 0 379.544 5.367 40 0 GKABRN CC(C)c1ccc2oc(C3=CCN(Cc4ccc(F)cc4Cl)CC3)nc2c1 ZINC000226307816 570459327 /nfs/dbraw/zinc/45/93/27/570459327.db2.gz WKTXHJLUAWIMSO-UHFFFAOYSA-N 0 0 384.882 6.033 40 0 GKABRN Clc1ccc(Cc2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 ZINC000226300109 570459348 /nfs/dbraw/zinc/45/93/48/570459348.db2.gz NZSIWYYQMZOUCI-UHFFFAOYSA-N 0 0 395.702 5.404 40 0 GKABRN Clc1cc2[nH]c(-c3cccc(Br)c3)nc2c(Br)c1 ZINC000226342992 570459900 /nfs/dbraw/zinc/45/99/00/570459900.db2.gz NOWITZVPHXNWLG-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN Clc1cc2[nH]c(-c3ccccc3Br)nc2c(Br)c1 ZINC000226343003 570459959 /nfs/dbraw/zinc/45/99/59/570459959.db2.gz FPQICLDYBRPRCX-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000223340293 570460010 /nfs/dbraw/zinc/46/00/10/570460010.db2.gz UIXVQNFJXMLMFP-CQSZACIVSA-N 0 0 376.294 5.287 40 0 GKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346014 570460362 /nfs/dbraw/zinc/46/03/62/570460362.db2.gz UXBGTVXBMHJJCX-KNQAVFIVSA-N 0 0 397.559 5.779 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C(C)C ZINC000223343080 570460450 /nfs/dbraw/zinc/46/04/50/570460450.db2.gz OIBGNVXPTKDHKI-RBUKOAKNSA-N 0 0 383.532 5.389 40 0 GKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345499 570460486 /nfs/dbraw/zinc/46/04/86/570460486.db2.gz WIDJQLZCOQUQIJ-VGSWGCGISA-N 0 0 399.531 5.170 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1C(C)C ZINC000223351301 570460842 /nfs/dbraw/zinc/46/08/42/570460842.db2.gz QSINYELTTNKLHT-OALUTQOASA-N 0 0 383.532 5.389 40 0 GKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000005902563 570460994 /nfs/dbraw/zinc/46/09/94/570460994.db2.gz BOHWIZKUWNATPF-UHFFFAOYSA-N 0 0 379.459 6.327 40 0 GKABRN Cc1ccc(-c2nnc(NC(=O)CCSc3ccc(Cl)cc3)s2)cc1 ZINC000223360874 570461761 /nfs/dbraw/zinc/46/17/61/570461761.db2.gz JUFFBGRTRVFWBH-UHFFFAOYSA-N 0 0 389.933 5.288 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2cccc(C)c2)cc1C(C)C ZINC000223369999 570462150 /nfs/dbraw/zinc/46/21/50/570462150.db2.gz LDBQTNHVMUVCIV-GOSISDBHSA-N 0 0 385.573 5.546 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccccc2C(C)C)cc1C(C)C ZINC000223371118 570462260 /nfs/dbraw/zinc/46/22/60/570462260.db2.gz SRLRWXYTPMMRJN-SFHVURJKSA-N 0 0 383.532 5.507 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CCc2cccc3ccccc32)cc1C(C)C ZINC000223369289 570462289 /nfs/dbraw/zinc/46/22/89/570462289.db2.gz FDWJNSOXGJSIQF-LJQANCHMSA-N 0 0 389.539 6.090 40 0 GKABRN c1ccc(-c2nc(SCc3cccc4ccccc43)oc2-c2ccccc2)cc1 ZINC000005947947 570462479 /nfs/dbraw/zinc/46/24/79/570462479.db2.gz WWPCSUDHFOWLIA-UHFFFAOYSA-N 0 0 393.511 7.454 40 0 GKABRN O=C(OCc1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1Cl ZINC000005945900 570462517 /nfs/dbraw/zinc/46/25/17/570462517.db2.gz HLLGPXZSPWDKIP-UHFFFAOYSA-N 0 0 381.642 6.264 40 0 GKABRN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000005959963 570462943 /nfs/dbraw/zinc/46/29/43/570462943.db2.gz CTBDPJHEXDPVRX-UHFFFAOYSA-N 0 0 390.321 5.381 40 0 GKABRN CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 ZINC000005953784 570463033 /nfs/dbraw/zinc/46/30/33/570463033.db2.gz HPNYDRLBBCKUAL-UHFFFAOYSA-N 0 0 386.451 5.763 40 0 GKABRN CCCc1sc(NC(=O)c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000005952275 570463076 /nfs/dbraw/zinc/46/30/76/570463076.db2.gz QSQKVGPFPPEWJL-UHFFFAOYSA-N 0 0 392.311 5.717 40 0 GKABRN CCc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000223393639 570463546 /nfs/dbraw/zinc/46/35/46/570463546.db2.gz RCTLRJLCQYSAIG-UHFFFAOYSA-N 0 0 391.536 5.350 40 0 GKABRN O=C(NCCOc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223394440 570463549 /nfs/dbraw/zinc/46/35/49/570463549.db2.gz UDPXQRMKIDNRET-UHFFFAOYSA-N 0 0 397.927 5.441 40 0 GKABRN CCCC[C@@H](CC)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000223394774 570463598 /nfs/dbraw/zinc/46/35/98/570463598.db2.gz PWKORTONQAUKSZ-QGZVFWFLSA-N 0 0 389.992 6.579 40 0 GKABRN O=C(NCCOc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000223392695 570463604 /nfs/dbraw/zinc/46/36/04/570463604.db2.gz PKCZNVOPMXQGBX-UHFFFAOYSA-N 0 0 397.927 5.441 40 0 GKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000223391904 570463662 /nfs/dbraw/zinc/46/36/62/570463662.db2.gz GGOLZQNGMWZQGQ-OAHLLOKOSA-N 0 0 391.964 5.313 40 0 GKABRN CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccccc2Cl)cc1 ZINC000223403745 570464009 /nfs/dbraw/zinc/46/40/09/570464009.db2.gz HMNFQWXGIQUYKB-UHFFFAOYSA-N 0 0 391.964 5.066 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1C ZINC000006033154 570464572 /nfs/dbraw/zinc/46/45/72/570464572.db2.gz COTRDRLAQSKAIM-UHFFFAOYSA-N 0 0 398.462 5.863 40 0 GKABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000006034030 570464585 /nfs/dbraw/zinc/46/45/85/570464585.db2.gz PLJQQYYMDZWHPC-UHFFFAOYSA-N 0 0 380.658 6.468 40 0 GKABRN CC1(C)CC(NC(=O)Nc2ccccc2)CC(C)(C)N1C(=O)Nc1ccccc1 ZINC000006050221 570464898 /nfs/dbraw/zinc/46/48/98/570464898.db2.gz NCORSFIHULUIRV-UHFFFAOYSA-N 0 0 394.519 5.062 40 0 GKABRN Cc1cc2ccccc2n1CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006044205 570464962 /nfs/dbraw/zinc/46/49/62/570464962.db2.gz XFZICLINHXYLJV-UHFFFAOYSA-N 0 0 398.550 6.056 40 0 GKABRN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000006038234 570465055 /nfs/dbraw/zinc/46/50/55/570465055.db2.gz VAGSJSWAQWASMN-UHFFFAOYSA-N 0 0 394.858 5.188 40 0 GKABRN O=C(NCCOc1ccc(F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223424214 570465092 /nfs/dbraw/zinc/46/50/92/570465092.db2.gz JRKWTUGGRLRZIW-LTGZKZEYSA-N 0 0 395.861 5.215 40 0 GKABRN O=C(NCCOCc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223423355 570465248 /nfs/dbraw/zinc/46/52/48/570465248.db2.gz MTSFYSKLMMWSTR-OQKWZONESA-N 0 0 391.898 5.214 40 0 GKABRN O=C(CSCc1c(Cl)cccc1Cl)NCCc1ccc(Cl)cc1 ZINC000223442555 570466183 /nfs/dbraw/zinc/46/61/83/570466183.db2.gz BNUVIPKUNYIHGG-UHFFFAOYSA-N 0 0 388.747 5.239 40 0 GKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)C(F)(F)F ZINC000057316775 570466664 /nfs/dbraw/zinc/46/66/64/570466664.db2.gz UDLKWUGIAHQUCF-UHFFFAOYSA-N 0 0 375.133 5.302 40 0 GKABRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C ZINC000223445637 570466742 /nfs/dbraw/zinc/46/67/42/570466742.db2.gz SRVNUGWLYYYMMU-CQSZACIVSA-N 0 0 386.344 5.099 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223466288 570467507 /nfs/dbraw/zinc/46/75/07/570467507.db2.gz OKAXGXHZPPKYST-AUSIDOKSSA-N 0 0 375.512 5.800 40 0 GKABRN O=C(Nc1ccccc1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035312967 570467794 /nfs/dbraw/zinc/46/77/94/570467794.db2.gz JBXMQVCZRLKKMT-UHFFFAOYSA-N 0 0 397.478 5.906 40 0 GKABRN Cc1ccnn1[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000035316649 570470254 /nfs/dbraw/zinc/47/02/54/570470254.db2.gz RMIOLQAYDJZUOS-ZDUSSCGKSA-N 0 0 396.903 5.321 40 0 GKABRN COc1ccc(Cl)cc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O ZINC000008277428 570470326 /nfs/dbraw/zinc/47/03/26/570470326.db2.gz CTTRJSHSRIDBKE-CXUHLZMHSA-N 0 0 393.295 5.202 40 0 GKABRN Cc1csc(Nc2cccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)c2)n1 ZINC000035316675 570470387 /nfs/dbraw/zinc/47/03/87/570470387.db2.gz MCYKUPHXNMDXJN-GOSISDBHSA-N 0 0 393.512 5.227 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1cccc2ccccc21 ZINC000223552261 570471222 /nfs/dbraw/zinc/47/12/22/570471222.db2.gz JIFNBWMZEVLNQF-DEOSSOPVSA-N 0 0 399.490 5.346 40 0 GKABRN CC(=O)c1ccc2c(c1)N(C(=O)Nc1cccc(Cl)c1)c1ccccc1S2 ZINC000006186629 570471448 /nfs/dbraw/zinc/47/14/48/570471448.db2.gz YCFQRHZBASDJGG-UHFFFAOYSA-N 0 0 394.883 6.377 40 0 GKABRN COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000006215864 570472326 /nfs/dbraw/zinc/47/23/26/570472326.db2.gz VUSBLVPQOLYSAP-NTUHNPAUSA-N 0 0 398.462 5.772 40 0 GKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1C ZINC000006215893 570472368 /nfs/dbraw/zinc/47/23/68/570472368.db2.gz JCAVBSZUNLVSPA-UHFFFAOYSA-N 0 0 392.458 6.517 40 0 GKABRN Clc1ccccc1CSc1nnc(COc2cccc3ccccc32)o1 ZINC000000648234 570472510 /nfs/dbraw/zinc/47/25/10/570472510.db2.gz SSZQEPWZLFASKW-UHFFFAOYSA-N 0 0 382.872 5.748 40 0 GKABRN CN1c2ccccc2C[C@@H](C(=O)Nc2ccccc2C(F)(F)F)c2ccccc21 ZINC000006228449 570472545 /nfs/dbraw/zinc/47/25/45/570472545.db2.gz IQAQTYQTVBKPCR-QGZVFWFLSA-N 0 0 396.412 5.752 40 0 GKABRN O=C(Nc1nc2ccc(Br)cc2s1)C12CC3CC(CC(C3)C1)C2 ZINC000006222120 570472676 /nfs/dbraw/zinc/47/26/76/570472676.db2.gz MECPGBUIZYYJAM-UHFFFAOYSA-N 0 0 391.334 5.214 40 0 GKABRN Nc1c2ccc(-c3cccs3)nc2sc1C(=O)Nc1cc(F)ccc1F ZINC000000660283 570473037 /nfs/dbraw/zinc/47/30/37/570473037.db2.gz UKRKCAHDMUROTJ-UHFFFAOYSA-N 0 0 387.436 5.138 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)c3cc(Cl)cc(Cl)c3)ccc21 ZINC000006243858 570473868 /nfs/dbraw/zinc/47/38/68/570473868.db2.gz ZTJQKMQEKAJZMN-UHFFFAOYSA-N 0 0 383.278 6.374 40 0 GKABRN Cc1cc(Nc2ccc3ccccc3c2)nc(Nc2ccc3ccccc3c2)n1 ZINC000006255634 570474198 /nfs/dbraw/zinc/47/41/98/570474198.db2.gz XWBFSVCPBGKOHS-UHFFFAOYSA-N 0 0 376.463 6.579 40 0 GKABRN Fc1ccccc1CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000006252032 570474368 /nfs/dbraw/zinc/47/43/68/570474368.db2.gz 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570789436 /nfs/dbraw/zinc/78/94/36/570789436.db2.gz OJGRFQWZJWSLQD-CYBMUJFWSA-N 0 0 380.479 6.051 40 0 GKABRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1C ZINC000010442292 570790635 /nfs/dbraw/zinc/79/06/35/570790635.db2.gz BUMXKQSWHGHBEL-OQKWZONESA-N 0 0 385.463 5.351 40 0 GKABRN C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)C1=O ZINC000009973251 570792929 /nfs/dbraw/zinc/79/29/29/570792929.db2.gz COBZMGQEVYPXTH-IPYCGELISA-N 0 0 395.908 5.137 40 0 GKABRN S=C(NCc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000013840886 570794436 /nfs/dbraw/zinc/79/44/36/570794436.db2.gz COPGVPCSVGLFNF-UHFFFAOYSA-N 0 0 390.133 5.243 40 0 GKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011636880 570796635 /nfs/dbraw/zinc/79/66/35/570796635.db2.gz HJTQZZOCRBPRTP-MRXNPFEDSA-N 0 0 387.785 5.164 40 0 GKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000011636878 570796691 /nfs/dbraw/zinc/79/66/91/570796691.db2.gz UQXVYVPGFSQYGA-MRXNPFEDSA-N 0 0 387.785 5.164 40 0 GKABRN 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GKABRN Cc1ccc(COc2ccccc2CNc2ccc(Br)cc2C)cc1 ZINC000408613049 231080144 /nfs/dbraw/zinc/08/01/44/231080144.db2.gz WXMQBMWZEPYPSL-UHFFFAOYSA-N 0 0 396.328 6.257 40 0 GKABRN Cc1ccc(Oc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)cc1 ZINC000408613688 231081063 /nfs/dbraw/zinc/08/10/63/231081063.db2.gz XLDDYCBPGWLHKQ-UHFFFAOYSA-N 0 0 377.827 6.439 40 0 GKABRN O=C(NCc1cccc2ccccc21)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408616822 231081158 /nfs/dbraw/zinc/08/11/58/231081158.db2.gz ACEJPLSNOSEILI-UHFFFAOYSA-N 0 0 396.273 6.337 40 0 GKABRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3o2)c1 ZINC000408619457 231082021 /nfs/dbraw/zinc/08/20/21/231082021.db2.gz CEWYPKDFIKZMPE-UHFFFAOYSA-N 0 0 392.458 6.517 40 0 GKABRN CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc2ccccc21 ZINC000408560119 231060948 /nfs/dbraw/zinc/06/09/48/231060948.db2.gz CAPBHUXNVUTKIQ-IZHYLOQSSA-N 0 0 386.520 5.748 40 0 GKABRN CCn1c2c(s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1)CCc1ccccc1-2 ZINC000408562268 231061702 /nfs/dbraw/zinc/06/17/02/231061702.db2.gz 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Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)cc1 ZINC000408694602 231095472 /nfs/dbraw/zinc/09/54/72/231095472.db2.gz KTKSBKMDTLAPRZ-UHFFFAOYSA-N 0 0 382.467 5.112 40 0 GKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 ZINC000408694668 231095578 /nfs/dbraw/zinc/09/55/78/231095578.db2.gz LOHVJTOVOXUMRS-UHFFFAOYSA-N 0 0 388.858 5.148 40 0 GKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)cc1C ZINC000408694589 231095665 /nfs/dbraw/zinc/09/56/65/231095665.db2.gz KRTIBXXHLPJSKP-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000408693697 231095686 /nfs/dbraw/zinc/09/56/86/231095686.db2.gz BYKZSZFSUQYTQN-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 ZINC000408694497 231095715 /nfs/dbraw/zinc/09/57/15/231095715.db2.gz JPULXWYOONPFMT-UHFFFAOYSA-N 0 0 382.467 5.112 40 0 GKABRN Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)c(C)c1 ZINC000408694971 231095719 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385.854 5.716 40 0 GKABRN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408620632 231083183 /nfs/dbraw/zinc/08/31/83/231083183.db2.gz IAUFBQNEIWQJMV-UHFFFAOYSA-N 0 0 390.222 5.277 40 0 GKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1cccc(Cl)c1 ZINC000408619981 231083371 /nfs/dbraw/zinc/08/33/71/231083371.db2.gz FPULHUWTGDHXPE-UHFFFAOYSA-N 0 0 390.664 5.517 40 0 GKABRN COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cc1 ZINC000408620656 231083486 /nfs/dbraw/zinc/08/34/86/231083486.db2.gz IGAHHMGKYDVTJA-UHFFFAOYSA-N 0 0 394.430 5.909 40 0 GKABRN COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Cl ZINC000408621216 231083682 /nfs/dbraw/zinc/08/36/82/231083682.db2.gz KOQMADQHUCSPMT-UHFFFAOYSA-N 0 0 375.049 5.017 40 0 GKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccccc1C(C)C ZINC000408621080 231083794 /nfs/dbraw/zinc/08/37/94/231083794.db2.gz JPCLLTKFGSWCDQ-UHFFFAOYSA-N 0 0 398.300 5.987 40 0 GKABRN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000408622792 231084485 /nfs/dbraw/zinc/08/44/85/231084485.db2.gz 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Cc1cc(Cl)ccc1NC(=O)CSCc1ccccc1Br ZINC000408880694 231125252 /nfs/dbraw/zinc/12/52/52/231125252.db2.gz GVSFZJYKGYOBCJ-UHFFFAOYSA-N 0 0 384.726 5.283 40 0 GKABRN O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000408906945 231128237 /nfs/dbraw/zinc/12/82/37/231128237.db2.gz KXNVBAKADVDBPD-UHFFFAOYSA-N 0 0 388.319 6.538 40 0 GKABRN COc1ccccc1CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408906884 231128255 /nfs/dbraw/zinc/12/82/55/231128255.db2.gz JUZACIVUXDHHGX-HMMYKYKNSA-N 0 0 377.871 5.206 40 0 GKABRN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(CSc2ccccc2)cc1 ZINC000408906937 231128344 /nfs/dbraw/zinc/12/83/44/231128344.db2.gz KUECYVMEIBBCFQ-UKTHLTGXSA-N 0 0 389.476 5.360 40 0 GKABRN Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 ZINC000408724130 231106640 /nfs/dbraw/zinc/10/66/40/231106640.db2.gz FXZQMWFBVUJBMB-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN Cc1sc2nc(-c3ccc(OCc4cccc(C)c4)cc3)[nH]c(=O)c2c1C ZINC000408734674 231107403 /nfs/dbraw/zinc/10/74/03/231107403.db2.gz IIZPZDUFLYTHSF-UHFFFAOYSA-N 0 0 376.481 5.568 40 0 GKABRN Cc1sc2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)[nH]c(=O)c2c1C ZINC000408735613 231108165 /nfs/dbraw/zinc/10/81/65/231108165.db2.gz UZVUTUSNXIKKJB-UHFFFAOYSA-N 0 0 391.279 6.248 40 0 GKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(O)c2)SC1Nc1ccccc1 ZINC000408798307 231115589 /nfs/dbraw/zinc/11/55/89/231115589.db2.gz HPKIBGJPDZCOLY-CABAHIPWSA-N 0 0 393.532 5.446 40 0 GKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(O)c2)SC1Nc1ccccc1 ZINC000408798312 231115627 /nfs/dbraw/zinc/11/56/27/231115627.db2.gz HPKIBGJPDZCOLY-YLXKOEIFSA-N 0 0 393.532 5.446 40 0 GKABRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccs2)SC1Nc1ccccc1 ZINC000408800279 231115815 /nfs/dbraw/zinc/11/58/15/231115815.db2.gz LMQDYBHGZFGDEI-GRXRTFJCSA-N 0 0 383.562 5.802 40 0 GKABRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2O)SC1Nc1ccccc1 ZINC000408809482 231116445 /nfs/dbraw/zinc/11/64/45/231116445.db2.gz RTOPUCZTVNAZGT-HIKCKZAASA-N 0 0 393.532 5.446 40 0 GKABRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2O)SC1Nc1ccccc1 ZINC000408809491 231117097 /nfs/dbraw/zinc/11/70/97/231117097.db2.gz RTOPUCZTVNAZGT-UYOBMNBSSA-N 0 0 393.532 5.446 40 0 GKABRN Cc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 ZINC000408976859 231139968 /nfs/dbraw/zinc/13/99/68/231139968.db2.gz GUNCDXVLQSMJMY-UHFFFAOYSA-N 0 0 393.450 5.181 40 0 GKABRN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977269 231140521 /nfs/dbraw/zinc/14/05/21/231140521.db2.gz HXNWIMZIASHYHU-UHFFFAOYSA-N 0 0 397.413 5.011 40 0 GKABRN O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408977216 231140534 /nfs/dbraw/zinc/14/05/34/231140534.db2.gz HSRGRDSHCIVEFQ-UHFFFAOYSA-N 0 0 399.381 5.541 40 0 GKABRN CN(C)C(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408980284 231140893 /nfs/dbraw/zinc/14/08/93/231140893.db2.gz QGJOUDZIZGRVGT-UHFFFAOYSA-N 0 0 396.566 5.345 40 0 GKABRN CN(C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 ZINC000408980379 231140994 /nfs/dbraw/zinc/14/09/94/231140994.db2.gz WBMINBCWLDVKDE-UHFFFAOYSA-N 0 0 395.418 5.426 40 0 GKABRN O=c1nc(-c2ccc3[nH]c4ccccc4c3c2)[nH]c2sc3c(c21)CCCCC3 ZINC000408994406 231143495 /nfs/dbraw/zinc/14/34/95/231143495.db2.gz ZMKMEBWQQGJWJD-UHFFFAOYSA-N 0 0 385.492 5.967 40 0 GKABRN O=c1[nH]c(-c2ccc(Cl)cc2Cl)nc2sc3c(c21)CCCCCC3 ZINC000408994364 231143703 /nfs/dbraw/zinc/14/37/03/231143703.db2.gz YYDAHWGXFFJOEM-UHFFFAOYSA-N 0 0 379.312 6.030 40 0 GKABRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000409023915 231148535 /nfs/dbraw/zinc/14/85/35/231148535.db2.gz FGVOSXYEIASXTE-HMAPJEAMSA-N 0 0 387.410 5.058 40 0 GKABRN Cc1ccccc1CSCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000409026320 231148589 /nfs/dbraw/zinc/14/85/89/231148589.db2.gz LXDQRILBABDQBE-HNNXBMFYSA-N 0 0 379.978 5.179 40 0 GKABRN Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4C)cc3)C(=O)O2)c1 ZINC000409023893 231148661 /nfs/dbraw/zinc/14/86/61/231148661.db2.gz DZKDZFMIWJYIPZ-HAHDFKILSA-N 0 0 383.447 5.227 40 0 GKABRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1F ZINC000409051024 231151598 /nfs/dbraw/zinc/15/15/98/231151598.db2.gz GYHMSYIDXQOTGW-UHFFFAOYSA-N 0 0 380.469 5.930 40 0 GKABRN COc1ccc(CCCC(=O)Nc2ccc(Cl)c(Br)c2)c(C)c1 ZINC000408912713 231130649 /nfs/dbraw/zinc/13/06/49/231130649.db2.gz LPPBYQSXBHQUIW-UHFFFAOYSA-N 0 0 396.712 5.381 40 0 GKABRN COc1ccc(CCCC(=O)Nc2c(C)cc(Br)cc2C)c(C)c1 ZINC000408912975 231130685 /nfs/dbraw/zinc/13/06/85/231130685.db2.gz MIQMHHMUESLWGL-UHFFFAOYSA-N 0 0 390.321 5.344 40 0 GKABRN COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C)c(C)c1 ZINC000408915757 231130889 /nfs/dbraw/zinc/13/08/89/231130889.db2.gz QXPMIPDHDKUFGK-UHFFFAOYSA-N 0 0 376.294 5.036 40 0 GKABRN Cc1cccc(NCc2ccccc2OCc2ccc(Br)cc2)c1C ZINC000409112011 231163817 /nfs/dbraw/zinc/16/38/17/231163817.db2.gz JQYURTGUEGVCLQ-UHFFFAOYSA-N 0 0 396.328 6.257 40 0 GKABRN Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000409114946 231164031 /nfs/dbraw/zinc/16/40/31/231164031.db2.gz FMZYJILORZWJCY-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1C ZINC000409113463 231164112 /nfs/dbraw/zinc/16/41/12/231164112.db2.gz AYAFSDDVYCPROK-UHFFFAOYSA-N 0 0 386.322 6.801 40 0 GKABRN Cc1ccc(COc2ccc(Br)cc2CNc2ccccc2C)cc1 ZINC000409116558 231165304 /nfs/dbraw/zinc/16/53/04/231165304.db2.gz OCVACSIVWJZFMU-UHFFFAOYSA-N 0 0 396.328 6.257 40 0 GKABRN Cc1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000409119457 231166074 /nfs/dbraw/zinc/16/60/74/231166074.db2.gz PSCYLNPDCRKCLN-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1ccc(COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409121147 231166152 /nfs/dbraw/zinc/16/61/52/231166152.db2.gz YQNFSICQSIVUAT-UHFFFAOYSA-N 0 0 386.322 6.801 40 0 GKABRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1 ZINC000409119179 231166187 /nfs/dbraw/zinc/16/61/87/231166187.db2.gz RSIOASBXMDSDRC-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1cccc(COc2ccc(/C=C3/c4ccccc4N(CC(C)C)C3=O)cc2)c1 ZINC000409119137 231166253 /nfs/dbraw/zinc/16/62/53/231166253.db2.gz RJLGEANZNNTZNU-XYGWBWBKSA-N 0 0 397.518 6.117 40 0 GKABRN Cc1ccc(COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409119111 231166519 /nfs/dbraw/zinc/16/65/19/231166519.db2.gz VUXQKEQMXVDTSI-UHFFFAOYSA-N 0 0 386.322 6.801 40 0 GKABRN Cc1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409120166 231166531 /nfs/dbraw/zinc/16/65/31/231166531.db2.gz SBKSTDFFLKAVJO-UHFFFAOYSA-N 0 0 395.502 6.978 40 0 GKABRN Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 ZINC000409120264 231166571 /nfs/dbraw/zinc/16/65/71/231166571.db2.gz STJGKUOXYKLDNO-UHFFFAOYSA-N 0 0 386.322 6.801 40 0 GKABRN CCn1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000409123695 231167031 /nfs/dbraw/zinc/16/70/31/231167031.db2.gz IEHZYEXULDIOKP-ZDLGFXPLSA-N 0 0 382.872 5.556 40 0 GKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000409122427 231167237 /nfs/dbraw/zinc/16/72/37/231167237.db2.gz YJPPWSLDTMAHRR-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1ccc(COc2ccc(/C=C3/c4ccccc4N(CC(C)C)C3=O)cc2)cc1 ZINC000409122290 231167623 /nfs/dbraw/zinc/16/76/23/231167623.db2.gz XIRFIJIYTBOZAW-XYGWBWBKSA-N 0 0 397.518 6.117 40 0 GKABRN Cc1cc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 ZINC000409131300 231168766 /nfs/dbraw/zinc/16/87/66/231168766.db2.gz IUCGTZHFKBVQEI-RCCKNPSSSA-N 0 0 375.899 6.445 40 0 GKABRN Cc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc32)c(C)c1 ZINC000409134906 231168999 /nfs/dbraw/zinc/16/89/99/231168999.db2.gz QCXBHRFXRQVMGL-UHFFFAOYSA-N 0 0 385.482 6.787 40 0 GKABRN Cc1ccc(N2C(=O)S/C(=C\c3cn(CC(C)C)c4ccccc34)C2=O)cc1 ZINC000409138296 231169729 /nfs/dbraw/zinc/16/97/29/231169729.db2.gz ZYUMNESYXSHHJW-MTJSOVHGSA-N 0 0 390.508 5.847 40 0 GKABRN CCn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000409139647 231170535 /nfs/dbraw/zinc/17/05/35/231170535.db2.gz CFGZYPUBILLNHO-WQRHYEAKSA-N 0 0 382.872 5.556 40 0 GKABRN Cc1cc(C(F)(F)F)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2n1 ZINC000409060871 231153235 /nfs/dbraw/zinc/15/32/35/231153235.db2.gz WUMWVLMEGJYQRS-UHFFFAOYSA-N 0 0 387.792 6.044 40 0 GKABRN O=C1NC(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409068040 231154105 /nfs/dbraw/zinc/15/41/05/231154105.db2.gz HEHBJEFQFOVHRF-GZTJUZNOSA-N 0 0 399.233 5.351 40 0 GKABRN COCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409104978 231161202 /nfs/dbraw/zinc/16/12/02/231161202.db2.gz HETXOBXMPPRCSZ-UHFFFAOYSA-N 0 0 394.327 5.191 40 0 GKABRN Fc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 ZINC000409104235 231161633 /nfs/dbraw/zinc/16/16/33/231161633.db2.gz GSHFUBSJYIVQEG-UHFFFAOYSA-N 0 0 393.462 5.429 40 0 GKABRN CCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409109345 231162402 /nfs/dbraw/zinc/16/24/02/231162402.db2.gz BZKGDITZLKWYBW-UHFFFAOYSA-N 0 0 393.537 5.173 40 0 GKABRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 ZINC000409110012 231162625 /nfs/dbraw/zinc/16/26/25/231162625.db2.gz PJLDUFAHBYOZJN-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2)cc1C ZINC000409108027 231162692 /nfs/dbraw/zinc/16/26/92/231162692.db2.gz ULMSPTOTUQHRCA-UHFFFAOYSA-N 0 0 385.536 5.767 40 0 GKABRN Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccccc1F ZINC000409112012 231163189 /nfs/dbraw/zinc/16/31/89/231163189.db2.gz BHKKFKDZRRFWPF-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1ccc(COc2ccc3ccccc3c2CNc2cc(C)ccc2C)cc1 ZINC000409110417 231163310 /nfs/dbraw/zinc/16/33/10/231163310.db2.gz BVFHSAQCXJWIKQ-UHFFFAOYSA-N 0 0 381.519 6.956 40 0 GKABRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000409111018 231163448 /nfs/dbraw/zinc/16/34/48/231163448.db2.gz AODOSFCAXVXUPO-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000409176353 231174653 /nfs/dbraw/zinc/17/46/53/231174653.db2.gz LFMDDHZAAWKGQV-HXUWFJFHSA-N 0 0 385.246 5.774 40 0 GKABRN Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000409173151 231174778 /nfs/dbraw/zinc/17/47/78/231174778.db2.gz LBWMPFQXIGMPOW-HNNXBMFYSA-N 0 0 379.978 5.179 40 0 GKABRN Cc1cccc(OCc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)c1 ZINC000409178860 231175135 /nfs/dbraw/zinc/17/51/35/231175135.db2.gz NTHPHPFAZFTTHE-UHFFFAOYSA-N 0 0 397.268 5.556 40 0 GKABRN Clc1ccc(OCc2ccccc2Cl)c(-c2nc3ccccc3s2)c1 ZINC000409191490 231177106 /nfs/dbraw/zinc/17/71/06/231177106.db2.gz XGMFZMRQMDBSHJ-UHFFFAOYSA-N 0 0 386.303 6.849 40 0 GKABRN Clc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409190211 231177183 /nfs/dbraw/zinc/17/71/83/231177183.db2.gz PWWWBZYABBXCEW-FHLIZLRMSA-N 0 0 378.697 5.737 40 0 GKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409192785 231177267 /nfs/dbraw/zinc/17/72/67/231177267.db2.gz BBZFHFLCUVXKIE-UHFFFAOYSA-N 0 0 395.764 5.783 40 0 GKABRN COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409190031 231177340 /nfs/dbraw/zinc/17/73/40/231177340.db2.gz UXXOHTPXJAFWET-OQLLNIDSSA-N 0 0 380.252 5.243 40 0 GKABRN COc1c(Br)cc(-c2nc3ccccc3s2)cc1Br ZINC000409190869 231177515 /nfs/dbraw/zinc/17/75/15/231177515.db2.gz XHTYFGIOHPIKOZ-UHFFFAOYSA-N 0 0 399.107 5.497 40 0 GKABRN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409195933 231178304 /nfs/dbraw/zinc/17/83/04/231178304.db2.gz SVAGSXBZBHQUJA-UHFFFAOYSA-N 0 0 396.657 6.071 40 0 GKABRN Cc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(C)cc1 ZINC000409196514 231178342 /nfs/dbraw/zinc/17/83/42/231178342.db2.gz OJZAEZWUMMYBKN-QPLCGJKRSA-N 0 0 398.531 5.779 40 0 GKABRN Fc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409196237 231178452 /nfs/dbraw/zinc/17/84/52/231178452.db2.gz OGHBYGPMSDAIOM-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN O=C(Nc1ccc(F)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409198480 231178657 /nfs/dbraw/zinc/17/86/57/231178657.db2.gz BCAPEQZIDOGTGC-UHFFFAOYSA-N 0 0 380.202 5.557 40 0 GKABRN O=C(Nc1ccc2ccccc2c1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000409196218 231178719 /nfs/dbraw/zinc/17/87/19/231178719.db2.gz NZNOGOLWJBQFCA-UHFFFAOYSA-N 0 0 377.827 5.918 40 0 GKABRN Clc1ccc(OCc2nc(SCc3cccc4ccccc43)n[nH]2)cc1 ZINC000409384859 231198233 /nfs/dbraw/zinc/19/82/33/231198233.db2.gz FUDSMZPSVACTBF-UHFFFAOYSA-N 0 0 381.888 5.483 40 0 GKABRN O=C1/C(=C/c2cccc(Br)c2)c2ccccc2N1c1ccccc1 ZINC000409206064 231180320 /nfs/dbraw/zinc/18/03/20/231180320.db2.gz MCDSRPVTWSLRTP-XMHGGMMESA-N 0 0 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CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1 ZINC000007073164 529430371 /nfs/dbraw/zinc/43/03/71/529430371.db2.gz JCYAHUGZNKWLKL-GFCCVEGCSA-N 0 0 388.920 5.789 40 0 GKABRN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408622737 529430750 /nfs/dbraw/zinc/43/07/50/529430750.db2.gz RGMYZNFDSUYQCI-CYBMUJFWSA-N 0 0 388.294 7.019 40 0 GKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000222989137 222622376 /nfs/dbraw/zinc/62/23/76/222622376.db2.gz IMRGKUMZSMARSU-JOCHJYFZSA-N 0 0 375.468 5.892 40 0 GKABRN Fc1cccc2c(-c3ccc(Br)cc3)nn(Cc3ccccc3)c21 ZINC000504668107 231337273 /nfs/dbraw/zinc/33/72/73/231337273.db2.gz SLXORLYGKHZZTQ-UHFFFAOYSA-N 0 0 381.248 5.653 40 0 GKABRN CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3ccccc3)c21 ZINC000409198079 529549086 /nfs/dbraw/zinc/54/90/86/529549086.db2.gz WOLQCUMADIHDLD-UHFFFAOYSA-N 0 0 375.390 5.418 40 0 GKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)ccc1Br ZINC000223021854 222623342 /nfs/dbraw/zinc/62/33/42/222623342.db2.gz 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399.600 6.197 40 0 GKABRN O=C(CCSc1ccc(Cl)cc1)NCCOc1ccc2ccccc2c1 ZINC000223582378 222636773 /nfs/dbraw/zinc/63/67/73/222636773.db2.gz MCBKPLDSUOIITI-UHFFFAOYSA-N 0 0 385.916 5.171 40 0 GKABRN Cc1ccc(S[C@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 ZINC000016779278 210196127 /nfs/dbraw/zinc/19/61/27/210196127.db2.gz OQFWONWPXUHIHM-VXKWHMMOSA-N 0 0 388.561 6.201 40 0 GKABRN Brc1ccc(Cn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000016740584 210195120 /nfs/dbraw/zinc/19/51/20/210195120.db2.gz KFMAFKVUVYAMBL-UHFFFAOYSA-N 0 0 377.285 5.438 40 0 GKABRN Cc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1 ZINC000223603498 222637804 /nfs/dbraw/zinc/63/78/04/222637804.db2.gz HJAARHNMDLQIMR-SANMLTNESA-N 0 0 387.523 5.711 40 0 GKABRN CC(C)(C)c1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000223647238 222638241 /nfs/dbraw/zinc/63/82/41/222638241.db2.gz KHQKOCSJVOJXNV-UHFFFAOYSA-N 0 0 387.523 5.311 40 0 GKABRN CCCCCCc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 ZINC000016638442 210193508 /nfs/dbraw/zinc/19/35/08/210193508.db2.gz 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JYKRKVUDCBWPDH-SOFGYWHQSA-N 0 0 386.278 6.522 40 0 GKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccccc2Cl)O[C@H](c2ccc(Cl)cc2)C1 ZINC000257323380 209076706 /nfs/dbraw/zinc/07/67/06/209076706.db2.gz WJXUYYQTJFBIBE-ZVDOUQERSA-N 0 0 392.326 5.871 40 0 GKABRN Cc1ccc([C@H]2CCC[N@H+](Cc3ccc(-c4ccccc4C(=O)[O-])cc3)C2)nc1 ZINC000257333822 209079084 /nfs/dbraw/zinc/07/90/84/209079084.db2.gz YDFFFBOCYOYUBI-NRFANRHFSA-N 0 0 386.495 5.135 40 0 GKABRN Clc1cccc2[nH]c(-c3cc(I)ccc3Cl)nc21 ZINC000020156699 209083478 /nfs/dbraw/zinc/08/34/78/209083478.db2.gz DENCKYDNVQAWMV-UHFFFAOYSA-N 0 0 389.023 5.141 40 0 GKABRN CC(C)c1ccc(Nc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000022053512 221551942 /nfs/dbraw/zinc/55/19/42/221551942.db2.gz PQANSFFELSMBLU-UHFFFAOYSA-N 0 0 399.416 6.220 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(C)cccc1C(C)C ZINC000022245494 221556120 /nfs/dbraw/zinc/55/61/20/221556120.db2.gz GKAJCWGXIYSKLI-UHFFFAOYSA-N 0 0 379.529 5.904 40 0 GKABRN CN(Cc1ccc(Cl)cc1)C(=O)CSCc1c(Cl)cccc1Cl ZINC000022519033 221562648 /nfs/dbraw/zinc/56/26/48/221562648.db2.gz HEOBIYVLGAAEIA-UHFFFAOYSA-N 0 0 388.747 5.539 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2nc3ccc(OCCCC)cc3s2)cc1 ZINC000026505472 221642545 /nfs/dbraw/zinc/64/25/45/221642545.db2.gz ZEFBFYBBUOMXAX-UHFFFAOYSA-N 0 0 398.528 5.906 40 0 GKABRN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000028224886 221670114 /nfs/dbraw/zinc/67/01/14/221670114.db2.gz NHKIZGUHFXMMKS-UHFFFAOYSA-N 0 0 375.516 5.406 40 0 GKABRN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)Nc1ccc(F)cc1F ZINC000028305956 221675689 /nfs/dbraw/zinc/67/56/89/221675689.db2.gz IRBHOYNMBVNAKZ-UHFFFAOYSA-N 0 0 397.212 5.160 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000030855074 221705011 /nfs/dbraw/zinc/70/50/11/221705011.db2.gz WUZGUXPEXFQXBJ-MRXNPFEDSA-N 0 0 396.712 5.515 40 0 GKABRN COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1 ZINC000035311772 221816693 /nfs/dbraw/zinc/81/66/93/221816693.db2.gz CAPCFJNFGCAMSX-UHFFFAOYSA-N 0 0 397.906 5.186 40 0 GKABRN O=c1nc2n(c3sc4c(c31)CCCC4)/C(=C/Sc1ccccc1)CS2 ZINC000036625363 221863067 /nfs/dbraw/zinc/86/30/67/221863067.db2.gz AMMWAMZQUNGHCN-ZRDIBKRKSA-N 0 0 384.551 5.033 40 0 GKABRN CCCC[C@@H](CC)CNC(=O)COc1ccc(C(C)C)cc1Br ZINC000040942314 221934536 /nfs/dbraw/zinc/93/45/36/221934536.db2.gz FGTOHKFNTAJLLE-OAHLLOKOSA-N 0 0 384.358 5.284 40 0 GKABRN CCCCc1ccc(NC(=O)COc2ccc(CC)cc2Br)cc1 ZINC000040942480 221935023 /nfs/dbraw/zinc/93/50/23/221935023.db2.gz NGLBQLDGRRDFOH-UHFFFAOYSA-N 0 0 390.321 5.372 40 0 GKABRN CC(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(Br)c1 ZINC000040942927 221935261 /nfs/dbraw/zinc/93/52/61/221935261.db2.gz FWDJNRVVAOIEMA-UHFFFAOYSA-N 0 0 382.685 5.243 40 0 GKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccccc3)c2)cc1 ZINC000044947271 221958414 /nfs/dbraw/zinc/95/84/14/221958414.db2.gz GAYHDIJFDRLSKK-UHFFFAOYSA-N 0 0 385.507 5.786 40 0 GKABRN C[C@H](Oc1ccccc1)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000041086015 221938130 /nfs/dbraw/zinc/93/81/30/221938130.db2.gz OJTUJQZBOOVRDZ-AWEZNQCLSA-N 0 0 376.387 5.040 40 0 GKABRN C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(F)cc1 ZINC000044850343 221955522 /nfs/dbraw/zinc/95/55/22/221955522.db2.gz VOCCSBTWDKAGQL-KRWDZBQOSA-N 0 0 395.499 5.488 40 0 GKABRN CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C)cc1 ZINC000044850223 221955586 /nfs/dbraw/zinc/95/55/86/221955586.db2.gz DBZGZUIQMCZWQC-DEOSSOPVSA-N 0 0 384.523 5.439 40 0 GKABRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000057333415 222030503 /nfs/dbraw/zinc/03/05/03/222030503.db2.gz ZDDIJCDKDNUBOU-UHFFFAOYSA-N 0 0 398.249 5.127 40 0 GKABRN CC1(C)[C@@H]2C[C@H]1C[C@@H]1[C@@H]2C(N)=C(c2ccccc2)[P@@]1(=O)Cc1ccccc1 ZINC000049843153 222003427 /nfs/dbraw/zinc/00/34/27/222003427.db2.gz IRGYKPHHAIGJOT-DCOOWMKZSA-N 0 0 377.468 5.942 40 0 GKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000059241779 222055957 /nfs/dbraw/zinc/05/59/57/222055957.db2.gz RNDGXLUUXKUDDB-UHFFFAOYSA-N 0 0 397.927 6.287 40 0 GKABRN CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000061431569 222061037 /nfs/dbraw/zinc/06/10/37/222061037.db2.gz IZPNTKZXQHPTAU-UHFFFAOYSA-N 0 0 384.435 5.660 40 0 GKABRN O=C1Nc2c(-c3cccc(C(F)(F)F)c3)sc(=S)n2[C@H]2CCCC[C@H]12 ZINC000067341464 222147185 /nfs/dbraw/zinc/14/71/85/222147185.db2.gz PDTHYVVYCIDTNK-RYUDHWBXSA-N 0 0 384.448 6.298 40 0 GKABRN O=C(Nc1nc(-c2ccncc2)c(-c2cccs2)s1)c1ccccc1Cl ZINC000072342710 222231013 /nfs/dbraw/zinc/23/10/13/222231013.db2.gz LZCNTDHWKDFCOU-UHFFFAOYSA-N 0 0 397.912 5.839 40 0 GKABRN O=C(C1CCCC1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349658 222236225 /nfs/dbraw/zinc/23/62/25/222236225.db2.gz ULGAAUBBEMWUAR-IBGZPJMESA-N 0 0 382.935 5.222 40 0 GKABRN O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3ccccc3)n2)C1 ZINC000072361033 222241486 /nfs/dbraw/zinc/24/14/86/222241486.db2.gz BWZSOGOFOVXIFG-OAQYLSRUSA-N 0 0 393.490 5.317 40 0 GKABRN Cc1cc2nc(Cc3ccc(Br)cc3)oc2c(Br)c1C ZINC000073638783 222270572 /nfs/dbraw/zinc/27/05/72/222270572.db2.gz GZNSNKWZCMMICR-UHFFFAOYSA-N 0 0 395.094 5.560 40 0 GKABRN Nc1c(Cl)cc(-c2nnc(-c3cc(Cl)c(N)c(Cl)c3)o2)cc1Cl ZINC000073634486 222270696 /nfs/dbraw/zinc/27/06/96/222270696.db2.gz ILWURHQRRNCVKE-UHFFFAOYSA-N 0 0 390.057 5.182 40 0 GKABRN CCCCC[C@@H](CC)OC(=O)c1cccc(C(=O)O[C@@H](CC)CCCCC)c1 ZINC000095868200 222361088 /nfs/dbraw/zinc/36/10/88/222361088.db2.gz HJRBRVSWKNUUCW-SZPZYZBQSA-N 0 0 390.564 6.718 40 0 GKABRN Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NC(C)C)cc43)cs2)cc1 ZINC000096154487 222392144 /nfs/dbraw/zinc/39/21/44/222392144.db2.gz FOXMIGPTTDCLKX-UHFFFAOYSA-N 0 0 377.469 5.065 40 0 GKABRN Clc1cccc(-c2nn3c(nnc3-c3cc4ccccc4o3)s2)c1Cl ZINC000096193800 222397123 /nfs/dbraw/zinc/39/71/23/222397123.db2.gz ALMJSLXUUIDWSD-UHFFFAOYSA-N 0 0 387.251 5.573 40 0 GKABRN Cc1c2ccccc2oc1-c1nnc2sc(-c3cccc4ccccc43)nn21 ZINC000096194236 222397433 /nfs/dbraw/zinc/39/74/33/222397433.db2.gz SEGLWRJJOTYCGO-UHFFFAOYSA-N 0 0 382.448 5.728 40 0 GKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000408698780 533684752 /nfs/dbraw/zinc/68/47/52/533684752.db2.gz PMXBNTHCJLCTTJ-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(C)c2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc21 ZINC000408622771 533718995 /nfs/dbraw/zinc/71/89/95/533718995.db2.gz RLCPDAUSUCYFDM-UHFFFAOYSA-N 0 0 394.540 5.978 40 0 GKABRN COc1ccc(CSCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000409148709 533730117 /nfs/dbraw/zinc/73/01/17/533730117.db2.gz ZYJMATIFJSJVFF-UHFFFAOYSA-N 0 0 389.826 5.239 40 0 GKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc(F)cc1 ZINC000408907767 533752065 /nfs/dbraw/zinc/75/20/65/533752065.db2.gz QYLFUMOBECJKGF-GXDHUFHOSA-N 0 0 377.484 6.078 40 0 GKABRN COc1ccc(Cc2nnc(SCc3cccc4ccccc43)o2)cc1OC ZINC000007605133 533811627 /nfs/dbraw/zinc/81/16/27/533811627.db2.gz OASAAWOXAWPFIN-UHFFFAOYSA-N 0 0 392.480 5.123 40 0 GKABRN COc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000408874156 533833437 /nfs/dbraw/zinc/83/34/37/533833437.db2.gz ZJRXVXHOKNKBOT-SXGWCWSVSA-N 0 0 394.279 5.239 40 0 GKABRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccccc1 ZINC000408700225 533876940 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ZINC000409114667 533911252 /nfs/dbraw/zinc/91/12/52/533911252.db2.gz IAXGICGRVYZJAW-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 ZINC000409115131 533911523 /nfs/dbraw/zinc/91/15/23/533911523.db2.gz KJRNJKSJVPMZSM-UHFFFAOYSA-N 0 0 385.866 5.987 40 0 GKABRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OC ZINC000008109895 533911855 /nfs/dbraw/zinc/91/18/55/533911855.db2.gz OQOUWSORWZQJHB-UHFFFAOYSA-N 0 0 391.092 5.385 40 0 GKABRN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCC(C)C)C2=O)cc1 ZINC000408599820 533914774 /nfs/dbraw/zinc/91/47/74/533914774.db2.gz LNJHJLUNWSWHHG-NDENLUEZSA-N 0 0 381.497 5.266 40 0 GKABRN COc1cc(CNc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409115263 533915920 /nfs/dbraw/zinc/91/59/20/533915920.db2.gz ICFVBTPFYWNATF-UHFFFAOYSA-N 0 0 398.300 5.649 40 0 GKABRN COc1cc(CNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000107040491 533916246 /nfs/dbraw/zinc/91/62/46/533916246.db2.gz JYRMTMOZJVCSSB-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409113525 533916643 /nfs/dbraw/zinc/91/66/43/533916643.db2.gz BOCCXDMNINETGH-UHFFFAOYSA-N 0 0 385.866 5.987 40 0 GKABRN COc1cc(COc2ccc(Cl)cc2C=O)ccc1OCc1ccccc1 ZINC000408540487 533917079 /nfs/dbraw/zinc/91/70/79/533917079.db2.gz SKNUULMXHUUDLE-UHFFFAOYSA-N 0 0 382.843 5.319 40 0 GKABRN Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2ccccc2s1 ZINC000408628244 533921818 /nfs/dbraw/zinc/92/18/18/533921818.db2.gz RIFIUJJUKGNNMU-UHFFFAOYSA-N 0 0 383.542 5.131 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000408702872 533926760 /nfs/dbraw/zinc/92/67/60/533926760.db2.gz JEYYTLYKYBPEFV-MRXNPFEDSA-N 0 0 397.927 6.038 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2Cl)cc(C)c1Cl ZINC000408703129 534032397 /nfs/dbraw/zinc/03/23/97/534032397.db2.gz NLILRSVYIXEGHI-GFCCVEGCSA-N 0 0 386.706 5.347 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc(C)c1Cl ZINC000408705700 534032470 /nfs/dbraw/zinc/03/24/70/534032470.db2.gz 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CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000409112944 528285779 /nfs/dbraw/zinc/28/57/79/528285779.db2.gz MOEBUXWEJJORCI-UHFFFAOYSA-N 0 0 399.893 6.377 40 0 GKABRN CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000059055970 528285962 /nfs/dbraw/zinc/28/59/62/528285962.db2.gz HKAPQFMSZSZPMJ-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1F ZINC000409119242 528286074 /nfs/dbraw/zinc/28/60/74/528286074.db2.gz SCUUHMPMZNJZRD-UHFFFAOYSA-N 0 0 379.475 6.032 40 0 GKABRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000107042500 528286078 /nfs/dbraw/zinc/28/60/78/528286078.db2.gz GLTYVTHBADAKIL-UHFFFAOYSA-N 0 0 399.893 6.377 40 0 GKABRN CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 ZINC000409111737 528286130 /nfs/dbraw/zinc/28/61/30/528286130.db2.gz BWLBQLSNJZKQSR-UHFFFAOYSA-N 0 0 381.447 5.424 40 0 GKABRN CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 ZINC000059055971 528286173 /nfs/dbraw/zinc/28/61/73/528286173.db2.gz OJPRVUUQOBUFQT-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 ZINC000409115995 528286983 /nfs/dbraw/zinc/28/69/83/528286983.db2.gz KYCXUKWEKQXAFE-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 ZINC000409120117 528287081 /nfs/dbraw/zinc/28/70/81/528287081.db2.gz RQTKRAGYCJDYOJ-UHFFFAOYSA-N 0 0 395.930 6.547 40 0 GKABRN CCOc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OC ZINC000409115662 528287239 /nfs/dbraw/zinc/28/72/39/528287239.db2.gz KHPQQHYBKXRQMC-UHFFFAOYSA-N 0 0 384.701 5.430 40 0 GKABRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OC ZINC000408557801 528335237 /nfs/dbraw/zinc/33/52/37/528335237.db2.gz PYMPOJPESRXVGK-SFHVURJKSA-N 0 0 398.311 5.179 40 0 GKABRN CCOc1ccc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc1OC ZINC000408994352 528355426 /nfs/dbraw/zinc/35/54/26/528355426.db2.gz YTAWHDXYFMOVBK-UHFFFAOYSA-N 0 0 384.501 5.130 40 0 GKABRN CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OCC ZINC000408988109 528355871 /nfs/dbraw/zinc/35/58/71/528355871.db2.gz GXJRGAMHYCHVBK-UHFFFAOYSA-N 0 0 384.501 5.130 40 0 GKABRN CCOc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1 ZINC000408832199 528356017 /nfs/dbraw/zinc/35/60/17/528356017.db2.gz QHOXGQXAJNTMJO-UHFFFAOYSA-N 0 0 396.556 5.672 40 0 GKABRN CCOc1ccc(Br)cc1CNc1ccc(Br)cc1 ZINC000106956463 528375405 /nfs/dbraw/zinc/37/54/05/528375405.db2.gz KIMIRRNNMMCWFY-UHFFFAOYSA-N 0 0 385.099 5.222 40 0 GKABRN CCOc1ccc(Br)cc1CNc1ccc(Br)cc1C ZINC000408607383 528375507 /nfs/dbraw/zinc/37/55/07/528375507.db2.gz KKEGWZGAINMRAI-UHFFFAOYSA-N 0 0 399.126 5.531 40 0 GKABRN CCCNC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408977463 528419636 /nfs/dbraw/zinc/41/96/36/528419636.db2.gz DNZZZDUGWFNCGS-UHFFFAOYSA-N 0 0 394.525 5.618 40 0 GKABRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000409061363 528451391 /nfs/dbraw/zinc/45/13/91/528451391.db2.gz WJUHFCOBMYGVKT-UYRXBGFRSA-N 0 0 385.460 5.241 40 0 GKABRN CCCCN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000409051142 528451575 /nfs/dbraw/zinc/45/15/75/528451575.db2.gz APLTWRSCBRGAOV-LGMDPLHJSA-N 0 0 389.561 5.824 40 0 GKABRN CCC(=O)c1ccc(OC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 ZINC000409171588 528462753 /nfs/dbraw/zinc/46/27/53/528462753.db2.gz AKZAGJMPVUPSIK-UHFFFAOYSA-N 0 0 390.435 5.086 40 0 GKABRN CCOc1ccc(CNc2ccc(Br)cc2C)cc1Br ZINC000408614171 528465333 /nfs/dbraw/zinc/46/53/33/528465333.db2.gz ZJPFRGKWVSIFNF-UHFFFAOYSA-N 0 0 399.126 5.531 40 0 GKABRN CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br ZINC000106980287 528465945 /nfs/dbraw/zinc/46/59/45/528465945.db2.gz CSITXQZJVJRZNX-UHFFFAOYSA-N 0 0 375.093 5.767 40 0 GKABRN CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408556118 528465957 /nfs/dbraw/zinc/46/59/57/528465957.db2.gz HUARQTQEQIMFAJ-UHFFFAOYSA-N 0 0 375.093 5.767 40 0 GKABRN CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC2CCCCC2)C1=O ZINC000409136371 528471581 /nfs/dbraw/zinc/47/15/81/528471581.db2.gz UDWAVPPDGVOPGR-BOPFTXTBSA-N 0 0 379.909 5.355 40 0 GKABRN CCOc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000408620465 528553508 /nfs/dbraw/zinc/55/35/08/528553508.db2.gz JBOLOWAPNQWFQT-UHFFFAOYSA-N 0 0 384.888 5.019 40 0 GKABRN CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000409129546 528554243 /nfs/dbraw/zinc/55/42/43/528554243.db2.gz HAXKWGATNROOSP-UHFFFAOYSA-N 0 0 385.866 6.069 40 0 GKABRN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 ZINC000059477510 528564510 /nfs/dbraw/zinc/56/45/10/528564510.db2.gz OVIIWSXJKVLDDA-JQIJEIRASA-N 0 0 389.451 5.555 40 0 GKABRN CCCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000057316136 528580049 /nfs/dbraw/zinc/58/00/49/528580049.db2.gz HDYVDYDGHBNUII-UHFFFAOYSA-N 0 0 397.515 5.347 40 0 GKABRN CCCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1OCC ZINC000106992760 528611392 /nfs/dbraw/zinc/61/13/92/528611392.db2.gz NKNUUQSDZDRQLV-UHFFFAOYSA-N 0 0 394.309 5.257 40 0 GKABRN CCCc1ccc(-c2c/c(=N\S(=O)(=O)c3ccc(C)cc3)ss2)cc1 ZINC000408730533 528614162 /nfs/dbraw/zinc/61/41/62/528614162.db2.gz HMNICNFMLNCGKN-FMQUCBEESA-N 0 0 389.567 5.027 40 0 GKABRN CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@@H]1c1cccc(Cl)c1Cl ZINC000408989556 528617511 /nfs/dbraw/zinc/61/75/11/528617511.db2.gz LFXWDGWQCMZIEV-MRXNPFEDSA-N 0 0 397.327 5.541 40 0 GKABRN CCOc1ccc2ccc(OCC)c(/C=C3/c4ccccc4N(CC)C3=O)c2c1 ZINC000409117333 528623225 /nfs/dbraw/zinc/62/32/25/528623225.db2.gz LJDBMEIMOOJSLS-JWGURIENSA-N 0 0 387.479 5.544 40 0 GKABRN CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccccc2F)NC1=O ZINC000408812631 528624335 /nfs/dbraw/zinc/62/43/35/528624335.db2.gz XABCKGRPIQTBIV-UHFFFAOYSA-N 0 0 393.463 5.141 40 0 GKABRN CCOc1ccc2ccccc2c1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408553606 528624445 /nfs/dbraw/zinc/62/44/45/528624445.db2.gz ANINDBWCMPRKSE-OAQYLSRUSA-N 0 0 383.900 5.671 40 0 GKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC ZINC000408567980 528641491 /nfs/dbraw/zinc/64/14/91/528641491.db2.gz REBNKBANOYOSSZ-UXBLZVDNSA-N 0 0 394.298 5.833 40 0 GKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC ZINC000106708067 528642557 /nfs/dbraw/zinc/64/25/57/528642557.db2.gz AQYALZRUYSOEPH-MOSHPQCFSA-N 0 0 397.496 5.029 40 0 GKABRN CCCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000008904041 528654067 /nfs/dbraw/zinc/65/40/67/528654067.db2.gz SJBPMCFLEFJUNF-UHFFFAOYSA-N 0 0 381.472 5.217 40 0 GKABRN CCCCOc1ccc(-c2nc(=O)c3c(C)c(C)sc3[nH]2)c2ccccc12 ZINC000408734067 528655762 /nfs/dbraw/zinc/65/57/62/528655762.db2.gz CSTRRXHXMBRBDW-UHFFFAOYSA-N 0 0 378.497 6.013 40 0 GKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000106688918 528657638 /nfs/dbraw/zinc/65/76/38/528657638.db2.gz YPHUIRGQYMNZMY-UYRXBGFRSA-N 0 0 385.460 5.241 40 0 GKABRN CCCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000409305661 528658163 /nfs/dbraw/zinc/65/81/63/528658163.db2.gz WJPSYPFTJCBTTK-XMHGGMMESA-N 0 0 383.469 5.115 40 0 GKABRN CCCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OC ZINC000408558991 528690590 /nfs/dbraw/zinc/69/05/90/528690590.db2.gz TZQBIWUCYXVBBZ-UHFFFAOYSA-N 0 0 384.701 5.512 40 0 GKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C ZINC000408589263 528693596 /nfs/dbraw/zinc/69/35/96/528693596.db2.gz ZQPQOKWBIDIJHV-UHFFFAOYSA-N 0 0 382.685 5.452 40 0 GKABRN CC(C)Cn1c(SCc2ccccc2F)nnc1-c1ccc(Cl)cc1 ZINC000409104594 528694771 /nfs/dbraw/zinc/69/47/71/528694771.db2.gz JXWUJNOZSYDQTM-UHFFFAOYSA-N 0 0 375.900 5.686 40 0 GKABRN CC(C)Cn1c(SCCOc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000409097563 528695864 /nfs/dbraw/zinc/69/58/64/528695864.db2.gz OFUCYZAZBIECBI-UHFFFAOYSA-N 0 0 387.936 5.426 40 0 GKABRN CCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 ZINC000408998656 528695994 /nfs/dbraw/zinc/69/59/94/528695994.db2.gz RRZCMEXBJCGDCQ-QFIPXVFZSA-N 0 0 376.431 5.386 40 0 GKABRN CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC ZINC000408556678 528726421 /nfs/dbraw/zinc/72/64/21/528726421.db2.gz JYVFXVYKRQXZBY-HXUWFJFHSA-N 0 0 391.920 5.306 40 0 GKABRN CCCCSC1=N[C@@H](c2ccccc2)C(C(=O)OCC)=C(c2ccccc2)N1 ZINC000408985861 528729510 /nfs/dbraw/zinc/72/95/10/528729510.db2.gz BHCJBGNPJOCGOR-FQEVSTJZSA-N 0 0 394.540 5.195 40 0 GKABRN CCOc1ccccc1NC(=S)NCCSCc1c(F)cccc1Cl ZINC000225367455 528745852 /nfs/dbraw/zinc/74/58/52/528745852.db2.gz ZYUADKZDQHKVJA-UHFFFAOYSA-N 0 0 398.956 5.098 40 0 GKABRN CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccccc1 ZINC000408561738 528804823 /nfs/dbraw/zinc/80/48/23/528804823.db2.gz KRYMWZPUIMIHLO-LNVKXUELSA-N 0 0 384.932 5.584 40 0 GKABRN CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561979 528804899 /nfs/dbraw/zinc/80/48/99/528804899.db2.gz MHYALGJGTKZPSS-GYHWCHFESA-N 0 0 398.959 5.892 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408562698 528805236 /nfs/dbraw/zinc/80/52/36/528805236.db2.gz RLLGEJYRGAGOJH-VHXPQNKSSA-N 0 0 378.541 5.547 40 0 GKABRN CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccccc1 ZINC000409196678 528807359 /nfs/dbraw/zinc/80/73/59/528807359.db2.gz RDYPKRHDCGBQLM-UHFFFAOYSA-N 0 0 378.497 5.364 40 0 GKABRN CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408821503 528807451 /nfs/dbraw/zinc/80/74/51/528807451.db2.gz IISGOKBTBWOBFB-UHFFFAOYSA-N 0 0 392.311 5.717 40 0 GKABRN CCCc1sc(NC(=O)c2ccncc2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000408837082 528807503 /nfs/dbraw/zinc/80/75/03/528807503.db2.gz YSIKARKIFKIEDJ-UHFFFAOYSA-N 0 0 392.311 5.717 40 0 GKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cc(OC)cc(OC)c1 ZINC000408820921 528807708 /nfs/dbraw/zinc/80/77/08/528807708.db2.gz ALXVCFUWSXSMOE-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cc(OC)ccc1OC ZINC000408822033 528807850 /nfs/dbraw/zinc/80/78/50/528807850.db2.gz BAFSAAHNUKAZTH-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCn1c(SCCOc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 ZINC000409099088 528823409 /nfs/dbraw/zinc/82/34/09/528823409.db2.gz QAXARTAQBGIAAQ-UHFFFAOYSA-N 0 0 387.936 5.488 40 0 GKABRN CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(Cl)cc1 ZINC000409119875 528831932 /nfs/dbraw/zinc/83/19/32/528831932.db2.gz RICFQZIPMXTRRX-UHFFFAOYSA-N 0 0 392.977 5.864 40 0 GKABRN CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(F)cc1 ZINC000409114349 528832371 /nfs/dbraw/zinc/83/23/71/528832371.db2.gz HEXHQJBAMBMMMG-UHFFFAOYSA-N 0 0 376.522 5.349 40 0 GKABRN CCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2OC)c2ccccc21 ZINC000409112758 528944416 /nfs/dbraw/zinc/94/44/16/528944416.db2.gz CUBVQSXRZMRXQS-ZROIWOOFSA-N 0 0 392.680 5.018 40 0 GKABRN CCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O ZINC000409096941 528953611 /nfs/dbraw/zinc/95/36/11/528953611.db2.gz MQBZMRMIWGGWDR-WJDWOHSUSA-N 0 0 375.902 5.547 40 0 GKABRN CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O ZINC000409102333 528953631 /nfs/dbraw/zinc/95/36/31/528953631.db2.gz YVWPRLRHWBNJRG-DEDYPNTBSA-N 0 0 376.481 5.054 40 0 GKABRN CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C1=O ZINC000409094512 528953793 /nfs/dbraw/zinc/95/37/93/528953793.db2.gz FKHXMWPQZIGTEA-KGENOOAVSA-N 0 0 389.476 5.475 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000408706068 529159448 /nfs/dbraw/zinc/15/94/48/529159448.db2.gz UQIRZNLNNJZIED-DEOSSOPVSA-N 0 0 389.495 5.082 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000408702884 529159591 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Cc1ccc(NC(=O)c2cccnc2Nc2ccccc2Br)cc1 ZINC000022053832 570303625 /nfs/dbraw/zinc/30/36/25/570303625.db2.gz OOFRMPKKUSZWLZ-UHFFFAOYSA-N 0 0 382.261 5.148 40 0 GKABRN O=C(Nc1cccc(F)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072207 570304233 /nfs/dbraw/zinc/30/42/33/570304233.db2.gz MNFSJFOXRDBMKL-UHFFFAOYSA-N 0 0 376.218 5.523 40 0 GKABRN COc1ccccc1NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072133 570304279 /nfs/dbraw/zinc/30/42/79/570304279.db2.gz YKMIMMFHTINZOG-UHFFFAOYSA-N 0 0 387.361 5.105 40 0 GKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072401 570304527 /nfs/dbraw/zinc/30/45/27/570304527.db2.gz OWYIDFADHCBWEQ-UHFFFAOYSA-N 0 0 392.673 6.038 40 0 GKABRN O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(C(F)(F)F)cc1 ZINC000022072368 570304559 /nfs/dbraw/zinc/30/45/59/570304559.db2.gz PWCCDBQKKODSSJ-UHFFFAOYSA-N 0 0 391.780 5.750 40 0 GKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(Cl)c1 ZINC000022072744 570304600 /nfs/dbraw/zinc/30/46/00/570304600.db2.gz IRJLOGHYDFDTLR-UHFFFAOYSA-N 0 0 376.218 5.523 40 0 GKABRN Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 ZINC000021578479 570304890 /nfs/dbraw/zinc/30/48/90/570304890.db2.gz FMNMPQARMWQXPZ-UHFFFAOYSA-N 0 0 384.479 6.289 40 0 GKABRN Cc1cccc(C)c1NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022073074 570304958 /nfs/dbraw/zinc/30/49/58/570304958.db2.gz QYNMLOMBKPIKQV-UHFFFAOYSA-N 0 0 385.389 5.713 40 0 GKABRN C[C@]12CC[C@H]3c4ccc(OCc5ccccc5F)cc4CC[C@@H]3[C@H]1CCC2=O ZINC000105366145 570305067 /nfs/dbraw/zinc/30/50/67/570305067.db2.gz PMPCWMKSIYMXOF-FUCAVZNHSA-N 0 0 378.487 5.830 40 0 GKABRN O=C(c1ccccc1)N1C=Cc2ccccc2[C@@H]1c1cccn1-c1ccccc1 ZINC000022114916 570306054 /nfs/dbraw/zinc/30/60/54/570306054.db2.gz RHABDAQOPZWTMH-RUZDIDTESA-N 0 0 376.459 5.693 40 0 GKABRN Ic1ccc(-n2c3ccccc3nc2-c2ccccc2)cc1 ZINC000575415176 570306218 /nfs/dbraw/zinc/30/62/18/570306218.db2.gz XEWFKXBHTVNPMM-UHFFFAOYSA-N 0 0 396.231 5.297 40 0 GKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c(Cl)c1 ZINC000021580260 570306243 /nfs/dbraw/zinc/30/62/43/570306243.db2.gz XRWQMFCJBPUART-UHFFFAOYSA-N 0 0 391.858 5.453 40 0 GKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)c1 ZINC000021579040 570306307 /nfs/dbraw/zinc/30/63/07/570306307.db2.gz NQUOPYLWHFHJGC-UHFFFAOYSA-N 0 0 378.815 5.409 40 0 GKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2ccccc21 ZINC000021580558 570306555 /nfs/dbraw/zinc/30/65/55/570306555.db2.gz FAWYWKQKKWGUMP-UHFFFAOYSA-N 0 0 393.446 5.644 40 0 GKABRN CC[C@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021596125 570307329 /nfs/dbraw/zinc/30/73/29/570307329.db2.gz SFPHWFJRCUAZFL-AWEZNQCLSA-N 0 0 390.321 5.759 40 0 GKABRN Cc1cc2nc(-c3cc(N)cc(-c4nc5cc(C)c(C)cc5o4)c3)oc2cc1C ZINC000216880738 570308701 /nfs/dbraw/zinc/30/87/01/570308701.db2.gz GGQMMWLXFCGDGI-UHFFFAOYSA-N 0 0 383.451 6.119 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1Cl ZINC000022237730 570309787 /nfs/dbraw/zinc/30/97/87/570309787.db2.gz AMIQLYBXKFYGIM-UHFFFAOYSA-N 0 0 392.311 5.779 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1C(F)(F)F ZINC000022237750 570309908 /nfs/dbraw/zinc/30/99/08/570309908.db2.gz LSAUJWXSARZNTI-UHFFFAOYSA-N 0 0 391.418 5.491 40 0 GKABRN CSc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022245607 570310252 /nfs/dbraw/zinc/31/02/52/570310252.db2.gz MTLMHOQIZVPCAS-CQSZACIVSA-N 0 0 397.569 5.432 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)Cc3cc(OC)ccc3OC)ccc21 ZINC000022251084 570310482 /nfs/dbraw/zinc/31/04/82/570310482.db2.gz HNYJNCWVALHRHC-UHFFFAOYSA-N 0 0 388.467 5.013 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000022246086 570310518 /nfs/dbraw/zinc/31/05/18/570310518.db2.gz DIAJJGINEPBBMI-AWEZNQCLSA-N 0 0 383.492 5.085 40 0 GKABRN CC(C)OCCCNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000022257955 570311142 /nfs/dbraw/zinc/31/11/42/570311142.db2.gz FYFFWQLMZCJXDE-UHFFFAOYSA-N 0 0 383.598 5.150 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1OCc1ccccc1 ZINC000072212075 570313770 /nfs/dbraw/zinc/31/37/70/570313770.db2.gz NRVAPUPPQZXOSU-JOCHJYFZSA-N 0 0 388.467 5.134 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214048 570314124 /nfs/dbraw/zinc/31/41/24/570314124.db2.gz YVFULEQFUMFSHI-JOCHJYFZSA-N 0 0 393.531 5.690 40 0 GKABRN CC(C)N(c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213011 570314136 /nfs/dbraw/zinc/31/41/36/570314136.db2.gz ICVIDCGRDMHIDJ-NRFANRHFSA-N 0 0 381.520 5.179 40 0 GKABRN CC(C)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C(C)C ZINC000072212952 570314286 /nfs/dbraw/zinc/31/42/86/570314286.db2.gz OBTVJXGYGITIRY-OAQYLSRUSA-N 0 0 381.520 5.179 40 0 GKABRN CN(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072214253 570314523 /nfs/dbraw/zinc/31/45/23/570314523.db2.gz VFBIYXXBHRSQMG-QFIPXVFZSA-N 0 0 387.483 5.323 40 0 GKABRN CN(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 ZINC000072214193 570314635 /nfs/dbraw/zinc/31/46/35/570314635.db2.gz TVWFJTBVUJZVRK-QFIPXVFZSA-N 0 0 387.483 5.323 40 0 GKABRN CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217270 570316212 /nfs/dbraw/zinc/31/62/12/570316212.db2.gz OYATUEQAZPWIHK-SFHVURJKSA-N 0 0 376.566 5.969 40 0 GKABRN CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1Sc1ccccc1 ZINC000072217701 570316480 /nfs/dbraw/zinc/31/64/80/570316480.db2.gz IWCZDVNYXUEAOV-UHFFFAOYSA-N 0 0 386.517 5.111 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217596 570316529 /nfs/dbraw/zinc/31/65/29/570316529.db2.gz GCRNRDPFTDKCCL-OAQYLSRUSA-N 0 0 390.508 5.707 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217657 570316594 /nfs/dbraw/zinc/31/65/94/570316594.db2.gz WFJSMHQFHMSIME-NRFANRHFSA-N 0 0 390.508 5.707 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217656 570316640 /nfs/dbraw/zinc/31/66/40/570316640.db2.gz WFJSMHQFHMSIME-OAQYLSRUSA-N 0 0 390.508 5.707 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217597 570316710 /nfs/dbraw/zinc/31/67/10/570316710.db2.gz GCRNRDPFTDKCCL-NRFANRHFSA-N 0 0 390.508 5.707 40 0 GKABRN Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219250 570318187 /nfs/dbraw/zinc/31/81/87/570318187.db2.gz MTZGEKZBYDTTJX-QFIPXVFZSA-N 0 0 393.531 5.244 40 0 GKABRN Cc1cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCCCC1 ZINC000072219190 570318278 /nfs/dbraw/zinc/31/82/78/570318278.db2.gz QUKPQLHCUVOQDH-QFIPXVFZSA-N 0 0 393.531 5.244 40 0 GKABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000022510662 570318616 /nfs/dbraw/zinc/31/86/16/570318616.db2.gz ZJKFGGQIALPMGP-UHFFFAOYSA-N 0 0 383.447 5.680 40 0 GKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022515228 570319410 /nfs/dbraw/zinc/31/94/10/570319410.db2.gz MJUIYHGWSNGFEB-HNNXBMFYSA-N 0 0 376.642 5.582 40 0 GKABRN CCC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(C)cc3)ccc21 ZINC000585105698 570319493 /nfs/dbraw/zinc/31/94/93/570319493.db2.gz DQIIBVQJDNUMIX-LJQANCHMSA-N 0 0 377.528 5.493 40 0 GKABRN CCC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(C)c3)ccc21 ZINC000585105683 570319501 /nfs/dbraw/zinc/31/95/01/570319501.db2.gz CDEDXOYRNJKKII-LJQANCHMSA-N 0 0 377.528 5.493 40 0 GKABRN Cc1ccc(C(=O)N2CC3(CCOCC3)c3cc(-c4cccc(F)c4)ccc32)o1 ZINC000585105851 570319520 /nfs/dbraw/zinc/31/95/20/570319520.db2.gz TXXGAWZSTXQRLF-UHFFFAOYSA-N 0 0 391.442 5.103 40 0 GKABRN Cc1cccc(-c2ccc3c(c2)C2(CN3C(=O)c3cccc(O)c3)CCOCC2)c1 ZINC000585105908 570319614 /nfs/dbraw/zinc/31/96/14/570319614.db2.gz YEMWOYAVQNHDIH-UHFFFAOYSA-N 0 0 399.490 5.076 40 0 GKABRN CCC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(OC)cc3)ccc21 ZINC000585106145 570319626 /nfs/dbraw/zinc/31/96/26/570319626.db2.gz RMJXVSDCPBSDGC-SFHVURJKSA-N 0 0 393.527 5.193 40 0 GKABRN O=c1cc(O)c(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)c(Cl)[nH]1 ZINC000585090195 570319638 /nfs/dbraw/zinc/31/96/38/570319638.db2.gz JEGVCMBXBGVMLL-UHFFFAOYSA-N 0 0 381.737 5.379 40 0 GKABRN Cc1ccc(-c2ccc3c(c2)C2(CN3C(=O)c3cccc(O)c3)CCOCC2)cc1 ZINC000585105883 570319726 /nfs/dbraw/zinc/31/97/26/570319726.db2.gz WMTNTVXZMISRJG-UHFFFAOYSA-N 0 0 399.490 5.076 40 0 GKABRN CC(C)N(Cc1cccc(Br)c1)c1cccc(OC(F)(F)F)c1 ZINC000585090253 570319742 /nfs/dbraw/zinc/31/97/42/570319742.db2.gz YTZWZFRZHJCXNP-UHFFFAOYSA-N 0 0 388.227 5.763 40 0 GKABRN Cc1cccc(-c2ccc3c(c2)C2(CN3C(=O)CC(F)(F)F)CCOCC2)c1 ZINC000585105897 570319747 /nfs/dbraw/zinc/31/97/47/570319747.db2.gz WYPRTCFBZXCTJG-UHFFFAOYSA-N 0 0 389.417 5.009 40 0 GKABRN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000022520546 570319842 /nfs/dbraw/zinc/31/98/42/570319842.db2.gz SVICGARBDYBELI-UHFFFAOYSA-N 0 0 393.386 5.299 40 0 GKABRN Cc1cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)ccc1Br ZINC000022524400 570320096 /nfs/dbraw/zinc/32/00/96/570320096.db2.gz VYZJEZDZVHQYDI-LJQANCHMSA-N 0 0 390.321 5.040 40 0 GKABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1Cl ZINC000022524468 570320099 /nfs/dbraw/zinc/32/00/99/570320099.db2.gz NJFYBONICDJPSQ-LLVKDONJSA-N 0 0 398.311 5.289 40 0 GKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000022523312 570320114 /nfs/dbraw/zinc/32/01/14/570320114.db2.gz MXBAKRWXMRGAJN-IBGZPJMESA-N 0 0 375.468 5.810 40 0 GKABRN CC(=O)N[C@]1(C)C[C@H](c2ccc(Cl)cc2F)O[C@H](c2ccc(F)cc2)C1 ZINC000585262236 570320215 /nfs/dbraw/zinc/32/02/15/570320215.db2.gz PCKKHURMKAYWRW-ZCNNSNEGSA-N 0 0 379.834 5.106 40 0 GKABRN Cc1ccccc1[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000022524652 570320243 /nfs/dbraw/zinc/32/02/43/570320243.db2.gz ZALCYMVIDMLVFJ-XMMPIXPASA-N 0 0 387.504 5.216 40 0 GKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000022528956 570320476 /nfs/dbraw/zinc/32/04/76/570320476.db2.gz USECYPQXMWNATQ-SFHVURJKSA-N 0 0 391.536 6.367 40 0 GKABRN CCOC(=O)c1cc(-c2csc(C)n2)ccc1OCc1ccc(Cl)cc1 ZINC000085397569 570320654 /nfs/dbraw/zinc/32/06/54/570320654.db2.gz UZZMCFAUATVRNQ-UHFFFAOYSA-N 0 0 387.888 5.528 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)cc1OCC ZINC000022534138 570321204 /nfs/dbraw/zinc/32/12/04/570321204.db2.gz DMZDDJUUVMJJQL-RXVVDRJESA-N 0 0 399.531 5.136 40 0 GKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 ZINC000217905496 570322371 /nfs/dbraw/zinc/32/23/71/570322371.db2.gz NOJIFRFJKORGHN-ACCUITESSA-N 0 0 396.273 5.876 40 0 GKABRN Fc1ccc(COc2cccc(C(=S)NCc3ccc(Cl)cc3)c2)cc1 ZINC000408572700 570325194 /nfs/dbraw/zinc/32/51/94/570325194.db2.gz HSBNRLLTGVLPJF-UHFFFAOYSA-N 0 0 385.891 5.523 40 0 GKABRN Cc1ccccc1CNC(=S)c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000408572724 570325310 /nfs/dbraw/zinc/32/53/10/570325310.db2.gz HWZYUUNCNKQPIP-UHFFFAOYSA-N 0 0 399.918 5.832 40 0 GKABRN Cc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)cc1 ZINC000408572389 570325326 /nfs/dbraw/zinc/32/53/26/570325326.db2.gz GQWZAZBDFCWVEQ-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN COc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408572453 570325374 /nfs/dbraw/zinc/32/53/74/570325374.db2.gz HCNKYYORBOXKMV-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000218102981 570325414 /nfs/dbraw/zinc/32/54/14/570325414.db2.gz MTXYSGAXEASQCC-PTGBLXJZSA-N 0 0 393.442 5.690 40 0 GKABRN S=C(NCCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 ZINC000408573294 570325629 /nfs/dbraw/zinc/32/56/29/570325629.db2.gz JQWOZOWYAXGGAR-UHFFFAOYSA-N 0 0 381.928 5.427 40 0 GKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2)cc1 ZINC000408575217 570326582 /nfs/dbraw/zinc/32/65/82/570326582.db2.gz HJDYPKOERLJPHV-UHFFFAOYSA-N 0 0 391.536 6.327 40 0 GKABRN O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1ccco1)c1ccccc1 ZINC000408573921 570326931 /nfs/dbraw/zinc/32/69/31/570326931.db2.gz FLMRVWXZDHVNRI-RELWKKBWSA-N 0 0 381.431 6.251 40 0 GKABRN CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2)cc1 ZINC000408574633 570328574 /nfs/dbraw/zinc/32/85/74/570328574.db2.gz JLGAUXBTNVBNPD-UHFFFAOYSA-N 0 0 391.920 5.169 40 0 GKABRN COc1cc(C(=S)N2CCCC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408576581 570329911 /nfs/dbraw/zinc/32/99/11/570329911.db2.gz PXTKNRHPRKFFSL-UHFFFAOYSA-N 0 0 396.339 5.352 40 0 GKABRN Cc1ccc2nsnc2c1NC(=O)COc1ccc(C2CCCCC2)cc1 ZINC000408576949 570330224 /nfs/dbraw/zinc/33/02/24/570330224.db2.gz ZBTWRHNNLYWOGP-UHFFFAOYSA-N 0 0 381.501 5.065 40 0 GKABRN COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1 ZINC000408577242 570330265 /nfs/dbraw/zinc/33/02/65/570330265.db2.gz SBHZDDDOSOQBRE-UHFFFAOYSA-N 0 0 389.948 5.335 40 0 GKABRN CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000408577299 570330276 /nfs/dbraw/zinc/33/02/76/570330276.db2.gz XZPRALGMUYXIRM-IZZDOVSWSA-N 0 0 381.825 6.308 40 0 GKABRN COc1cc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(OC)cc1Cl ZINC000408577172 570330280 /nfs/dbraw/zinc/33/02/80/570330280.db2.gz WZSGELQLKNRWIC-LFIBNONCSA-N 0 0 383.831 5.130 40 0 GKABRN S=C(NCc1ccco1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408577570 570330289 /nfs/dbraw/zinc/33/02/89/570330289.db2.gz TVTFSEDZNCKPKB-UHFFFAOYSA-N 0 0 392.307 5.631 40 0 GKABRN Cc1cc(Br)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 ZINC000408576969 570330295 /nfs/dbraw/zinc/33/02/95/570330295.db2.gz ZELIZWHIODTUJK-FMIVXFBMSA-N 0 0 382.257 5.669 40 0 GKABRN S=C(NC[C@@H]1CCCO1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408576051 570331940 /nfs/dbraw/zinc/33/19/40/570331940.db2.gz PKTOGLOPPADLQR-INIZCTEOSA-N 0 0 396.339 5.017 40 0 GKABRN COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1ccc(F)cc1 ZINC000408576131 570332069 /nfs/dbraw/zinc/33/20/69/570332069.db2.gz PUDMJKNYOCRNGM-UHFFFAOYSA-N 0 0 395.499 5.187 40 0 GKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccccc1Cl ZINC000408575972 570332083 /nfs/dbraw/zinc/33/20/83/570332083.db2.gz PBIBEKOBZHCJON-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000408576329 570332154 /nfs/dbraw/zinc/33/21/54/570332154.db2.gz SIVAMHIXTOQXEJ-SFHVURJKSA-N 0 0 396.556 5.131 40 0 GKABRN C[C@H](CCc1ccccc1)NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408575818 570332213 /nfs/dbraw/zinc/33/22/13/570332213.db2.gz NRXDKEZNZJWCGP-BAYXNVEISA-N 0 0 389.926 6.018 40 0 GKABRN Cc1ccc(C)c([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)c1 ZINC000113932938 570334887 /nfs/dbraw/zinc/33/48/87/570334887.db2.gz GQEAUSACFMNFGR-CQSZACIVSA-N 0 0 382.356 5.721 40 0 GKABRN O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000218497281 570335639 /nfs/dbraw/zinc/33/56/39/570335639.db2.gz LLEULWANPLSCDF-UHFFFAOYSA-N 0 0 391.426 6.069 40 0 GKABRN COc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000408572367 570336198 /nfs/dbraw/zinc/33/61/98/570336198.db2.gz GMCQZVYBNYZFCM-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1F ZINC000408572288 570336339 /nfs/dbraw/zinc/33/63/39/570336339.db2.gz IHDHSDCZVZCMAM-DHZHZOJOSA-N 0 0 386.220 5.500 40 0 GKABRN COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccccc1Cl ZINC000408573711 570341102 /nfs/dbraw/zinc/34/11/02/570341102.db2.gz KBIYLKUCCKOFTF-UHFFFAOYSA-N 0 0 389.948 5.335 40 0 GKABRN Cc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000408576590 570342589 /nfs/dbraw/zinc/34/25/89/570342589.db2.gz PYHBYNFNUQMQGP-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN CC(C)(C)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1 ZINC000218880850 570342701 /nfs/dbraw/zinc/34/27/01/570342701.db2.gz LZSPASBUNIJUAD-UHFFFAOYSA-N 0 0 394.353 5.132 40 0 GKABRN O=C(COc1cccc2ccccc21)Nc1ccc(CSc2ccccc2)cc1 ZINC000218908985 570343382 /nfs/dbraw/zinc/34/33/82/570343382.db2.gz CZELQJSWZDLVSO-UHFFFAOYSA-N 0 0 399.515 6.150 40 0 GKABRN Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1)CC(C)(C)O2 ZINC000218933998 570343749 /nfs/dbraw/zinc/34/37/49/570343749.db2.gz COBFYNXLGCYSBV-HXUWFJFHSA-N 0 0 381.516 5.090 40 0 GKABRN Cc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)c(Cl)c(C)c1)CC(C)(C)O2 ZINC000218925570 570343788 /nfs/dbraw/zinc/34/37/88/570343788.db2.gz YHKDUHONEYGZOE-GOSISDBHSA-N 0 0 387.907 5.063 40 0 GKABRN Cc1ccc(C)c(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000218949425 570344176 /nfs/dbraw/zinc/34/41/76/570344176.db2.gz QSKRERSYFIHXAE-UHFFFAOYSA-N 0 0 389.539 5.789 40 0 GKABRN C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(C(C)(C)C)cc1 ZINC000218977582 570344880 /nfs/dbraw/zinc/34/48/80/570344880.db2.gz IONCQZRIOALSKU-IBGZPJMESA-N 0 0 387.523 6.054 40 0 GKABRN CCCOc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000218980862 570344927 /nfs/dbraw/zinc/34/49/27/570344927.db2.gz POQRMLWNEFFGSX-UHFFFAOYSA-N 0 0 398.355 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O=C(CC(c1ccccc1)c1ccccc1)NCCCc1ccc(Cl)cc1 ZINC000219126821 570347919 /nfs/dbraw/zinc/34/79/19/570347919.db2.gz BYDRVLXSVNVQLT-UHFFFAOYSA-N 0 0 377.915 5.611 40 0 GKABRN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408625535 570348337 /nfs/dbraw/zinc/34/83/37/570348337.db2.gz XGGAHAKRDSFYHU-UHFFFAOYSA-N 0 0 384.621 6.298 40 0 GKABRN O=C(NCCSCc1ccc(Cl)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000408625426 570348407 /nfs/dbraw/zinc/34/84/07/570348407.db2.gz UYYVWGMSGZFVFI-UHFFFAOYSA-N 0 0 395.911 5.903 40 0 GKABRN CC1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408628989 570348625 /nfs/dbraw/zinc/34/86/25/570348625.db2.gz HARVOGZXCIJJJC-UHFFFAOYSA-N 0 0 377.315 5.411 40 0 GKABRN Cc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 ZINC000408627687 570348655 /nfs/dbraw/zinc/34/86/55/570348655.db2.gz NAQSSBTUVNWFMN-UHFFFAOYSA-N 0 0 397.261 6.362 40 0 GKABRN CCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000408628997 570348669 /nfs/dbraw/zinc/34/86/69/570348669.db2.gz 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COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000408619953 570351480 /nfs/dbraw/zinc/35/14/80/570351480.db2.gz DVGZGONFLXWGJK-UHFFFAOYSA-N 0 0 381.284 5.481 40 0 GKABRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1OC ZINC000408621919 570351570 /nfs/dbraw/zinc/35/15/70/570351570.db2.gz MILOAELGLGFTDH-UHFFFAOYSA-N 0 0 398.503 5.111 40 0 GKABRN CCCCc1ccc(NC(=O)c2cc(Br)cc(C)c2OC)cc1 ZINC000408621307 570351587 /nfs/dbraw/zinc/35/15/87/570351587.db2.gz LMXPHJPCYHCBJD-UHFFFAOYSA-N 0 0 376.294 5.361 40 0 GKABRN CCN(CC)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000408619928 570351652 /nfs/dbraw/zinc/35/16/52/570351652.db2.gz DJPOWQMOSGHTRQ-UHFFFAOYSA-N 0 0 380.532 5.598 40 0 GKABRN Cc1cc(NC(=O)c2cc3c(ccc4ccccc34)o2)ccc1Br ZINC000408621846 570351682 /nfs/dbraw/zinc/35/16/82/570351682.db2.gz PJKMSOIFCBHOKF-UHFFFAOYSA-N 0 0 380.241 5.909 40 0 GKABRN CCc1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000408621259 570351695 /nfs/dbraw/zinc/35/16/95/570351695.db2.gz LBVKPWUQPBWFED-UHFFFAOYSA-N 0 0 386.706 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O=[S@]1c2ccccc2N[C@@H](c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000005593643 570448344 /nfs/dbraw/zinc/44/83/44/570448344.db2.gz SHTAJSUELYBWCA-RGODFAACSA-N 0 0 383.516 6.246 40 0 GKABRN Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccccc1C(C)C ZINC000223192106 570448924 /nfs/dbraw/zinc/44/89/24/570448924.db2.gz FJYMAZGXMYFZQN-JCMHNJIXSA-N 0 0 388.467 5.121 40 0 GKABRN C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCC2 ZINC000223193363 570449087 /nfs/dbraw/zinc/44/90/87/570449087.db2.gz WPOWWZPHHYHCPI-SFHVURJKSA-N 0 0 387.548 5.959 40 0 GKABRN O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Br)c(Cl)c1 ZINC000223199370 570449345 /nfs/dbraw/zinc/44/93/45/570449345.db2.gz CGGYWIQWLOHRBH-UHFFFAOYSA-N 0 0 377.040 5.076 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)C2(c3ccccc3)CCCC2)c2ccccc2O1 ZINC000223197023 570449573 /nfs/dbraw/zinc/44/95/73/570449573.db2.gz HAXJKNCOEHYZLZ-OAQYLSRUSA-N 0 0 377.528 5.697 40 0 GKABRN Cc1ccc2c(c1)C(c1ccccc1)=NCCC(=O)N2Cc1ccc(Cl)cc1 ZINC000028048356 570450589 /nfs/dbraw/zinc/45/05/89/570450589.db2.gz PGYQEERHENCXQZ-UHFFFAOYSA-N 0 0 388.898 5.423 40 0 GKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005715749 570452621 /nfs/dbraw/zinc/45/26/21/570452621.db2.gz OCRQTYXHLVPEOL-GCHPYGTFSA-N 0 0 386.620 7.138 40 0 GKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005715707 570452639 /nfs/dbraw/zinc/45/26/39/570452639.db2.gz OCRQTYXHLVPEOL-LRDUIPOJSA-N 0 0 386.620 7.138 40 0 GKABRN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C)cc3s2)cc1 ZINC000005729477 570453571 /nfs/dbraw/zinc/45/35/71/570453571.db2.gz OVMUGHNJHKOFHQ-UHFFFAOYSA-N 0 0 394.521 5.381 40 0 GKABRN Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2c(C)c1 ZINC000005724792 570453746 /nfs/dbraw/zinc/45/37/46/570453746.db2.gz XAXILHCFGUMFJC-UHFFFAOYSA-N 0 0 382.872 6.079 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(Br)cc2)cc1C(C)C ZINC000223263894 570454308 /nfs/dbraw/zinc/45/43/08/570454308.db2.gz FBASZHWFUQTVAA-AWEZNQCLSA-N 0 0 390.321 5.381 40 0 GKABRN COc1ccc(/C=C/C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1OC ZINC000223265259 570454329 /nfs/dbraw/zinc/45/43/29/570454329.db2.gz NBGLYKWXPVYIEF-KAMXEHQASA-N 0 0 397.515 5.035 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)cc1C(C)C ZINC000223263163 570454332 /nfs/dbraw/zinc/45/43/32/570454332.db2.gz NQDSRDCUTKIZGC-CYBMUJFWSA-N 0 0 380.315 5.925 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C(C)C ZINC000223269070 570454634 /nfs/dbraw/zinc/45/46/34/570454634.db2.gz ZMQMYHPKLYCGDX-ZWKOTPCHSA-N 0 0 385.573 5.626 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(C)cc2)cc1C(C)C ZINC000223267958 570454682 /nfs/dbraw/zinc/45/46/82/570454682.db2.gz UVYIXDMYLRDWAZ-GOSISDBHSA-N 0 0 385.573 5.546 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)C ZINC000223272448 570455225 /nfs/dbraw/zinc/45/52/25/570455225.db2.gz OAHVSXWOSLNCLK-LJQANCHMSA-N 0 0 387.523 6.285 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CCSc2ccc(C)cc2)cc1C(C)C ZINC000223272094 570455227 /nfs/dbraw/zinc/45/52/27/570455227.db2.gz VWIWPAWULLABKB-SFHVURJKSA-N 0 0 385.573 5.795 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 ZINC000223275944 570455228 /nfs/dbraw/zinc/45/52/28/570455228.db2.gz JTFCPLZEOOXFTA-VQTJNVASSA-N 0 0 381.560 5.758 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1C(C)C ZINC000223271885 570455250 /nfs/dbraw/zinc/45/52/50/570455250.db2.gz SEZGGXZCXWZXRC-MSOLQXFVSA-N 0 0 385.573 5.793 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1C(C)C ZINC000223271948 570455299 /nfs/dbraw/zinc/45/52/99/570455299.db2.gz SEZGGXZCXWZXRC-ROUUACIJSA-N 0 0 385.573 5.793 40 0 GKABRN O=C(Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl)c1ccco1 ZINC000005771737 570456417 /nfs/dbraw/zinc/45/64/17/570456417.db2.gz JPJXJVALNXKUHV-UHFFFAOYSA-N 0 0 375.211 5.091 40 0 GKABRN Cc1c2ccccc2oc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000005792718 570456944 /nfs/dbraw/zinc/45/69/44/570456944.db2.gz WBEZTNPPFDZFQT-UHFFFAOYSA-N 0 0 386.382 5.941 40 0 GKABRN CCc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 ZINC000223303829 570457124 /nfs/dbraw/zinc/45/71/24/570457124.db2.gz LUVLSONWBBGXPA-SFHVURJKSA-N 0 0 375.537 6.032 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c2ccccc2O1 ZINC000223305009 570457209 /nfs/dbraw/zinc/45/72/09/570457209.db2.gz ICJBQTDLKWYNCC-FPOVZHCZSA-N 0 0 395.543 5.578 40 0 GKABRN COc1cccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3s2)c1 ZINC000005808829 570457463 /nfs/dbraw/zinc/45/74/63/570457463.db2.gz AYOYUADNMXFJPE-HKWRFOASSA-N 0 0 386.476 5.233 40 0 GKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cc1C(C)C ZINC000223306294 570457733 /nfs/dbraw/zinc/45/77/33/570457733.db2.gz MSBMQNCTRFJNRN-KRWDZBQOSA-N 0 0 397.540 5.320 40 0 GKABRN C/C(=C\CCC1=CC(=O)OC1O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C ZINC000005811273 570457909 /nfs/dbraw/zinc/45/79/09/570457909.db2.gz JPWPYTMXSXYUPG-LYDKGRCYSA-N 0 0 386.576 6.548 40 0 biogenic,in-vivo GKABRN Clc1cc(Br)cc2[nH]c(-c3ccc(Br)cc3)nc21 ZINC000226343046 570459790 /nfs/dbraw/zinc/45/97/90/570459790.db2.gz KCIYOVFQXJDIEO-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccccc2Cl)cc1C(C)C ZINC000223327961 570458538 /nfs/dbraw/zinc/45/85/38/570458538.db2.gz WEAQVIZLYKYURQ-HNNXBMFYSA-N 0 0 375.896 5.037 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2Cl)cc1C(C)C ZINC000223327908 570458639 /nfs/dbraw/zinc/45/86/39/570458639.db2.gz WEAQVIZLYKYURQ-OAHLLOKOSA-N 0 0 375.896 5.037 40 0 GKABRN CCOc1cc2c(cc1[C@@H](C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCO2 ZINC000005841397 570458753 /nfs/dbraw/zinc/45/87/53/570458753.db2.gz WLMRDSSMBCHGPN-HNNXBMFYSA-N 0 0 398.543 6.266 40 0 GKABRN CC(C)c1ccc2oc(-c3cccc(-c4nc5cc(C(C)C)ccc5o4)c3)nc2c1 ZINC000226237307 570458885 /nfs/dbraw/zinc/45/88/85/570458885.db2.gz DPIKREVTWQRVSC-UHFFFAOYSA-N 0 0 396.490 7.550 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2)cc1C(C)C ZINC000223329778 570458961 /nfs/dbraw/zinc/45/89/61/570458961.db2.gz PEMRDKSLJWESAD-SFHVURJKSA-N 0 0 383.532 5.507 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cc1C(C)C ZINC000223332238 570458986 /nfs/dbraw/zinc/45/89/86/570458986.db2.gz YJAORXLXIWORMR-CVEARBPZSA-N 0 0 389.923 5.425 40 0 GKABRN Cc1cccc2sc(-c3cc(I)ccc3Cl)nc21 ZINC000045946786 570459162 /nfs/dbraw/zinc/45/91/62/570459162.db2.gz NIUBCQNOMFUMBF-UHFFFAOYSA-N 0 0 385.657 5.530 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)c(C)c2)cc1C(C)C ZINC000223329235 570459146 /nfs/dbraw/zinc/45/91/46/570459146.db2.gz BPPGEOAJFHGQLB-INIZCTEOSA-N 0 0 389.923 5.345 40 0 GKABRN CCOc1cc(CO)cc(Br)c1OCc1cccc2ccccc21 ZINC000226324873 570459341 /nfs/dbraw/zinc/45/93/41/570459341.db2.gz KZZGIGRNMROGKY-UHFFFAOYSA-N 0 0 387.273 5.072 40 0 GKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCOc1cccc2ccccc21 ZINC000005876473 570459810 /nfs/dbraw/zinc/45/98/10/570459810.db2.gz OYXIMTWFJDJYGR-PKNBQFBNSA-N 0 0 386.278 5.355 40 0 GKABRN Clc1cc2[nH]c(C(c3ccccc3)c3ccccc3)nc2c(Br)c1 ZINC000226342823 570459970 /nfs/dbraw/zinc/45/99/70/570459970.db2.gz KCZFLXRZTNMFCU-UHFFFAOYSA-N 0 0 397.703 6.159 40 0 GKABRN CC[C@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343468 570460332 /nfs/dbraw/zinc/46/03/32/570460332.db2.gz IPZNVTKHIYVXQP-NQIIRXRSSA-N 0 0 383.532 5.470 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c(C)c1 ZINC000223346810 570460421 /nfs/dbraw/zinc/46/04/21/570460421.db2.gz MJYWOBFIVMBBMF-QGZVFWFLSA-N 0 0 383.488 5.010 40 0 GKABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343412 570460439 /nfs/dbraw/zinc/46/04/39/570460439.db2.gz IPZNVTKHIYVXQP-WIYYLYMNSA-N 0 0 383.532 5.470 40 0 GKABRN CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343287 570460448 /nfs/dbraw/zinc/46/04/48/570460448.db2.gz IPZNVTKHIYVXQP-GHTZIAJQSA-N 0 0 383.532 5.470 40 0 GKABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343614 570460479 /nfs/dbraw/zinc/46/04/79/570460479.db2.gz XHTSDSKLDMSJAE-AVRDEDQJSA-N 0 0 383.532 5.470 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345846 570460482 /nfs/dbraw/zinc/46/04/82/570460482.db2.gz UXBGTVXBMHJJCX-SIKLNZKXSA-N 0 0 397.559 5.779 40 0 GKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344695 570460488 /nfs/dbraw/zinc/46/04/88/570460488.db2.gz JOVNFEFWJPTVFW-AUSIDOKSSA-N 0 0 397.559 5.779 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345953 570460489 /nfs/dbraw/zinc/46/04/89/570460489.db2.gz UXBGTVXBMHJJCX-DENIHFKCSA-N 0 0 397.559 5.779 40 0 GKABRN CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223351879 570460871 /nfs/dbraw/zinc/46/08/71/570460871.db2.gz DIRUANHWJAYBNC-FXAWDEMLSA-N 0 0 399.531 5.170 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352355 570460887 /nfs/dbraw/zinc/46/08/87/570460887.db2.gz HVSMRIAAVZLKKY-PGRDOPGGSA-N 0 0 383.532 5.470 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1C(C)C ZINC000223351699 570460924 /nfs/dbraw/zinc/46/09/24/570460924.db2.gz DYYNEMLWUFSZMT-RBUKOAKNSA-N 0 0 383.532 5.389 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1C(C)C ZINC000223351510 570460938 /nfs/dbraw/zinc/46/09/38/570460938.db2.gz UQASXTLDYQFEFZ-MOPGFXCFSA-N 0 0 383.532 5.389 40 0 GKABRN O=C(Nc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000005900926 570460980 /nfs/dbraw/zinc/46/09/80/570460980.db2.gz HVTKHYJUAUHJGQ-UHFFFAOYSA-N 0 0 385.250 5.868 40 0 GKABRN O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000005900481 570461026 /nfs/dbraw/zinc/46/10/26/570461026.db2.gz YBNMYIXBEXNKKC-UHFFFAOYSA-N 0 0 386.373 5.928 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352466 570461313 /nfs/dbraw/zinc/46/13/13/570461313.db2.gz HVSMRIAAVZLKKY-XMSQKQJNSA-N 0 0 383.532 5.470 40 0 GKABRN Clc1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005940244 570462153 /nfs/dbraw/zinc/46/21/53/570462153.db2.gz XTCGJTFARXPSKA-YMHSLHOESA-N 0 0 392.930 6.001 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2cccc(Cl)c2)cc1C(C)C ZINC000223370402 570462236 /nfs/dbraw/zinc/46/22/36/570462236.db2.gz MXNNLQSTWBVEQY-OAHLLOKOSA-N 0 0 375.896 5.037 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C(C)C ZINC000223371522 570462243 /nfs/dbraw/zinc/46/22/43/570462243.db2.gz WTJRYHJKEIWYFC-SFHVURJKSA-N 0 0 391.511 5.536 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372691 570462605 /nfs/dbraw/zinc/46/26/05/570462605.db2.gz KTNBDFXMOYLBKD-DENIHFKCSA-N 0 0 397.559 5.779 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)ccc2C(C)C)cc1C(C)C ZINC000223375982 570462650 /nfs/dbraw/zinc/46/26/50/570462650.db2.gz XWIIOIVYSKULQM-IBGZPJMESA-N 0 0 397.559 5.815 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 ZINC000005953590 570462973 /nfs/dbraw/zinc/46/29/73/570462973.db2.gz KQDXLKTWMCPECH-UHFFFAOYSA-N 0 0 386.451 5.763 40 0 GKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223379857 570463105 /nfs/dbraw/zinc/46/31/05/570463105.db2.gz WZSINWBEIKLMRA-CVDCTZTESA-N 0 0 397.559 5.798 40 0 GKABRN CCOc1ccc(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Cl ZINC000223378536 570463175 /nfs/dbraw/zinc/46/31/75/570463175.db2.gz XCLREIYXCUSTJZ-OAHLLOKOSA-N 0 0 389.923 5.670 40 0 GKABRN COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)ccc2c1 ZINC000223383746 570463235 /nfs/dbraw/zinc/46/32/35/570463235.db2.gz QNGYJMLDZMXXJH-INIZCTEOSA-N 0 0 397.540 5.185 40 0 GKABRN O=C(NCCc1ccc(Cl)cc1)c1ccc(CSc2ccccc2)cc1 ZINC000223392461 570463695 /nfs/dbraw/zinc/46/36/95/570463695.db2.gz OOSPEPBAYXZABI-UHFFFAOYSA-N 0 0 381.928 5.605 40 0 GKABRN Cc1cc(C)cc(CSCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1 ZINC000223401779 570464078 /nfs/dbraw/zinc/46/40/78/570464078.db2.gz UXMHXFWTAKSCAS-UHFFFAOYSA-N 0 0 376.525 5.161 40 0 GKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000006023168 570464567 /nfs/dbraw/zinc/46/45/67/570464567.db2.gz DHZIWPKXGMKJNC-JRMMOMDRSA-N 0 0 386.664 7.677 40 0 GKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000006052966 570464830 /nfs/dbraw/zinc/46/48/30/570464830.db2.gz JXSMQTDWIPUSIN-LBPRGKRZSA-N 0 0 393.792 5.918 40 0 GKABRN O=C(NCCOc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223422471 570465166 /nfs/dbraw/zinc/46/51/66/570465166.db2.gz UKMZLXROPAVOCQ-HEHNFIMWSA-N 0 0 377.871 5.076 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223422230 570465261 /nfs/dbraw/zinc/46/52/61/570465261.db2.gz LVITUVXGTGATTI-DNVCBOLYSA-N 0 0 387.907 5.306 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c2ccccc2O1 ZINC000223422394 570465304 /nfs/dbraw/zinc/46/53/04/570465304.db2.gz LVITUVXGTGATTI-KXBFYZLASA-N 0 0 387.907 5.306 40 0 GKABRN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1cccc(Cl)c1Cl ZINC000006088012 570465842 /nfs/dbraw/zinc/46/58/42/570465842.db2.gz PQXRRYINSUZZQC-UHFFFAOYSA-N 0 0 386.691 5.254 40 0 GKABRN Cc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C ZINC000223437594 570466159 /nfs/dbraw/zinc/46/61/59/570466159.db2.gz CTFIHTZHDSAWJW-FQEVSTJZSA-N 0 0 389.564 6.395 40 0 GKABRN Cc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C ZINC000223437543 570466271 /nfs/dbraw/zinc/46/62/71/570466271.db2.gz CTFIHTZHDSAWJW-HXUWFJFHSA-N 0 0 389.564 6.395 40 0 GKABRN CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000006124132 570466763 /nfs/dbraw/zinc/46/67/63/570466763.db2.gz FTTKQZIZBOPQBY-UHFFFAOYSA-N 0 0 382.463 5.725 40 0 GKABRN COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)cc1Cl ZINC000008161617 570466814 /nfs/dbraw/zinc/46/68/14/570466814.db2.gz SBNNXRWZSIWWEX-UHFFFAOYSA-N 0 0 392.238 5.426 40 0 GKABRN CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000223456770 570467029 /nfs/dbraw/zinc/46/70/29/570467029.db2.gz OBANVLSDPDVOCZ-CQSZACIVSA-N 0 0 392.362 5.122 40 0 GKABRN CCOC(=O)/C=C/c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000057327501 570467581 /nfs/dbraw/zinc/46/75/81/570467581.db2.gz LBKWNHHGZFFWAC-VMPITWQZSA-N 0 0 389.167 5.304 40 0 GKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223492146 570468566 /nfs/dbraw/zinc/46/85/66/570468566.db2.gz FZZNHKDLSMDUSV-CVDCTZTESA-N 0 0 381.560 5.944 40 0 GKABRN C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000008218576 570468843 /nfs/dbraw/zinc/46/88/43/570468843.db2.gz DAMYKCRBHMTWHN-HNNXBMFYSA-N 0 0 379.978 5.011 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223538423 570470030 /nfs/dbraw/zinc/47/00/30/570470030.db2.gz JBQORNHIGKWLJZ-SFHVURJKSA-N 0 0 391.511 5.100 40 0 GKABRN O=C(NCCOc1cccc2ccccc21)c1cc2c(ccc3ccccc23)o1 ZINC000223532085 570470075 /nfs/dbraw/zinc/47/00/75/570470075.db2.gz PGZQFTIGFXNLKI-UHFFFAOYSA-N 0 0 381.431 5.548 40 0 GKABRN Cc1cc(-c2csc(NC(=O)c3cc(-c4ccc(F)cc4)no3)n2)c(C)s1 ZINC000035322654 570470773 /nfs/dbraw/zinc/47/07/73/570470773.db2.gz BFJBUVSDSXFWKB-UHFFFAOYSA-N 0 0 399.472 5.535 40 0 GKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000223564644 570471568 /nfs/dbraw/zinc/47/15/68/570471568.db2.gz SASXMBOXEYMKAA-VWLOTQADSA-N 0 0 399.534 5.629 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCOc2cccc3ccccc32)c1 ZINC000223572623 570471996 /nfs/dbraw/zinc/47/19/96/570471996.db2.gz DTRUOIIYGDEFTC-IBGZPJMESA-N 0 0 391.511 5.234 40 0 GKABRN COc1cc(C)c(C(=O)NCCOc2cccc3ccccc32)cc1C(C)C ZINC000223579345 570472383 /nfs/dbraw/zinc/47/23/83/570472383.db2.gz POPSUVJARICTQN-UHFFFAOYSA-N 0 0 377.484 5.089 40 0 GKABRN COc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000006237043 570473017 /nfs/dbraw/zinc/47/30/17/570473017.db2.gz ULITWKBREVNYPN-UHFFFAOYSA-N 0 0 389.539 5.734 40 0 GKABRN Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(C)c1 ZINC000223587540 570473080 /nfs/dbraw/zinc/47/30/80/570473080.db2.gz WENLGBKLJNRDLS-UHFFFAOYSA-N 0 0 381.928 6.501 40 0 GKABRN CC[C@H](NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000223587841 570473365 /nfs/dbraw/zinc/47/33/65/570473365.db2.gz NFZNELIBAKFNNY-KDOFPFPSSA-N 0 0 377.937 5.405 40 0 GKABRN CCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 ZINC000006240609 570473494 /nfs/dbraw/zinc/47/34/94/570473494.db2.gz JOGKJVUISAVDQD-CQSZACIVSA-N 0 0 395.528 5.621 40 0 GKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@]1(c2ccccc2)CC1(Cl)Cl ZINC000006242275 570473495 /nfs/dbraw/zinc/47/34/95/570473495.db2.gz LJHIWVKPPSLTFG-OAHLLOKOSA-N 0 0 375.082 5.448 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000006243860 570473932 /nfs/dbraw/zinc/47/39/32/570473932.db2.gz CQYDIZWAXVNKAB-UHFFFAOYSA-N 0 0 382.385 6.086 40 0 GKABRN O=C(NCCOc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1 ZINC000223615370 570474561 /nfs/dbraw/zinc/47/45/61/570474561.db2.gz RLZRWNOYXPQUBL-UHFFFAOYSA-N 0 0 397.474 5.228 40 0 GKABRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 ZINC000006264763 570474915 /nfs/dbraw/zinc/47/49/15/570474915.db2.gz JCODTRAXGUGYDS-UHFFFAOYSA-N 0 0 398.510 5.632 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc2ccccc2c1 ZINC000223623079 570475065 /nfs/dbraw/zinc/47/50/65/570475065.db2.gz HCPHDBYTUXNVFZ-VWLOTQADSA-N 0 0 399.490 5.346 40 0 GKABRN Cc1ccc(CSCC(=O)Nc2ccc(SCc3ccccc3)cc2)cc1 ZINC000006300169 570476241 /nfs/dbraw/zinc/47/62/41/570476241.db2.gz RCJNKUUKQBEJHG-UHFFFAOYSA-N 0 0 393.577 6.159 40 0 GKABRN CCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C)c(Cl)c2)OC1=O ZINC000006308572 570476497 /nfs/dbraw/zinc/47/64/97/570476497.db2.gz XMSDYFUTNZRKKI-HKWRFOASSA-N 0 0 397.902 5.952 40 0 GKABRN CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000006315317 570476804 /nfs/dbraw/zinc/47/68/04/570476804.db2.gz LYPDNBNMHKAISU-UHFFFAOYSA-N 0 0 388.714 5.027 40 0 GKABRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000006348796 570477722 /nfs/dbraw/zinc/47/77/22/570477722.db2.gz MPVMHTVKJOTUKF-UHFFFAOYSA-N 0 0 393.314 5.491 40 0 GKABRN CC(C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000006358510 570477866 /nfs/dbraw/zinc/47/78/66/570477866.db2.gz TUASSGRJMHCIGJ-UHFFFAOYSA-N 0 0 388.492 6.003 40 0 GKABRN CC(C)(C)c1ccccc1OCCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000223668746 570477970 /nfs/dbraw/zinc/47/79/70/570477970.db2.gz XUJGHZTZLYMUOP-DYTRJAOYSA-N 0 0 389.495 5.313 40 0 GKABRN COc1ccc(/C=C/c2nc3ccccc3n2CCCOc2ccccc2)cc1 ZINC000006368558 570478277 /nfs/dbraw/zinc/47/82/77/570478277.db2.gz RQKBEJKOSPDGEB-SAPNQHFASA-N 0 0 384.479 5.684 40 0 GKABRN COc1cc(OC)c(NC(=S)Nc2ccccc2C(F)(F)F)cc1Cl ZINC000006403414 570479030 /nfs/dbraw/zinc/47/90/30/570479030.db2.gz AAFVMQNAJUZEGH-UHFFFAOYSA-N 0 0 390.814 5.185 40 0 GKABRN CC(C)(C)c1ccc(CCC(=O)NCCOc2ccccc2C(C)(C)C)cc1 ZINC000223694464 570479236 /nfs/dbraw/zinc/47/92/36/570479236.db2.gz OUSYTJULOVPARB-UHFFFAOYSA-N 0 0 381.560 5.409 40 0 GKABRN Cc1cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(C)c1Cl ZINC000006477325 570481011 /nfs/dbraw/zinc/48/10/11/570481011.db2.gz RVGKRNSGQVJTHZ-UHFFFAOYSA-N 0 0 381.859 5.767 40 0 GKABRN COc1ccc(OC)c(S[C@@H](CC(=O)c2ccccc2)c2ccccc2)c1 ZINC000006484026 570481392 /nfs/dbraw/zinc/48/13/92/570481392.db2.gz KVYJJPYPYXJBQY-QFIPXVFZSA-N 0 0 378.493 5.810 40 0 GKABRN O=C(COc1ccccc1Cl)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000006495747 570481839 /nfs/dbraw/zinc/48/18/39/570481839.db2.gz UZWNLRWFQPDIOY-UHFFFAOYSA-N 0 0 387.675 5.274 40 0 GKABRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1 ZINC000000793648 570481879 /nfs/dbraw/zinc/48/18/79/570481879.db2.gz XCQRKKXDMOBRSP-UHFFFAOYSA-N 0 0 383.234 6.054 40 0 GKABRN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(Br)c(Cl)c1 ZINC000006495610 570481891 /nfs/dbraw/zinc/48/18/91/570481891.db2.gz FIIODQYSXUOLJH-UHFFFAOYSA-N 0 0 386.632 5.056 40 0 GKABRN Cc1cccc2c1N(C(=O)c1cnccn1)C(C)(C)c1ssc(=S)c1-2 ZINC000006504541 570481921 /nfs/dbraw/zinc/48/19/21/570481921.db2.gz FMQFSOMHARZGKP-UHFFFAOYSA-N 0 0 385.539 5.200 40 0 GKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(F)cc1 ZINC000006496537 570482026 /nfs/dbraw/zinc/48/20/26/570482026.db2.gz AFNUXEXQODDKGK-UHFFFAOYSA-N 0 0 382.394 6.039 40 0 GKABRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2ccccc2)cc1 ZINC000006496208 570482058 /nfs/dbraw/zinc/48/20/58/570482058.db2.gz SWROHGRVPOKHSU-UHFFFAOYSA-N 0 0 399.302 6.522 40 0 GKABRN S=C(Nc1ccccc1)P(C(=S)Nc1ccccc1)C1CCCCC1 ZINC000006514426 570482343 /nfs/dbraw/zinc/48/23/43/570482343.db2.gz GEYCMQANCGPEKW-UHFFFAOYSA-N 0 0 386.526 6.595 40 0 GKABRN CCc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 ZINC000223743615 570482645 /nfs/dbraw/zinc/48/26/45/570482645.db2.gz GLKGOLRHHJYEAI-QNGOZBTKSA-N 0 0 390.508 5.029 40 0 GKABRN Cc1ccc([C@@]2(c3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000006522760 570482814 /nfs/dbraw/zinc/48/28/14/570482814.db2.gz UKKMCMRRLJKGOX-MHZLTWQESA-N 0 0 375.471 5.947 40 0 GKABRN COc1cccc(NC(=O)c2c(C)c(C)sc2NC(=O)c2ccccc2C)c1 ZINC000000800770 570482795 /nfs/dbraw/zinc/48/27/95/570482795.db2.gz MDLYIZCBYRMOGC-UHFFFAOYSA-N 0 0 394.496 5.187 40 0 GKABRN CC(C)c1ccccc1OCCNC(=O)CSCc1c(F)cccc1Cl ZINC000223749128 570482985 /nfs/dbraw/zinc/48/29/85/570482985.db2.gz SFFKJKBHOXGISP-UHFFFAOYSA-N 0 0 395.927 5.031 40 0 GKABRN C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000223761553 570483566 /nfs/dbraw/zinc/48/35/66/570483566.db2.gz DIITVZYHRUZDBL-SFHVURJKSA-N 0 0 387.479 5.764 40 0 GKABRN Clc1cccc(Cl)c1[C@@H]1CSc2ccccc2N=C1c1ccccc1 ZINC000006574939 570483928 /nfs/dbraw/zinc/48/39/28/570483928.db2.gz WKIVNKVZPKISLV-HNNXBMFYSA-N 0 0 384.331 7.004 40 0 GKABRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1 ZINC000223784520 570484206 /nfs/dbraw/zinc/48/42/06/570484206.db2.gz JUTKYESBDAHKMD-OALUTQOASA-N 0 0 395.553 5.027 40 0 GKABRN O=C1Oc2ccccc2[C@H]2c3sc(=S)[nH]c3S[C@@H](c3ccccc3)[C@@H]12 ZINC000006598151 570484295 /nfs/dbraw/zinc/48/42/95/570484295.db2.gz AIIFVNODFJULBJ-ILXRZTDVSA-N 0 0 383.519 5.320 40 0 GKABRN CC(C)c1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000223782198 570484330 /nfs/dbraw/zinc/48/43/30/570484330.db2.gz OVVWHXNDMHIKQG-UHFFFAOYSA-N 0 0 389.495 5.198 40 0 GKABRN O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1 ZINC000006615873 570484936 /nfs/dbraw/zinc/48/49/36/570484936.db2.gz YEBMXYDEYDXRSI-UHFFFAOYSA-N 0 0 389.505 5.090 40 0 GKABRN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Cl)cc1Cl ZINC000006619487 570485346 /nfs/dbraw/zinc/48/53/46/570485346.db2.gz MOWXIBLHHFIRIR-UHFFFAOYSA-N 0 0 386.691 5.254 40 0 GKABRN O=C(Oc1ccc(Cl)c(OC(=O)c2ccccc2F)c1)c1ccccc1F ZINC000000825814 570485564 /nfs/dbraw/zinc/48/55/64/570485564.db2.gz RCWUGUUBKLRGKZ-UHFFFAOYSA-N 0 0 388.753 5.057 40 0 GKABRN COc1cc(C)c(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1C(C)C ZINC000223829747 570485796 /nfs/dbraw/zinc/48/57/96/570485796.db2.gz JTRRKSSAXCRUAX-HXUWFJFHSA-N 0 0 389.561 5.193 40 0 GKABRN CCc1ccc(CC)c(CNC(=O)CCCSc2ccc(Cl)cc2)c1 ZINC000223834164 570486239 /nfs/dbraw/zinc/48/62/39/570486239.db2.gz KVDNMPMWORRMKF-UHFFFAOYSA-N 0 0 375.965 5.654 40 0 GKABRN Cc1cc2nc(-c3cc(NC(=O)c4cccc(F)c4)ccc3Cl)oc2cc1C ZINC000000834939 570486622 /nfs/dbraw/zinc/48/66/22/570486622.db2.gz DJVFZRUCDRAWJE-UHFFFAOYSA-N 0 0 394.833 6.156 40 0 GKABRN CC(C)c1ccccc1OCCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000223835796 570486634 /nfs/dbraw/zinc/48/66/34/570486634.db2.gz CAROVKIMAUMVDJ-UHFFFAOYSA-N 0 0 380.315 5.245 40 0 GKABRN O=C(Nc1ccc2[nH]c(Cc3ccccc3)nc2c1)C12CC3CC(CC(C3)C1)C2 ZINC000006694675 570488125 /nfs/dbraw/zinc/48/81/25/570488125.db2.gz HBTQQQFPYRBGTE-UHFFFAOYSA-N 0 0 385.511 5.309 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223876785 570488258 /nfs/dbraw/zinc/48/82/58/570488258.db2.gz IMAZKAMNGJCKOE-NHCUHLMSSA-N 0 0 395.543 5.660 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223876891 570488385 /nfs/dbraw/zinc/48/83/85/570488385.db2.gz IMAZKAMNGJCKOE-LEWJYISDSA-N 0 0 395.543 5.660 40 0 GKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cccc(Cl)c1Cl ZINC000223907506 570489654 /nfs/dbraw/zinc/48/96/54/570489654.db2.gz CXXSWHMAFDWEGA-SFHVURJKSA-N 0 0 378.299 5.668 40 0 GKABRN Nc1ccc2nc(CCCCCCc3nc4ccc(N)cc4s3)sc2c1 ZINC000006756697 570492019 /nfs/dbraw/zinc/49/20/19/570492019.db2.gz GFPGSYIHTCEQOL-UHFFFAOYSA-N 0 0 382.558 5.416 40 0 GKABRN S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Cl)cc1Cl ZINC000223970431 570492200 /nfs/dbraw/zinc/49/22/00/570492200.db2.gz 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Cc1ccc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000008558202 570770110 /nfs/dbraw/zinc/77/01/10/570770110.db2.gz UYDMGRVBXOORJF-LJQANCHMSA-N 0 0 375.468 5.288 40 0 GKABRN COc1c(Cl)cc(C(=O)Nc2nc3cc(Cl)ccc3s2)cc1Cl ZINC000008560678 570771184 /nfs/dbraw/zinc/77/11/84/570771184.db2.gz YHBMWYIXCPCLDW-UHFFFAOYSA-N 0 0 387.675 5.517 40 0 GKABRN CC(=O)N1c2ccccc2[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C ZINC000008570009 570771258 /nfs/dbraw/zinc/77/12/58/570771258.db2.gz XWNQTWUJFUZJIW-HOYKHHGWSA-N 0 0 399.494 5.612 40 0 GKABRN CC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccccc2)c2ccccc2)C[C@H]1C ZINC000008570003 570771265 /nfs/dbraw/zinc/77/12/65/570771265.db2.gz RRXIKFFTRISLCB-CLOONOSVSA-N 0 0 398.506 5.149 40 0 GKABRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000008560805 570771325 /nfs/dbraw/zinc/77/13/25/570771325.db2.gz HMEYZDPQMUNBKV-UHFFFAOYSA-N 0 0 383.831 5.418 40 0 GKABRN CC(=O)N1c2ccccc2[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C ZINC000008570010 570771369 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570774722 /nfs/dbraw/zinc/77/47/22/570774722.db2.gz SSVVTAVVLFCALI-UHFFFAOYSA-N 0 0 397.927 5.441 40 0 GKABRN O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1CCc1ccccc1 ZINC000013688425 570774740 /nfs/dbraw/zinc/77/47/40/570774740.db2.gz LEDKLZDHCSZCMU-UHFFFAOYSA-N 0 0 391.514 5.991 40 0 GKABRN CC(C)Oc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000013687800 570774769 /nfs/dbraw/zinc/77/47/69/570774769.db2.gz UCQCMCCKMNGRKV-UHFFFAOYSA-N 0 0 395.886 5.959 40 0 GKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013689016 570775239 /nfs/dbraw/zinc/77/52/39/570775239.db2.gz HPBVVDFVOZJDQG-OAQYLSRUSA-N 0 0 395.502 5.836 40 0 GKABRN CCN(CC)C(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000065878996 570775681 /nfs/dbraw/zinc/77/56/81/570775681.db2.gz HMXNFIRNBBUPLF-UHFFFAOYSA-N 0 0 386.495 5.017 40 0 GKABRN Cc1cc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)ccc1Br ZINC000013708374 570777155 /nfs/dbraw/zinc/77/71/55/570777155.db2.gz FBDVZSCUMBVOCH-AWEZNQCLSA-N 0 0 384.273 5.317 40 0 GKABRN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000013708390 570777208 /nfs/dbraw/zinc/77/72/08/570777208.db2.gz HDHZAGVBWFDLLR-IBGZPJMESA-N 0 0 397.474 5.825 40 0 GKABRN C[C@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(Cl)c1 ZINC000013709022 570777293 /nfs/dbraw/zinc/77/72/93/570777293.db2.gz HCSLTVWHGHFLCE-INIZCTEOSA-N 0 0 399.943 5.310 40 0 GKABRN C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000013709789 570777556 /nfs/dbraw/zinc/77/75/56/570777556.db2.gz XBGKLLYABBXGON-MRXNPFEDSA-N 0 0 397.927 6.038 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccccc3Cl)ccc21 ZINC000013710056 570777647 /nfs/dbraw/zinc/77/76/47/570777647.db2.gz DBKLCHONIPGEDH-OAHLLOKOSA-N 0 0 392.886 5.874 40 0 GKABRN C[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000010111793 570782007 /nfs/dbraw/zinc/78/20/07/570782007.db2.gz XTIKWFZVAGZGPS-AWEZNQCLSA-N 0 0 393.955 5.887 40 0 GKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc2ccccc21 ZINC000010120075 570782718 /nfs/dbraw/zinc/78/27/18/570782718.db2.gz GLYXRXFRGBEIRF-UHFFFAOYSA-N 0 0 378.431 5.824 40 0 GKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Br)o1 ZINC000010120061 570782866 /nfs/dbraw/zinc/78/28/66/570782866.db2.gz ALDHWEQTYVRQQS-UHFFFAOYSA-N 0 0 397.228 5.026 40 0 GKABRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Cl)cc1Cl ZINC000010120007 570782871 /nfs/dbraw/zinc/78/28/71/570782871.db2.gz BYVPPWVIAOTJHZ-UHFFFAOYSA-N 0 0 397.261 5.978 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Cl ZINC000010119996 570782891 /nfs/dbraw/zinc/78/28/91/570782891.db2.gz NACMCTPHBGYPTN-UHFFFAOYSA-N 0 0 376.843 5.633 40 0 GKABRN CCCCCC(=O)Nc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000010120206 570783134 /nfs/dbraw/zinc/78/31/34/570783134.db2.gz NGXGDWJEVZPHSI-UHFFFAOYSA-N 0 0 398.459 5.039 40 0 GKABRN COc1ccccc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000010120321 570783359 /nfs/dbraw/zinc/78/33/59/570783359.db2.gz GCORZHYVOUETOP-UHFFFAOYSA-N 0 0 386.451 5.050 40 0 GKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccc(Cl)cc1 ZINC000010332116 570789702 /nfs/dbraw/zinc/78/97/02/570789702.db2.gz ZHPWAYIBUVMNPE-UHFFFAOYSA-N 0 0 381.928 6.122 40 0 GKABRN Cc1cccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000010447470 570790928 /nfs/dbraw/zinc/79/09/28/570790928.db2.gz QGSCNBUSPUIERQ-UHFFFAOYSA-N 0 0 381.928 5.871 40 0 GKABRN S=C(Nc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 ZINC000013820593 570792572 /nfs/dbraw/zinc/79/25/72/570792572.db2.gz NFXJTCLVLYDJPU-UHFFFAOYSA-N 0 0 397.341 5.525 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011636881 570796716 /nfs/dbraw/zinc/79/67/16/570796716.db2.gz HJTQZZOCRBPRTP-INIZCTEOSA-N 0 0 387.785 5.164 40 0 GKABRN O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1Cl ZINC000014211796 570829835 /nfs/dbraw/zinc/82/98/35/570829835.db2.gz VQBMZRRXUYHPAL-UHFFFAOYSA-N 0 0 379.218 5.359 40 0 GKABRN CCN(CC)Cc1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 ZINC000071260537 570831789 /nfs/dbraw/zinc/83/17/89/570831789.db2.gz FBDKBUCKZJYQOW-UHFFFAOYSA-N 0 0 399.608 5.290 40 0 GKABRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(NCc1ccccc1)c1ccccc1 ZINC000013301203 570839435 /nfs/dbraw/zinc/83/94/35/570839435.db2.gz HJIGZBPJUFYJDC-QLCJKUNUSA-N 0 0 385.488 5.772 40 0 GKABRN COc1ccc(-n2c(-c3ccc(F)cc3)cnc2SCc2ccccc2)cc1 ZINC000013427296 570848841 /nfs/dbraw/zinc/84/88/41/570848841.db2.gz FTAUBRKIKIILQI-UHFFFAOYSA-N 0 0 390.483 5.979 40 0 GKABRN Cc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)C[C@H](c1ccccc1)O3 ZINC000013563886 570852086 /nfs/dbraw/zinc/85/20/86/570852086.db2.gz LVIJEXRZBOKXRN-RUZDIDTESA-N 0 0 380.491 5.679 40 0 GKABRN COc1ccc2nc3c(cc2c1)CN(Cc1ccccc1)C[C@@H](c1ccccc1)O3 ZINC000013563997 570852452 /nfs/dbraw/zinc/85/24/52/570852452.db2.gz JSKFPFQVFGGABL-VWLOTQADSA-N 0 0 396.490 5.379 40 0 GKABRN Cn1c(/C=C(\OC(=O)c2ccccc2F)c2ccccc2F)nc2ccccc21 ZINC000013590560 570853116 /nfs/dbraw/zinc/85/31/16/570853116.db2.gz HLXXKJRMECUNEU-STZFKDTASA-N 0 0 390.389 5.207 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc2ccccc2c1 ZINC000013627326 570861640 /nfs/dbraw/zinc/86/16/40/570861640.db2.gz BAJNEPRDACFPRG-UHFFFAOYSA-N 0 0 398.300 6.034 40 0 GKABRN O=C(Nc1cccc(C(F)(F)F)c1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl ZINC000013711775 570863594 /nfs/dbraw/zinc/86/35/94/570863594.db2.gz XTGLIVITYKYLTH-PFNKYVCDSA-N 0 0 392.248 5.500 40 0 GKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3)n2C)cc1 ZINC000013871191 570864968 /nfs/dbraw/zinc/86/49/68/570864968.db2.gz IOMFCCOCAUOBAY-CQSZACIVSA-N 0 0 387.936 5.463 40 0 GKABRN COc1cc(C=Cc2cc(=O)c3ccccc3[nH]2)ccc1OCc1ccccc1 ZINC000015016941 570871806 /nfs/dbraw/zinc/87/18/06/570871806.db2.gz HVCNICDDXKGHDU-ACCUITESSA-N 0 0 383.447 5.286 40 0 GKABRN CC(C)c1cc(Br)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000216096638 570874208 /nfs/dbraw/zinc/87/42/08/570874208.db2.gz FMLWFJZZHIITSB-UHFFFAOYSA-N 0 0 386.211 5.844 40 0 GKABRN O=C(/C=C/c1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014002755 570874780 /nfs/dbraw/zinc/87/47/80/570874780.db2.gz BOXFJSHTVUSHQI-BUHFOSPRSA-N 0 0 382.891 5.008 40 0 GKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014006988 570875041 /nfs/dbraw/zinc/87/50/41/570875041.db2.gz UKIMXLWWOXCQCL-QMMMGPOBSA-N 0 0 379.070 5.706 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000014036324 570876464 /nfs/dbraw/zinc/87/64/64/570876464.db2.gz DZPOXESNBDNVFS-HSZRJFAPSA-N 0 0 375.468 5.370 40 0 GKABRN CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000014069361 570876940 /nfs/dbraw/zinc/87/69/40/570876940.db2.gz ACPDCMHBCLKTOE-UHFFFAOYSA-N 0 0 398.746 6.218 40 0 GKABRN CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000014070012 570876949 /nfs/dbraw/zinc/87/69/49/570876949.db2.gz WEFXQOGZZWFGNB-UHFFFAOYSA-N 0 0 398.746 6.218 40 0 GKABRN O=C(COc1ccccc1)c1cn(CCOc2ccccc2F)c2ccccc12 ZINC000014135926 570877171 /nfs/dbraw/zinc/87/71/71/570877171.db2.gz NRFDYPDMAOYZGM-UHFFFAOYSA-N 0 0 389.426 5.121 40 0 GKABRN O=C(COc1ccccc1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000014135931 570877430 /nfs/dbraw/zinc/87/74/30/570877430.db2.gz PBCRSLIWNVMANW-UHFFFAOYSA-N 0 0 375.855 5.605 40 0 GKABRN CCN(CC)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1N ZINC000072229410 570878629 /nfs/dbraw/zinc/87/86/29/570878629.db2.gz OQTLHRRPLBIILU-UHFFFAOYSA-N 0 0 386.710 5.328 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000014397716 570883168 /nfs/dbraw/zinc/88/31/68/570883168.db2.gz NXQIYFNGJZMYNM-LBPRGKRZSA-N 0 0 394.284 5.292 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014399175 570883995 /nfs/dbraw/zinc/88/39/95/570883995.db2.gz HJKUKTVBXIBPQQ-SECBINFHSA-N 0 0 378.177 5.418 40 0 GKABRN Cc1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Br ZINC000014399854 570884461 /nfs/dbraw/zinc/88/44/61/570884461.db2.gz MTQCXBUFJZMVFR-CYBMUJFWSA-N 0 0 396.712 5.434 40 0 GKABRN CCCC[C@H](CC)COC(=O)c1cccc(C(=O)OC[C@@H](CC)CCCC)c1 ZINC000003875892 570884957 /nfs/dbraw/zinc/88/49/57/570884957.db2.gz WXZOXVVKILCOPG-PMACEKPBSA-N 0 0 390.564 6.433 40 0 GKABRN Cc1ccc(CSCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000014411477 570891564 /nfs/dbraw/zinc/89/15/64/570891564.db2.gz 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/nfs/dbraw/zinc/93/22/18/570932218.db2.gz YZUSNWUYDIIROH-FQEVSTJZSA-N 0 0 384.523 6.486 40 0 GKABRN CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757700 570933168 /nfs/dbraw/zinc/93/31/68/570933168.db2.gz AFNJRLFOYDZMMG-UHFFFAOYSA-N 0 0 387.552 6.678 40 0 GKABRN O=C1S/C(=C/c2ccccc2F)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214877596 570933835 /nfs/dbraw/zinc/93/38/35/570933835.db2.gz MPYCMHZNKQMPBA-OVCLIPMQSA-N 0 0 382.243 5.369 40 0 GKABRN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1O ZINC000226242933 570935263 /nfs/dbraw/zinc/93/52/63/570935263.db2.gz DQJIPRTWVABZMM-UHFFFAOYSA-N 0 0 375.049 5.022 40 0 GKABRN O=C(Nc1ccc2nc(-c3ccc(Cl)cc3Cl)oc2c1)C(F)(F)F ZINC000226271756 570935691 /nfs/dbraw/zinc/93/56/91/570935691.db2.gz IRRCGNRAMPIPRN-UHFFFAOYSA-N 0 0 375.133 5.302 40 0 GKABRN O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1F ZINC000214369728 570942046 /nfs/dbraw/zinc/94/20/46/570942046.db2.gz YOHSPFOFAROELR-OVCLIPMQSA-N 0 0 382.243 5.369 40 0 GKABRN COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000214428179 570942254 /nfs/dbraw/zinc/94/22/54/570942254.db2.gz FMZJETKRDWKNHP-LZYBPNLTSA-N 0 0 394.279 5.239 40 0 GKABRN Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4cccc(C)c4)cc3)nc2c1 ZINC000036646437 570944109 /nfs/dbraw/zinc/94/41/09/570944109.db2.gz BMEKKTHTYWQZAC-UHFFFAOYSA-N 0 0 387.508 5.724 40 0 GKABRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000020238141 570944908 /nfs/dbraw/zinc/94/49/08/570944908.db2.gz IEMBDZMTXRTNNO-UHFFFAOYSA-N 0 0 397.927 5.791 40 0 GKABRN O=C(Nc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)c1ccco1 ZINC000020410985 570946088 /nfs/dbraw/zinc/94/60/88/570946088.db2.gz PFINJLMEWAPHFZ-UHFFFAOYSA-N 0 0 397.843 5.047 40 0 GKABRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc4ccccc43)sc2c1 ZINC000020411804 570946292 /nfs/dbraw/zinc/94/62/92/570946292.db2.gz IENNHUHNUMFMTQ-UHFFFAOYSA-N 0 0 390.464 5.267 40 0 GKABRN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000020412199 570946339 /nfs/dbraw/zinc/94/63/39/570946339.db2.gz SHZPWNMEFAGZJA-KRWDZBQOSA-N 0 0 395.499 5.606 40 0 GKABRN CC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 ZINC000020412108 570946476 /nfs/dbraw/zinc/94/64/76/570946476.db2.gz NVFQJXZEFRHTCI-UHFFFAOYSA-N 0 0 381.472 5.216 40 0 GKABRN O=C(CCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000001555361 570947235 /nfs/dbraw/zinc/94/72/35/570947235.db2.gz VOJRFGKKQMVGPH-UHFFFAOYSA-N 0 0 396.078 5.057 40 0 GKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000199720750 570951707 /nfs/dbraw/zinc/95/17/07/570951707.db2.gz PKPPQYLLPCNLAH-UHFFFAOYSA-N 0 0 386.801 6.135 40 0 GKABRN Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(C)cc2Br)c1 ZINC000228949956 570951974 /nfs/dbraw/zinc/95/19/74/570951974.db2.gz PQFWVWRLEHMWHV-UHFFFAOYSA-N 0 0 377.282 5.534 40 0 GKABRN COc1ccc2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2c1 ZINC000228947270 570952102 /nfs/dbraw/zinc/95/21/02/570952102.db2.gz DAXVHPOHDVSWOO-UHFFFAOYSA-N 0 0 392.324 6.086 40 0 GKABRN O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC000225074370 570952865 /nfs/dbraw/zinc/95/28/65/570952865.db2.gz YTLCJVKYGJVPJI-UHFFFAOYSA-N 0 0 394.696 5.676 40 0 GKABRN Cc1ccc(-c2ocnc2C(=O)Nc2ccc3nc(-c4cccnc4)oc3c2)cc1 ZINC000019212027 570960827 /nfs/dbraw/zinc/96/08/27/570960827.db2.gz VKQURGFAWGQINR-UHFFFAOYSA-N 0 0 396.406 5.106 40 0 GKABRN COc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C ZINC000037509617 570965159 /nfs/dbraw/zinc/96/51/59/570965159.db2.gz OXTFLJRDPCUZSG-UHFFFAOYSA-N 0 0 399.126 5.449 40 0 GKABRN Cc1csc([C@@H](Cc2ccsc2)NCc2[nH]c3ccc(F)cc3c2C)n1 ZINC000019240209 570968838 /nfs/dbraw/zinc/96/88/38/570968838.db2.gz OIDFEKFYXIRQRP-GOSISDBHSA-N 0 0 385.533 5.515 40 0 GKABRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1Cl ZINC000000941455 570985985 /nfs/dbraw/zinc/98/59/85/570985985.db2.gz PYLMCXXCCGNZBG-JXMROGBWSA-N 0 0 380.669 5.153 40 0 GKABRN Cc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1 ZINC000000957904 570986327 /nfs/dbraw/zinc/98/63/27/570986327.db2.gz GILQHNCWYAZJDI-WJDWOHSUSA-N 0 0 399.313 5.493 40 0 GKABRN CCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000000936412 570986352 /nfs/dbraw/zinc/98/63/52/570986352.db2.gz 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CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c1 ZINC000020450695 207193830 /nfs/dbraw/zinc/19/38/30/207193830.db2.gz PFPOBNBUUXOLFO-QFIPXVFZSA-N 0 0 391.467 5.121 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020458000 207194471 /nfs/dbraw/zinc/19/44/71/207194471.db2.gz QSLFNAJLDHUKBB-LOSJGSFVSA-N 0 0 387.523 5.675 40 0 GKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c2ccccc2)cc1 ZINC000020460018 207194665 /nfs/dbraw/zinc/19/46/65/207194665.db2.gz GVJXPUCVMIOWCJ-SQJMNOBHSA-N 0 0 387.523 5.593 40 0 GKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 ZINC000020455871 207195038 /nfs/dbraw/zinc/19/50/38/207195038.db2.gz VLZQPSMRMRKKQV-FOIQADDNSA-N 0 0 375.896 5.020 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000020460429 207195902 /nfs/dbraw/zinc/19/59/02/207195902.db2.gz OVQXWNYCBAHRRJ-ILBGXUMGSA-N 0 0 387.523 5.675 40 0 GKABRN CCOc1ccccc1CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000020493365 207199578 /nfs/dbraw/zinc/19/95/78/207199578.db2.gz TWCQBSSURHZQLR-LTGZKZEYSA-N 0 0 391.898 5.596 40 0 GKABRN Fc1ccc(N[C@@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)c(F)c1 ZINC000020509742 207199674 /nfs/dbraw/zinc/19/96/74/207199674.db2.gz JSJYWIPLQMQXJD-LJQANCHMSA-N 0 0 381.357 5.355 40 0 GKABRN CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000020499604 207199874 /nfs/dbraw/zinc/19/98/74/207199874.db2.gz VAVUANSKGCGVGC-HSZRJFAPSA-N 0 0 386.495 5.919 40 0 GKABRN COc1ccccc1Nc1ncccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022053568 207246011 /nfs/dbraw/zinc/24/60/11/207246011.db2.gz RTKWZVKEUKUGGO-UHFFFAOYSA-N 0 0 387.361 5.105 40 0 GKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccccc1Cl ZINC000022072563 207246145 /nfs/dbraw/zinc/24/61/45/207246145.db2.gz SXOHQNUVRORREL-UHFFFAOYSA-N 0 0 392.673 6.038 40 0 GKABRN Cc1ccccc1Nc1ncccc1C(=O)Nc1ccccc1Br ZINC000022072678 207247182 /nfs/dbraw/zinc/24/71/82/207247182.db2.gz ULHQQCHULGOREW-UHFFFAOYSA-N 0 0 382.261 5.148 40 0 GKABRN O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022053582 207247221 /nfs/dbraw/zinc/24/72/21/207247221.db2.gz MEERWEFZAKHSTN-UHFFFAOYSA-N 0 0 391.780 5.750 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(Cl)cccc1Cl ZINC000022237736 207249272 /nfs/dbraw/zinc/24/92/72/207249272.db2.gz WPURYHGMAKZTGF-UHFFFAOYSA-N 0 0 392.311 5.779 40 0 GKABRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022237503 207249816 /nfs/dbraw/zinc/24/98/16/207249816.db2.gz POQVZQBPMDGINQ-UHFFFAOYSA-N 0 0 398.702 5.726 40 0 GKABRN COc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1Cl ZINC000022245349 207250993 /nfs/dbraw/zinc/25/09/93/207250993.db2.gz YAGXXZIZXQIAJL-UHFFFAOYSA-N 0 0 387.892 5.134 40 0 GKABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022257963 207251233 /nfs/dbraw/zinc/25/12/33/207251233.db2.gz IEZRQKKWSVUNSJ-UHFFFAOYSA-N 0 0 386.278 6.133 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000022246118 207251250 /nfs/dbraw/zinc/25/12/50/207251250.db2.gz YPOLHDYFWDIZHE-LLVKDONJSA-N 0 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O=C(NC1CCCCCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030944070 207377156 /nfs/dbraw/zinc/37/71/56/207377156.db2.gz MPPVYQZLPAAQBJ-UHFFFAOYSA-N 0 0 397.390 5.435 40 0 GKABRN O=C(NC1CCCCCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030944065 207378666 /nfs/dbraw/zinc/37/86/66/207378666.db2.gz FXKGKZSRZFUILP-UHFFFAOYSA-N 0 0 397.390 5.435 40 0 GKABRN COc1ccccc1Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000408612503 532952871 /nfs/dbraw/zinc/95/28/71/532952871.db2.gz VNDYNOUNDPOEQM-UHFFFAOYSA-N 0 0 393.826 6.139 40 0 GKABRN COc1ccccc1Oc1ccc(NC(=S)NCCCc2ccccc2)cc1 ZINC000408585614 532952962 /nfs/dbraw/zinc/95/29/62/532952962.db2.gz HBGWHGNBWPGOFW-UHFFFAOYSA-N 0 0 392.524 5.407 40 0 GKABRN COc1ccccc1Oc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cn1 ZINC000408613915 532953061 /nfs/dbraw/zinc/95/30/61/532953061.db2.gz YSIGETYLKBAKPA-UHFFFAOYSA-N 0 0 394.814 5.534 40 0 GKABRN Cc1nc2c(s1)n(Cc1cccc3ccccc31)c(=O)nc2-c1cccs1 ZINC000032616339 207399864 /nfs/dbraw/zinc/39/98/64/207399864.db2.gz XFYWMSUOHKNBKO-UHFFFAOYSA-N 0 0 389.505 5.091 40 0 GKABRN COc1cc(Nc2cc(Cl)nc(-c3cccc(F)c3)n2)c(Cl)cc1Cl ZINC000329062957 532963364 /nfs/dbraw/zinc/96/33/64/532963364.db2.gz XBHQHHMGGXZLEN-UHFFFAOYSA-N 0 0 398.652 5.417 40 0 GKABRN O=C1CCCc2[nH]c3ccc(Cc4ccc5[nH]c6c(c5c4)C(=O)CCC6)cc3c21 ZINC000044699711 207636762 /nfs/dbraw/zinc/63/67/62/207636762.db2.gz HEWAQMKEYLKJLT-UHFFFAOYSA-N 0 0 382.463 5.278 40 0 in-vitro GKABRN COc1ccc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000044847031 207638828 /nfs/dbraw/zinc/63/88/28/207638828.db2.gz RRKFUGKMSFAKHD-UHFFFAOYSA-N 0 0 379.481 5.005 40 0 GKABRN COc1ccc([C@@H](CC(C)C)NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000044885332 207641832 /nfs/dbraw/zinc/64/18/32/207641832.db2.gz JRNZKWBUPDKPBK-LJQANCHMSA-N 0 0 377.937 5.344 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000044883792 207642963 /nfs/dbraw/zinc/64/29/63/207642963.db2.gz SPYFWNJSMFKWBR-XZOQPEGZSA-N 0 0 375.512 5.901 40 0 GKABRN COc1ccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000408907189 533005505 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CCc1ncc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cn1 ZINC000072358212 208003826 /nfs/dbraw/zinc/00/38/26/208003826.db2.gz HMKWWUFXEKAFQY-JOCHJYFZSA-N 0 0 392.934 5.015 40 0 GKABRN Oc1ccc(-c2ccc(Br)cc2)cc1C12CC3CC(CC(C3)C1)C2 ZINC000095080220 208153273 /nfs/dbraw/zinc/15/32/73/208153273.db2.gz AHEASPYYWCOKMO-UHFFFAOYSA-N 0 0 383.329 6.290 40 0 GKABRN COc1ccc(Oc2ccc(NC(=S)NCCCc3ccccc3)cc2)cc1 ZINC000408585931 533035967 /nfs/dbraw/zinc/03/59/67/533035967.db2.gz LFIZKWCMMMNSAJ-UHFFFAOYSA-N 0 0 392.524 5.407 40 0 GKABRN COc1ccc(Oc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)cc1 ZINC000408608583 533036583 /nfs/dbraw/zinc/03/65/83/533036583.db2.gz OCUFSRGZVQMNEL-UHFFFAOYSA-N 0 0 393.826 6.139 40 0 GKABRN Cc1cc(NC(=O)c2cc3ccc(-c4ccccc4)cn3c2-c2cocn2)ccn1 ZINC000096155529 208277857 /nfs/dbraw/zinc/27/78/57/208277857.db2.gz PGMNCLFTECHDED-UHFFFAOYSA-N 0 0 394.434 5.217 40 0 GKABRN CCCN(CC)C(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 ZINC000096154337 208279599 /nfs/dbraw/zinc/27/95/99/208279599.db2.gz 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COc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC ZINC000007700014 221007046 /nfs/dbraw/zinc/00/70/46/221007046.db2.gz FPAPXWUBKDSYIG-UHFFFAOYSA-N 0 0 397.858 5.189 40 0 GKABRN COc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000007699547 221007421 /nfs/dbraw/zinc/00/74/21/221007421.db2.gz GOCFTWOUUILMQT-UHFFFAOYSA-N 0 0 381.859 5.488 40 0 GKABRN Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000008103827 221027099 /nfs/dbraw/zinc/02/70/99/221027099.db2.gz WZGJIQHKGRGCKM-LJQANCHMSA-N 0 0 375.468 5.288 40 0 GKABRN CCOc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000008254549 221033071 /nfs/dbraw/zinc/03/30/71/221033071.db2.gz HPLXDJMIZJMTNK-SFHVURJKSA-N 0 0 395.930 6.169 40 0 GKABRN O=[S@@](Cc1ccccc1)C(=Cn1c(=S)[nH]c2ccccc21)c1ccccc1 ZINC000008651972 221048275 /nfs/dbraw/zinc/04/82/75/221048275.db2.gz SNCMAWAWKMXKQN-DHRJEXSOSA-N 0 0 390.533 5.603 40 0 GKABRN Fc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 ZINC000009200100 221073374 /nfs/dbraw/zinc/07/33/74/221073374.db2.gz QWWBYVVVYFKZNY-UHFFFAOYSA-N 0 0 376.456 5.681 40 0 GKABRN CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000010334489 221101376 /nfs/dbraw/zinc/10/13/76/221101376.db2.gz RCWRFJNKPHIIDG-UHFFFAOYSA-N 0 0 383.841 6.228 40 0 GKABRN COC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 ZINC000010434477 221102597 /nfs/dbraw/zinc/10/25/97/221102597.db2.gz NKRBVYLWPOTRSF-UHFFFAOYSA-N 0 0 399.556 5.282 40 0 GKABRN O=C1C[C@@H](c2cccc(Cl)c2)Cc2c1cnn2-c1nc2ccccc2s1 ZINC000010156818 221098755 /nfs/dbraw/zinc/09/87/55/221098755.db2.gz WOZJVDSPHMYDRI-ZDUSSCGKSA-N 0 0 379.872 5.048 40 0 GKABRN Cc1cc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Cl ZINC000010276560 221100352 /nfs/dbraw/zinc/10/03/52/221100352.db2.gz YGVUQLYXIPAIIJ-SJORKVTESA-N 0 0 387.951 5.899 40 0 GKABRN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3ccccc3F)no2)cc1 ZINC000012185293 221164517 /nfs/dbraw/zinc/16/45/17/221164517.db2.gz BVTFKXWCKSOVHK-OAQYLSRUSA-N 0 0 394.446 5.247 40 0 GKABRN COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000012210616 221168049 /nfs/dbraw/zinc/16/80/49/221168049.db2.gz DBHIUQMGBDYDJA-UHFFFAOYSA-N 0 0 375.902 5.447 40 0 GKABRN COc1ccccc1C(=O)N1CC[C@]2(Cl)CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000012290556 221174128 /nfs/dbraw/zinc/17/41/28/221174128.db2.gz VHMFVWTUZWDYPE-UNWVZKJWSA-N 0 0 383.919 5.450 40 0 GKABRN COc1ccc(/C=C(/C(=O)Nc2cccc(OC(C)C)c2)c2ccccc2)cc1 ZINC000408564263 533222926 /nfs/dbraw/zinc/22/29/26/533222926.db2.gz UJYDZKPOKPJYRZ-LFVJCYFKSA-N 0 0 387.479 5.662 40 0 GKABRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)/C(=C/c1ccccc1)Cc1ccccc1 ZINC000013404580 221268370 /nfs/dbraw/zinc/26/83/70/221268370.db2.gz OLNIWACFNNMLJN-IZFXSOCTSA-N 0 0 376.540 6.317 40 0 GKABRN Cc1cccc2cc3c(nc12)O[C@@H](c1ccccc1)CN(Cc1ccccc1)C3 ZINC000013563884 221273248 /nfs/dbraw/zinc/27/32/48/221273248.db2.gz KUMFVXMMMKWOLG-XMMPIXPASA-N 0 0 380.491 5.679 40 0 GKABRN C[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013774761 221287868 /nfs/dbraw/zinc/28/78/68/221287868.db2.gz UTGDNJJIIJQUEB-CYBMUJFWSA-N 0 0 391.378 5.794 40 0 GKABRN COc1ccc(/C=C(/C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1 ZINC000408582781 533223693 /nfs/dbraw/zinc/22/36/93/533223693.db2.gz XQPXOZYWMNGNML-NBVRZTHBSA-N 0 0 398.289 6.181 40 0 GKABRN FC(F)(F)c1ccccc1NC(=S)Nc1ccccc1Br ZINC000013787189 221289154 /nfs/dbraw/zinc/28/91/54/221289154.db2.gz PGUGNLGGTUGBLX-UHFFFAOYSA-N 0 0 375.213 5.277 40 0 GKABRN C[C@H](NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013669194 221279816 /nfs/dbraw/zinc/27/98/16/221279816.db2.gz KECAEMKYPQNPHH-HNNXBMFYSA-N 0 0 375.965 5.997 40 0 GKABRN Cc1ccccc1CSCCNC(=O)c1ccccc1CCc1ccccc1 ZINC000013688319 221280741 /nfs/dbraw/zinc/28/07/41/221280741.db2.gz NRTSDYJRCYYUHB-UHFFFAOYSA-N 0 0 389.564 5.443 40 0 GKABRN CC(=O)Nc1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000013687833 221280833 /nfs/dbraw/zinc/28/08/33/221280833.db2.gz PARMNPASCSVGGJ-UHFFFAOYSA-N 0 0 394.858 5.130 40 0 GKABRN Cc1cc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)ccc1Br ZINC000013708372 221283509 /nfs/dbraw/zinc/28/35/09/221283509.db2.gz FBDVZSCUMBVOCH-CQSZACIVSA-N 0 0 384.273 5.317 40 0 GKABRN COc1ccc(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000013971989 221294846 /nfs/dbraw/zinc/29/48/46/221294846.db2.gz FXGHTNZTLOJTLY-UHFFFAOYSA-N 0 0 393.870 5.069 40 0 GKABRN CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1 ZINC000014607125 221312939 /nfs/dbraw/zinc/31/29/39/221312939.db2.gz NUYAQFWOARZZFM-IBGZPJMESA-N 0 0 393.462 5.354 40 0 GKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccc(OC)cc1 ZINC000014608096 221313420 /nfs/dbraw/zinc/31/34/20/221313420.db2.gz QPJKFWVYUGABEF-NRFANRHFSA-N 0 0 387.439 5.028 40 0 GKABRN Cc1nn2c(c1-c1ccccc1)N=C(c1ccc(F)cc1)C[C@@H]2c1ccncc1 ZINC000014607120 221313516 /nfs/dbraw/zinc/31/35/16/221313516.db2.gz MYXBCDGDWMEVKL-JOCHJYFZSA-N 0 0 382.442 5.507 40 0 GKABRN CCc1nn2c(c1-c1ccccc1)N=C(c1ccc(F)cc1)C[C@@H]2c1ccccn1 ZINC000014607602 221313714 /nfs/dbraw/zinc/31/37/14/221313714.db2.gz FPBCQPCPIHEROA-HSZRJFAPSA-N 0 0 396.469 5.761 40 0 GKABRN Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C ZINC000014649492 221314794 /nfs/dbraw/zinc/31/47/94/221314794.db2.gz QWRXMXYVBUILTA-UHFFFAOYSA-N 0 0 390.321 5.381 40 0 GKABRN CCC[C@H]1Nc2cc3ccccc3cc2[C@H](Nc2ccc3ccccc3c2)[C@@H]1CC ZINC000015134107 221334038 /nfs/dbraw/zinc/33/40/38/221334038.db2.gz HQZMQFIQDVYNQA-OROMBRFGSA-N 0 0 394.562 7.767 40 0 GKABRN Cc1ccc([C@@H](NC(=O)CSCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000015321874 221335164 /nfs/dbraw/zinc/33/51/64/221335164.db2.gz HGELEJCWJWFKBU-QHCPKHFHSA-N 0 0 379.500 5.273 40 0 GKABRN O=C(N(Cc1ccco1)Cc1cccs1)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2 ZINC000014999681 221326672 /nfs/dbraw/zinc/32/66/72/221326672.db2.gz AOKQBPHIDSLJFA-XBLGPDGASA-N 0 0 389.948 5.448 40 0 GKABRN COc1ccc(C2=NN(c3ccc(C)c(Cl)c3)[C@H](c3ccccc3)C2)cc1 ZINC000016312891 221360609 /nfs/dbraw/zinc/36/06/09/221360609.db2.gz BWSXYJPOBIGLKM-QHCPKHFHSA-N 0 0 376.887 6.013 40 0 GKABRN O=C(c1ccccc1)[C@@H](Sc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000016476474 221363219 /nfs/dbraw/zinc/36/32/19/221363219.db2.gz ZUQYGVUXMFMIJY-FQEVSTJZSA-N 0 0 395.936 6.666 40 0 GKABRN Nc1c2ccccc2oc1-c1nc2ccccc2nc1-c1oc2ccccc2c1N ZINC000016525281 221364605 /nfs/dbraw/zinc/36/46/05/221364605.db2.gz CXGBXFMAOKZDQK-UHFFFAOYSA-N 0 0 392.418 5.621 40 0 GKABRN Clc1ccc2nc(-c3cc4ccccc4o3)c(-c3cc4ccccc4o3)nc2c1 ZINC000016525739 221365094 /nfs/dbraw/zinc/36/50/94/221365094.db2.gz CDBDOJHWYTYSJE-UHFFFAOYSA-N 0 0 396.833 7.110 40 0 GKABRN CCc1ccc(-c2cs/c(=N\c3cc(C(F)(F)F)ccc3Cl)n2N)cc1 ZINC000016035385 221355989 /nfs/dbraw/zinc/35/59/89/221355989.db2.gz ZPBABHWVYOHGBC-ULJHMMPZSA-N 0 0 397.853 5.397 40 0 GKABRN CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 ZINC000016757697 221370457 /nfs/dbraw/zinc/37/04/57/221370457.db2.gz ZQLFCKIZPXWUBT-KRWDZBQOSA-N 0 0 387.508 5.466 40 0 GKABRN Cc1nc2sc3c(c2c(SCC(=O)c2ccc4ccccc4c2)n1)CCC3 ZINC000016756555 221370522 /nfs/dbraw/zinc/37/05/22/221370522.db2.gz LVSRBLMUAXRDHD-UHFFFAOYSA-N 0 0 390.533 5.617 40 0 GKABRN CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757906 221370857 /nfs/dbraw/zinc/37/08/57/221370857.db2.gz ZQYJLIOXXVADPH-UHFFFAOYSA-N 0 0 393.943 6.633 40 0 GKABRN COc1ccc(C2=CC3=CC[C@H]4[C@@H]5CC[C@@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)s1 ZINC000016923434 221373229 /nfs/dbraw/zinc/37/32/29/221373229.db2.gz WGEUFSKQOAMPKS-JVSMEYDISA-N 0 0 384.585 6.074 40 0 GKABRN COc1ccc(/C=C/c2nc3ccccc3nc2/C=C\c2ccc(OC)cc2)cc1 ZINC000016893031 221373615 /nfs/dbraw/zinc/37/36/15/221373615.db2.gz SYIXBDFCOLPXSD-MJZABRMRSA-N 0 0 394.474 5.988 40 0 GKABRN COc1ccc(Cc2[nH]c(=S)nc3nc(Nc4ccccc4)sc32)cc1 ZINC000017724586 221385147 /nfs/dbraw/zinc/38/51/47/221385147.db2.gz DHYLFXJYKHKSEB-RVDMUPIBSA-N 0 0 380.498 5.105 40 0 GKABRN Cc1ccc(-c2nnc(-c3cccc(NC(=O)CCCc4ccccc4)c3)o2)cc1 ZINC000018051155 221386280 /nfs/dbraw/zinc/38/62/80/221386280.db2.gz AUWIYKMMFBFCOD-UHFFFAOYSA-N 0 0 397.478 5.673 40 0 GKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020041728 221469987 /nfs/dbraw/zinc/46/99/87/221469987.db2.gz JNQNDRDOTKNRCA-QHCPKHFHSA-N 0 0 377.459 5.212 40 0 GKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(OC)cc2)c2ccccc2)cc1 ZINC000020111000 221472428 /nfs/dbraw/zinc/47/24/28/221472428.db2.gz SYQITYIZMLAQBL-KHCKMINHSA-N 0 0 387.479 5.122 40 0 GKABRN CSc1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020460851 221490796 /nfs/dbraw/zinc/49/07/96/221490796.db2.gz BJIWMUOGCKKBRF-UHFFFAOYSA-N 0 0 395.549 5.832 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccccc1 ZINC000020490768 221493663 /nfs/dbraw/zinc/49/36/63/221493663.db2.gz QKQCQRKFHWKDKC-RXFWQSSRSA-N 0 0 395.502 5.821 40 0 GKABRN C[C@@H]1Cc2c(c(Nc3cccc(C(F)(F)F)c3)nn2-c2ccccc2)C(=O)C1 ZINC000020671928 221507216 /nfs/dbraw/zinc/50/72/16/221507216.db2.gz DAQZMMUJQLHHJC-CYBMUJFWSA-N 0 0 385.389 5.400 40 0 GKABRN COc1ccc(-n2nc(Nc3cccc(C)c3C)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796966 221511473 /nfs/dbraw/zinc/51/14/73/221511473.db2.gz KSGODDXAGNXYEQ-CQSZACIVSA-N 0 0 375.472 5.006 40 0 GKABRN CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H]1c3sccc3CC(C)(C)[C@@H]1C2 ZINC000257282864 209067158 /nfs/dbraw/zinc/06/71/58/209067158.db2.gz OVPIIHZWDZDNII-IAGOWNOFSA-N 0 0 391.577 5.425 40 0 GKABRN CCC(=O)N[C@]1(C)C[C@H](c2ccc(F)cc2Cl)O[C@H](c2ccc(F)cc2)C1 ZINC000257297124 209071002 /nfs/dbraw/zinc/07/10/02/209071002.db2.gz RFZAUZUJSWIDJN-ZVDOUQERSA-N 0 0 393.861 5.496 40 0 GKABRN O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257297636 209071171 /nfs/dbraw/zinc/07/11/71/209071171.db2.gz RIFMWENBWCPOAT-LJQANCHMSA-N 0 0 386.451 5.031 40 0 GKABRN COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(C)c3)sc2c1Cl ZINC000408971380 533240005 /nfs/dbraw/zinc/24/00/05/533240005.db2.gz NNWKPWMIJBSLKB-UHFFFAOYSA-N 0 0 380.296 6.086 40 0 GKABRN COc1cccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1OC(C)C ZINC000409133418 533387862 /nfs/dbraw/zinc/38/78/62/533387862.db2.gz MITXNLRXBPDRHU-LDADJPATSA-N 0 0 389.517 5.099 40 0 GKABRN COc1ccc2nc(C)c(C(=O)Nc3ccccc3Oc3ccccc3)cc2c1 ZINC000408713675 533345396 /nfs/dbraw/zinc/34/53/96/533345396.db2.gz KUMGDBXQZLUJAK-UHFFFAOYSA-N 0 0 384.435 5.596 40 0 GKABRN COc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1OC ZINC000006247258 533350266 /nfs/dbraw/zinc/35/02/66/533350266.db2.gz PBJSQPSFTXIQTE-UHFFFAOYSA-N 0 0 390.464 5.233 40 0 GKABRN CO[C@@H](C(=O)Nc1ccc(CSc2ccccc2)cc1C)c1ccccc1 ZINC000408923344 533321935 /nfs/dbraw/zinc/32/19/35/533321935.db2.gz CARGLAONVYNDRT-JOCHJYFZSA-N 0 0 377.509 5.614 40 0 GKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000118934206 533445079 /nfs/dbraw/zinc/44/50/79/533445079.db2.gz KRBPSZPEGAZZAB-MGDRWAAASA-N 0 0 386.576 5.580 40 0 GKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118925621 533445370 /nfs/dbraw/zinc/44/53/70/533445370.db2.gz HDXFKPPIKDSQGU-JMJUXQCLSA-N 0 0 388.592 5.372 40 0 GKABRN COc1c(C)cccc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000008570695 533406003 /nfs/dbraw/zinc/40/60/03/533406003.db2.gz OBWGAEYCYFYUEI-UHFFFAOYSA-N 0 0 391.250 5.927 40 0 GKABRN COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000408620002 533406436 /nfs/dbraw/zinc/40/64/36/533406436.db2.gz GGODZCZDHBHMJQ-UHFFFAOYSA-N 0 0 392.842 5.718 40 0 GKABRN COc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 ZINC000408627815 533418799 /nfs/dbraw/zinc/41/87/99/533418799.db2.gz NZFOWAFFOIOZGG-UHFFFAOYSA-N 0 0 377.831 5.144 40 0 GKABRN COc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408556771 533422188 /nfs/dbraw/zinc/42/21/88/533422188.db2.gz LMLAOXSCMYTDMO-UHFFFAOYSA-N 0 0 395.511 6.030 40 0 GKABRN COc1ccc(C2(C(=O)Nc3ccc(OC)c4ncccc34)CCCCC2)cc1 ZINC000225871597 533425275 /nfs/dbraw/zinc/42/52/75/533425275.db2.gz COWWGMKSKTXATH-UHFFFAOYSA-N 0 0 390.483 5.093 40 0 GKABRN COc1cc(C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1 ZINC000408621103 533556683 /nfs/dbraw/zinc/55/66/83/533556683.db2.gz NPXMIANBHVXWHT-UHFFFAOYSA-N 0 0 381.859 5.488 40 0 GKABRN COc1cc(C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C)cc1 ZINC000408555544 533558503 /nfs/dbraw/zinc/55/85/03/533558503.db2.gz XWYJHKBUJQZUEH-UHFFFAOYSA-N 0 0 375.468 5.452 40 0 GKABRN COc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc2ccccc21 ZINC000409206582 533560772 /nfs/dbraw/zinc/56/07/72/533560772.db2.gz PQUPCJIBIOQEKB-UHFFFAOYSA-N 0 0 391.536 5.589 40 0 GKABRN COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1 ZINC000409195096 533561085 /nfs/dbraw/zinc/56/10/85/533561085.db2.gz PDBJXYLPRWPQEW-UHFFFAOYSA-N 0 0 389.520 5.008 40 0 GKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2O)SC1Nc1ccccc1 ZINC000408809487 533606595 /nfs/dbraw/zinc/60/65/95/533606595.db2.gz RTOPUCZTVNAZGT-LWWHVIEISA-N 0 0 393.532 5.446 40 0 GKABRN COc1cccc(NC(=O)c2sc3c(ccc(OC)c3Cl)c2Cl)c1 ZINC000408969885 533615751 /nfs/dbraw/zinc/61/57/51/533615751.db2.gz WHUJVWDXIMXFEM-UHFFFAOYSA-N 0 0 382.268 5.478 40 0 GKABRN COc1cccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000408970404 533615849 /nfs/dbraw/zinc/61/58/49/533615849.db2.gz HLADGAHTHCEHJK-UHFFFAOYSA-N 0 0 386.687 6.122 40 0 GKABRN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 ZINC000408628852 533638179 /nfs/dbraw/zinc/63/81/79/533638179.db2.gz DQJQQTHXTBBOPL-IBGZPJMESA-N 0 0 380.532 5.515 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000040945166 132409527 /nfs/dbraw/zinc/40/95/27/132409527.db2.gz CYOYGKXJMHCDNN-SFHVURJKSA-N 0 0 380.532 5.380 40 0 GKABRN CC(C)c1ccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)cc1 ZINC000072229173 136167596 /nfs/dbraw/zinc/16/75/96/136167596.db2.gz FJKWCYKUUFVGPW-OAHLLOKOSA-N 0 0 385.939 5.677 40 0 GKABRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N ZINC000072229210 136167665 /nfs/dbraw/zinc/16/76/65/136167665.db2.gz IPRFLHAPOAPIHW-LBPRGKRZSA-N 0 0 378.303 5.207 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N1CCC(C)CC1 ZINC000226329721 136192539 /nfs/dbraw/zinc/19/25/39/136192539.db2.gz HONPRHQYEFEAOB-UHFFFAOYSA-N 0 0 379.548 5.363 40 0 GKABRN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226255102 136192541 /nfs/dbraw/zinc/19/25/41/136192541.db2.gz NUASEDJGFQPZCA-GFCCVEGCSA-N 0 0 378.303 5.207 40 0 GKABRN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226254534 136192592 /nfs/dbraw/zinc/19/25/92/136192592.db2.gz YIYFYZUSNJGOJS-SFHVURJKSA-N 0 0 385.511 5.567 40 0 GKABRN CC1CCN(c2ccc(N)cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000226254933 136192635 /nfs/dbraw/zinc/19/26/35/136192635.db2.gz RIIXMFZSEVFUAR-UHFFFAOYSA-N 0 0 378.303 5.064 40 0 GKABRN Nc1ccc(N2CCCCC2)c(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000226324508 136192682 /nfs/dbraw/zinc/19/26/82/136192682.db2.gz AKZOQRIQKIXIFD-UHFFFAOYSA-N 0 0 398.721 5.472 40 0 GKABRN COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1OC ZINC000226363446 136192754 /nfs/dbraw/zinc/19/27/54/136192754.db2.gz SBUYGLZLKPSUAZ-UHFFFAOYSA-N 0 0 397.883 5.800 40 0 GKABRN CCCOc1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 ZINC000226363526 136192793 /nfs/dbraw/zinc/19/27/93/136192793.db2.gz ROAXQIBLDIZYIO-UHFFFAOYSA-N 0 0 395.911 6.572 40 0 GKABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCC[C@@H]1C ZINC000226330866 136192835 /nfs/dbraw/zinc/19/28/35/136192835.db2.gz MNGHKALQJXXVBG-ZDUSSCGKSA-N 0 0 392.330 5.515 40 0 GKABRN Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)cc1 ZINC000004980423 136194483 /nfs/dbraw/zinc/19/44/83/136194483.db2.gz ATYJWIQNFPLKLZ-WOJBJXKFSA-N 0 0 396.538 5.854 40 0 GKABRN Cc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC(C)CC4)n3n2)cc1 ZINC000004980413 136194524 /nfs/dbraw/zinc/19/45/24/136194524.db2.gz PBXKNUNQBSSAID-UHFFFAOYSA-N 0 0 382.511 5.608 40 0 GKABRN CC1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000004980542 136194547 /nfs/dbraw/zinc/19/45/47/136194547.db2.gz XPHINROICUSGQR-UHFFFAOYSA-N 0 0 386.474 5.439 40 0 GKABRN Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@@H]2CCC[C@H]2CN4C[C@@H]2CCC[C@@H]32)c1 ZINC000169683753 136197533 /nfs/dbraw/zinc/19/75/33/136197533.db2.gz KSSSRFZOZNQEAX-SEIRJHJZSA-N 0 0 386.539 5.848 40 0 GKABRN Cc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21 ZINC000169683720 136197578 /nfs/dbraw/zinc/19/75/78/136197578.db2.gz NIQKOFGPYDMLSJ-MOXQZVSFSA-N 0 0 386.539 5.848 40 0 GKABRN COc1ccc(OCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000224316915 136206726 /nfs/dbraw/zinc/20/67/26/136206726.db2.gz ZWPCIXGZYXUGGK-UHFFFAOYSA-N 0 0 392.480 5.087 40 0 GKABRN COc1cccc(Oc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cn2)c1 ZINC000408614007 533679124 /nfs/dbraw/zinc/67/91/24/533679124.db2.gz ZQRKZFPLBCNCDF-UHFFFAOYSA-N 0 0 394.814 5.534 40 0 GKABRN COc1cccc(Oc2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)cc2)c1 ZINC000408606649 533680407 /nfs/dbraw/zinc/68/04/07/533680407.db2.gz LGPCBXPQLPOYSU-UHFFFAOYSA-N 0 0 393.826 6.139 40 0 GKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000021312152 221530409 /nfs/dbraw/zinc/53/04/09/221530409.db2.gz NIUOUEFQLJIHJF-SFHVURJKSA-N 0 0 379.422 5.799 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000022245598 221557067 /nfs/dbraw/zinc/55/70/67/221557067.db2.gz CRJALSYEYSATEX-IBGZPJMESA-N 0 0 377.513 5.027 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000022519705 221561650 /nfs/dbraw/zinc/56/16/50/221561650.db2.gz IULSFHONKFKQFL-XMMPIXPASA-N 0 0 386.495 5.919 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 ZINC000022515579 221562246 /nfs/dbraw/zinc/56/22/46/221562246.db2.gz WZMBVRMCWLQSHM-VGSWGCGISA-N 0 0 379.887 5.322 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)c(Cl)c1 ZINC000022531504 221562732 /nfs/dbraw/zinc/56/27/32/221562732.db2.gz QIHVYTGLIGRGMA-UHFFFAOYSA-N 0 0 398.311 5.042 40 0 GKABRN Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(F)cc1 ZINC000027912630 221662826 /nfs/dbraw/zinc/66/28/26/221662826.db2.gz FDLBYCCBWMRGPX-UHFFFAOYSA-N 0 0 398.503 5.719 40 0 GKABRN O=C(Nc1cccc2ccccc21)c1ccc(COc2ccc(F)cc2F)o1 ZINC000027983532 221663555 /nfs/dbraw/zinc/66/35/55/221663555.db2.gz DCEWRCWZNSLBNF-UHFFFAOYSA-N 0 0 379.362 5.542 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C)c1ccc(C)cc1 ZINC000028236262 221671028 /nfs/dbraw/zinc/67/10/28/221671028.db2.gz SSWKIWHEDBVVFZ-JSGCOSHPSA-N 0 0 387.833 5.001 40 0 GKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000030851574 221704121 /nfs/dbraw/zinc/70/41/21/221704121.db2.gz RQYWMIQHKQEEEU-SFHVURJKSA-N 0 0 375.468 6.008 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1OCC ZINC000030854544 221704768 /nfs/dbraw/zinc/70/47/68/221704768.db2.gz HMNKXLKIYXPTBA-AZUAARDMSA-N 0 0 399.531 5.136 40 0 GKABRN CCOc1ccc(-c2cn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 ZINC000040163761 221916883 /nfs/dbraw/zinc/91/68/83/221916883.db2.gz CXCGVTLPYZKZOA-UHFFFAOYSA-N 0 0 390.914 6.463 40 0 GKABRN CCOc1cccc(C(=O)Nc2ccc3nc(-c4ccc(OC)cc4)oc3c2)c1 ZINC000041086036 221938302 /nfs/dbraw/zinc/93/83/02/221938302.db2.gz LCMCQIWNSAUQKI-UHFFFAOYSA-N 0 0 388.423 5.154 40 0 GKABRN C[C@]1(c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=Nc2ccccc2N1 ZINC000053313385 222010040 /nfs/dbraw/zinc/01/00/40/222010040.db2.gz DONGAHJEMQRHEA-JOCHJYFZSA-N 0 0 381.306 6.845 40 0 GKABRN CC(C)(C)[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(F)cc3)c2C1 ZINC000057774905 222036005 /nfs/dbraw/zinc/03/60/05/222036005.db2.gz JVGBUVBDTPEQSX-MRXNPFEDSA-N 0 0 376.479 5.572 40 0 GKABRN CCN(CC)c1ccc(NC(=S)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000067219650 222140438 /nfs/dbraw/zinc/14/04/38/222140438.db2.gz WTUFWUFWCUHDMU-UHFFFAOYSA-N 0 0 381.467 5.669 40 0 GKABRN CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@H]21 ZINC000067665180 222154464 /nfs/dbraw/zinc/15/44/64/222154464.db2.gz SPIVMHAGTHFLMO-PUKJOLFJSA-N 0 0 386.532 5.001 40 0 in-vitro GKABRN C[C@@H]1CC[C@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CC[C@H]1C(C)(C)C1(Cl)Cl ZINC000072330315 222228734 /nfs/dbraw/zinc/22/87/34/222228734.db2.gz QDLLDCYHCZOLDA-NPRPAKCPSA-N 0 0 383.359 6.304 40 0 GKABRN O=C(CCc1ccccc1)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072357767 222239495 /nfs/dbraw/zinc/23/94/95/222239495.db2.gz FZTWOLPCSRFSTN-DEOSSOPVSA-N 0 0 388.486 5.108 40 0 GKABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358264 222239589 /nfs/dbraw/zinc/23/95/89/222239589.db2.gz QZKJVKLGZOGRDJ-DEOSSOPVSA-N 0 0 388.486 5.108 40 0 GKABRN COc1ccc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)c2ccc(Cl)cc2)cc1 ZINC000072356336 222240056 /nfs/dbraw/zinc/24/00/56/222240056.db2.gz XTDVZWBILWPDLA-FQEVSTJZSA-N 0 0 395.890 5.106 40 0 GKABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000072356108 222240124 /nfs/dbraw/zinc/24/01/24/222240124.db2.gz VARZMHRLIKBLDC-HXUWFJFHSA-N 0 0 382.935 5.140 40 0 GKABRN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3C(=O)C3CCCCC3)c2)s1 ZINC000072372511 222243276 /nfs/dbraw/zinc/24/32/76/222243276.db2.gz SDXDVGCUBUBRAS-LJQANCHMSA-N 0 0 384.549 5.142 40 0 GKABRN COc1ccccc1CNc1ncc(-c2ccccc2)c(-c2scnc2C)n1 ZINC000072391740 222249649 /nfs/dbraw/zinc/24/96/49/222249649.db2.gz VXYBIGAJJAAIGC-UHFFFAOYSA-N 0 0 388.496 5.196 40 0 GKABRN COc1ccc(Br)c(C=O)c1OCc1ccc(Cl)cc1Cl ZINC000095095002 222330402 /nfs/dbraw/zinc/33/04/02/222330402.db2.gz MDUPGZDFGYTIQV-UHFFFAOYSA-N 0 0 390.060 5.156 40 0 GKABRN O=C(Nc1cc(=O)oc2ccccc12)c1sc2cc(Cl)ccc2c1Cl ZINC000095115820 222330854 /nfs/dbraw/zinc/33/08/54/222330854.db2.gz MHRCNORKQMGAPV-UHFFFAOYSA-N 0 0 390.247 5.567 40 0 GKABRN Clc1ccc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc21 ZINC000073634700 222271020 /nfs/dbraw/zinc/27/10/20/222271020.db2.gz SGFUVKWBGHSMCC-UHFFFAOYSA-N 0 0 376.468 5.953 40 0 GKABRN CCN(CC)c1ccc2c(C)c(-c3cc(Cl)ccc3Cl)c(=O)oc2c1 ZINC000079006752 222299788 /nfs/dbraw/zinc/29/97/88/222299788.db2.gz MZTYMDGDMVGSAE-UHFFFAOYSA-N 0 0 376.283 5.921 40 0 GKABRN CC(C)C(=O)c1ccc2ccccc2c1-c1c(C(=O)C(C)C)ccc2ccccc21 ZINC000095611700 222359393 /nfs/dbraw/zinc/35/93/93/222359393.db2.gz VJDYFWMEFVZVRZ-UHFFFAOYSA-N 0 0 394.514 7.337 40 0 GKABRN CCC(CC)NC(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 ZINC000096154320 222391845 /nfs/dbraw/zinc/39/18/45/222391845.db2.gz CEZRRDHXSRKKQS-UHFFFAOYSA-N 0 0 389.455 5.377 40 0 GKABRN CC12C3c4ccccc4C(c4ccccc43)C1C1c3ccccc3C2c2ccccc21 ZINC000104105420 222500153 /nfs/dbraw/zinc/50/01/53/222500153.db2.gz JYLYWAWMIRUGQD-UHFFFAOYSA-N 0 0 396.533 7.191 40 0 GKABRN Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3cc(C)ccc3C)n2)c1 ZINC000408699469 533684612 /nfs/dbraw/zinc/68/46/12/533684612.db2.gz UJXLCOFSUSAPOV-UHFFFAOYSA-N 0 0 396.494 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/nfs/dbraw/zinc/47/23/38/534472338.db2.gz KYOPVQDEMBANFU-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408604814 534472439 /nfs/dbraw/zinc/47/24/39/534472439.db2.gz FHNPPKXLGTTXGO-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Fc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 ZINC000107026952 534472470 /nfs/dbraw/zinc/47/24/70/534472470.db2.gz QQZZTIYSOCZWAD-UHFFFAOYSA-N 0 0 386.264 5.779 40 0 GKABRN Fc1ccc(COc2c(Cl)cc(CNc3ccc(F)cc3)cc2Cl)cc1 ZINC000409196679 534472534 /nfs/dbraw/zinc/47/25/34/534472534.db2.gz XSHSOVXZJUTOJW-UHFFFAOYSA-N 0 0 394.248 6.463 40 0 GKABRN c1cc2n(c1)-c1ccccc1[C@@H](c1ccccc1)N=C2CSc1ccccc1 ZINC000225373746 534476944 /nfs/dbraw/zinc/47/69/44/534476944.db2.gz OPAHSXRYAOQWJE-RUZDIDTESA-N 0 0 380.516 6.162 40 0 GKABRN Cc1ccc2nc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)oc2c1 ZINC000408624842 534486873 /nfs/dbraw/zinc/48/68/73/534486873.db2.gz CMPHTJSXIJJMLR-UHFFFAOYSA-N 0 0 398.249 5.757 40 0 GKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc5ccccc5c4)cc3)oc2c1 ZINC000016348652 534487652 /nfs/dbraw/zinc/48/76/52/534487652.db2.gz QBDHMAADJWBDTE-UHFFFAOYSA-N 0 0 392.458 5.886 40 0 GKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)c(Cl)c1 ZINC000015577292 534488568 /nfs/dbraw/zinc/48/85/68/534488568.db2.gz FKNTYJUBVOAZEK-UHFFFAOYSA-N 0 0 396.661 5.268 40 0 GKABRN c1ccc(Cc2nnc(SCCOc3ccccc3)n2-c2ccccc2)cc1 ZINC000409106697 534492837 /nfs/dbraw/zinc/49/28/37/534492837.db2.gz SRNFMFUDVYIMRK-UHFFFAOYSA-N 0 0 387.508 5.029 40 0 GKABRN Fc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 ZINC000409104848 534519684 /nfs/dbraw/zinc/51/96/84/534519684.db2.gz ITYWDADCFXAEJW-UHFFFAOYSA-N 0 0 395.890 6.019 40 0 GKABRN Fc1cccc(COc2c(Cl)cc(Cl)cc2CNc2ccccc2)c1 ZINC000409110739 534520024 /nfs/dbraw/zinc/52/00/24/534520024.db2.gz GGDWHCQUYDAIKW-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Fc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000409093260 534520058 /nfs/dbraw/zinc/52/00/58/534520058.db2.gz ZOYLURIAKDGWQQ-UHFFFAOYSA-N 0 0 375.472 5.290 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccccc2C)c1 ZINC000408698620 534555029 /nfs/dbraw/zinc/55/50/29/534555029.db2.gz ORXVUMHHZRPTDL-UHFFFAOYSA-N 0 0 382.467 5.112 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccccc2C)c1 ZINC000408697335 534555248 /nfs/dbraw/zinc/55/52/48/534555248.db2.gz JDBVFHCLTPOAJH-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2)c1 ZINC000408698192 534555518 /nfs/dbraw/zinc/55/55/18/534555518.db2.gz LZFWMGINJBIOJG-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(C)c2)c1 ZINC000408698758 534555745 /nfs/dbraw/zinc/55/57/45/534555745.db2.gz PEGYEGMQUVFMBO-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(C)c2)c1 ZINC000408695303 534555885 /nfs/dbraw/zinc/55/58/85/534555885.db2.gz PSDVYLAIARJXGI-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c1 ZINC000057313413 534556539 /nfs/dbraw/zinc/55/65/39/534556539.db2.gz COSVEFQRXRWJDY-UHFFFAOYSA-N 0 0 386.436 5.060 40 0 GKABRN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)c1 ZINC000409104549 534563620 /nfs/dbraw/zinc/56/36/20/534563620.db2.gz JSEOFXDSUWEYBH-UHFFFAOYSA-N 0 0 385.536 5.501 40 0 GKABRN Cc1cccc(-n2c(SCc3ccccc3F)nnc2-c2ccncc2)c1 ZINC000409106575 534564463 /nfs/dbraw/zinc/56/44/63/534564463.db2.gz OCIAPKWKSBNISF-UHFFFAOYSA-N 0 0 376.460 5.069 40 0 GKABRN Cc1cccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c1 ZINC000409100961 534565067 /nfs/dbraw/zinc/56/50/67/534565067.db2.gz XKZQGZLUNIRSRD-UHFFFAOYSA-N 0 0 391.927 6.188 40 0 GKABRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Cl)cc1 ZINC000408527772 534567425 /nfs/dbraw/zinc/56/74/25/534567425.db2.gz COLDVVAQRRVSIN-UHFFFAOYSA-N 0 0 386.838 5.683 40 0 GKABRN O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1Cl ZINC000408691834 534569875 /nfs/dbraw/zinc/56/98/75/534569875.db2.gz SVQDVZXBTPZNMT-UHFFFAOYSA-N 0 0 395.665 5.085 40 0 GKABRN Cc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(C)cc1 ZINC000409204150 534608189 /nfs/dbraw/zinc/60/81/89/534608189.db2.gz CHLBDJRXELAVSM-UHFFFAOYSA-N 0 0 392.524 5.645 40 0 GKABRN Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)c1 ZINC000408835092 534627775 /nfs/dbraw/zinc/62/77/75/534627775.db2.gz WCGMZCCEUAGFLZ-UHFFFAOYSA-N 0 0 398.531 6.655 40 0 GKABRN Clc1ccc(-c2nc(SCc3cccc4ccccc43)n[nH]2)c(Cl)c1 ZINC000408527992 534635038 /nfs/dbraw/zinc/63/50/38/534635038.db2.gz QAWRWOFKHPBBQI-UHFFFAOYSA-N 0 0 386.307 6.224 40 0 GKABRN O=C(COc1ccccc1)c1cn(CCCOc2ccccc2)c2ccccc12 ZINC000006816393 534635076 /nfs/dbraw/zinc/63/50/76/534635076.db2.gz GPBRDRBNIFKNQR-UHFFFAOYSA-N 0 0 385.463 5.372 40 0 GKABRN Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000409108573 534637137 /nfs/dbraw/zinc/63/71/37/534637137.db2.gz VHAGHOGNYNYKBB-UHFFFAOYSA-N 0 0 377.900 5.880 40 0 GKABRN Clc1ccc(COc2cccc(-c3nc4ccccc4s3)c2)cc1Cl ZINC000409189692 534639420 /nfs/dbraw/zinc/63/94/20/534639420.db2.gz NEIIQNAJQIFXLP-UHFFFAOYSA-N 0 0 386.303 6.849 40 0 GKABRN O=C(CSCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409028448 534667851 /nfs/dbraw/zinc/66/78/51/534667851.db2.gz MQNXADXUZHJYIK-UHFFFAOYSA-N 0 0 391.580 6.026 40 0 GKABRN O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCC1 ZINC000408978865 534728709 /nfs/dbraw/zinc/72/87/09/534728709.db2.gz NWIMTOPLAQGSOP-UHFFFAOYSA-N 0 0 391.521 5.323 40 0 GKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)c1 ZINC000408697570 534747291 /nfs/dbraw/zinc/74/72/91/534747291.db2.gz HYINOZHEFRLEFV-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)c1 ZINC000408698790 534747548 /nfs/dbraw/zinc/74/75/48/534747548.db2.gz POBKCXBVLSYSGM-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1C ZINC000408628865 534750172 /nfs/dbraw/zinc/75/01/72/534750172.db2.gz FHTMCFMXHNITSO-UHFFFAOYSA-N 0 0 399.446 5.094 40 0 GKABRN Cc1cccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1C ZINC000006219012 534750738 /nfs/dbraw/zinc/75/07/38/534750738.db2.gz AWKYBJATBJYUJP-UHFFFAOYSA-N 0 0 388.492 5.598 40 0 GKABRN Cc1cccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)c1 ZINC000022072458 534745977 /nfs/dbraw/zinc/74/59/77/534745977.db2.gz DWELMSHLFKWMJJ-UHFFFAOYSA-N 0 0 382.261 5.148 40 0 GKABRN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(F)cc2)c1 ZINC000408600143 534746071 /nfs/dbraw/zinc/74/60/71/534746071.db2.gz VSUFTFSACOKOSW-UHFFFAOYSA-N 0 0 394.471 5.117 40 0 GKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000059477544 534773385 /nfs/dbraw/zinc/77/33/85/534773385.db2.gz KAFAOKOSUAVMQS-NTCAYCPXSA-N 0 0 377.443 6.170 40 0 GKABRN Cc1cccc2c(/C=C3\Sc4ccccc4NC3=O)c(-c3ccccc3)[nH]c21 ZINC000409089972 534777354 /nfs/dbraw/zinc/77/73/54/534777354.db2.gz PMQXRQAOVBBXGP-STZFKDTASA-N 0 0 382.488 6.229 40 0 GKABRN O=C1Nc2ccccc2/C1=C\c1ccc(OCCOc2ccc(Cl)cc2)cc1 ZINC000409206467 534802274 /nfs/dbraw/zinc/80/22/74/534802274.db2.gz JWMZQIOTDTZFIS-RCCKNPSSSA-N 0 0 391.854 5.291 40 0 GKABRN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000409122124 534803164 /nfs/dbraw/zinc/80/31/64/534803164.db2.gz ZJUYZNQBGJFHSV-BOPFTXTBSA-N 0 0 379.818 5.551 40 0 GKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000409097564 534803506 /nfs/dbraw/zinc/80/35/06/534803506.db2.gz MNDZKSFDSBOCLG-BOPFTXTBSA-N 0 0 391.477 5.392 40 0 GKABRN O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409095634 534803639 /nfs/dbraw/zinc/80/36/39/534803639.db2.gz IMPWEFMDWCRRJH-BKUYFWCQSA-N 0 0 393.895 6.004 40 0 GKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409109206 534803734 /nfs/dbraw/zinc/80/37/34/534803734.db2.gz ZNOCYWGUWRMKKC-BKUYFWCQSA-N 0 0 393.895 6.004 40 0 GKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000409111860 534804319 /nfs/dbraw/zinc/80/43/19/534804319.db2.gz CQVZVCUUAQXZLG-BKUYFWCQSA-N 0 0 377.440 5.490 40 0 GKABRN O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000409089103 534804364 /nfs/dbraw/zinc/80/43/64/534804364.db2.gz MYGAWYURDUVSRY-BKUYFWCQSA-N 0 0 377.440 5.490 40 0 GKABRN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1cccc2ccccc21 ZINC000014132017 534822189 /nfs/dbraw/zinc/82/21/89/534822189.db2.gz YLLKLILFFJRLOE-CIAFOILYSA-N 0 0 384.460 5.558 40 0 GKABRN O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1F ZINC000106696979 534823850 /nfs/dbraw/zinc/82/38/50/534823850.db2.gz ZHEAMVZYZGPOQZ-UNOMPAQXSA-N 0 0 379.412 5.322 40 0 GKABRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1 ZINC000106680793 534823862 /nfs/dbraw/zinc/82/38/62/534823862.db2.gz PCWVPGVZGILEHD-UNOMPAQXSA-N 0 0 379.412 5.322 40 0 GKABRN O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 ZINC000409212528 534824047 /nfs/dbraw/zinc/82/40/47/534824047.db2.gz MXOAQSIHQDMXOT-RIYZIHGNSA-N 0 0 383.778 5.600 40 0 GKABRN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(Cl)c1 ZINC000222628659 534824141 /nfs/dbraw/zinc/82/41/41/534824141.db2.gz LEAUYBFXIKNSLU-UHFFFAOYSA-N 0 0 380.919 6.452 40 0 GKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000408637937 534827847 /nfs/dbraw/zinc/82/78/47/534827847.db2.gz AWDPXGTWUGCBDT-CQSZACIVSA-N 0 0 399.277 5.138 40 0 GKABRN Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 ZINC000409107950 534870421 /nfs/dbraw/zinc/87/04/21/534870421.db2.gz YTCLZVFXRIIGRI-UHFFFAOYSA-N 0 0 384.719 5.828 40 0 GKABRN Brc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000409190391 526642741 /nfs/dbraw/zinc/64/27/41/526642741.db2.gz YDPFFTUMGPWMIG-UHFFFAOYSA-N 0 0 396.309 6.305 40 0 GKABRN CC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000408624029 526688652 /nfs/dbraw/zinc/68/86/52/526688652.db2.gz APVFCXYRTMFQPQ-UHFFFAOYSA-N 0 0 396.324 5.103 40 0 GKABRN CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000006219053 526769737 /nfs/dbraw/zinc/76/97/37/526769737.db2.gz VRVVQNARSZCPEM-UHFFFAOYSA-N 0 0 386.520 6.513 40 0 GKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000408912773 526769855 /nfs/dbraw/zinc/76/98/55/526769855.db2.gz RJOLULZDZUHEBV-UHFFFAOYSA-N 0 0 375.537 6.529 40 0 GKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1N1CCCC1 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CC[C@H](NC(=O)[C@H](CC)Oc1ccc2ccccc2c1)c1ccc(OC)cc1 ZINC000020037321 570236625 /nfs/dbraw/zinc/23/66/25/570236625.db2.gz LQAASQBFRUILLW-GOTSBHOMSA-N 0 0 377.484 5.273 40 0 GKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)cc1 ZINC000020038944 570236635 /nfs/dbraw/zinc/23/66/35/570236635.db2.gz IIFZXQUSKACVNL-SFQUDFHCSA-N 0 0 383.491 5.867 40 0 GKABRN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1C ZINC000020036950 570236674 /nfs/dbraw/zinc/23/66/74/570236674.db2.gz CPIZNMUNXWFJAE-LBPRGKRZSA-N 0 0 382.685 5.125 40 0 GKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020041725 570236967 /nfs/dbraw/zinc/23/69/67/570236967.db2.gz JNQNDRDOTKNRCA-HSZRJFAPSA-N 0 0 377.459 5.212 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020044839 570237363 /nfs/dbraw/zinc/23/73/63/570237363.db2.gz CMWATLAPAZTCGX-KRWDZBQOSA-N 0 0 386.706 6.060 40 0 GKABRN COc1ccc([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000020045532 570237423 /nfs/dbraw/zinc/23/74/23/570237423.db2.gz RUHJUTIQAIKUNU-GFCCVEGCSA-N 0 0 384.328 5.113 40 0 GKABRN O=C(Nc1cccc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 ZINC000020046816 570237660 /nfs/dbraw/zinc/23/76/60/570237660.db2.gz UNIVUADNJWOIDT-UHFFFAOYSA-N 0 0 399.515 6.263 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000020047897 570237842 /nfs/dbraw/zinc/23/78/42/570237842.db2.gz CNBPEQACTYTVHQ-VWLOTQADSA-N 0 0 387.523 5.577 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020105668 570239549 /nfs/dbraw/zinc/23/95/49/570239549.db2.gz ABLBQOUNBGLDJV-XMMPIXPASA-N 0 0 389.495 5.082 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccccc1 ZINC000020104116 570239677 /nfs/dbraw/zinc/23/96/77/570239677.db2.gz BUBFNCZRJWFTGF-HTAPYJJXSA-N 0 0 395.955 6.035 40 0 GKABRN CC[C@H](Oc1ccccc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020107132 570240024 /nfs/dbraw/zinc/24/00/24/570240024.db2.gz BAMFSGKNUIKNQO-FQEVSTJZSA-N 0 0 379.887 5.403 40 0 GKABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](CC)Oc2cccc3ccccc32)c1 ZINC000020106350 570240059 /nfs/dbraw/zinc/24/00/59/570240059.db2.gz NZTVCODWCAQCFJ-OAQYLSRUSA-N 0 0 391.467 5.121 40 0 GKABRN Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1C ZINC000020107478 570240075 /nfs/dbraw/zinc/24/00/75/570240075.db2.gz QMJJYWDAOSERCN-GOSISDBHSA-N 0 0 377.509 5.861 40 0 GKABRN Cc1nccn1-c1ccccc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000020108405 570240272 /nfs/dbraw/zinc/24/02/72/570240272.db2.gz XAINIDNRLLGJCR-UHFFFAOYSA-N 0 0 395.506 5.019 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 ZINC000020110410 570240715 /nfs/dbraw/zinc/24/07/15/570240715.db2.gz SLKZNPBRQONQFS-XMMPIXPASA-N 0 0 393.914 5.713 40 0 GKABRN Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1-c1ccc(CO)o1 ZINC000020137073 570241883 /nfs/dbraw/zinc/24/18/83/570241883.db2.gz PHKWPTSLZSYWLL-UHFFFAOYSA-N 0 0 397.474 5.518 40 0 GKABRN Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1-c1ccc(CO)o1 ZINC000020139017 570242319 /nfs/dbraw/zinc/24/23/19/570242319.db2.gz QQSPKWNTANVGIQ-UHFFFAOYSA-N 0 0 391.854 5.806 40 0 GKABRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000020138620 570242409 /nfs/dbraw/zinc/24/24/09/570242409.db2.gz NEOAHWPYPWFXQC-UHFFFAOYSA-N 0 0 396.657 5.651 40 0 GKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2ccccc2c1 ZINC000020139140 570242451 /nfs/dbraw/zinc/24/24/51/570242451.db2.gz LLOHYYHXUPXECD-UHFFFAOYSA-N 0 0 377.827 5.498 40 0 GKABRN Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1ccc(CO)o1 ZINC000020139527 570242484 /nfs/dbraw/zinc/24/24/84/570242484.db2.gz RLJXKQQYXBIVIY-UHFFFAOYSA-N 0 0 397.883 5.868 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl ZINC000020139367 570242517 /nfs/dbraw/zinc/24/25/17/570242517.db2.gz OGJMFKCRETYUNQ-UHFFFAOYSA-N 0 0 376.239 5.306 40 0 GKABRN CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 ZINC000020141492 570242662 /nfs/dbraw/zinc/24/26/62/570242662.db2.gz CPMFPGZZYGAGTQ-UHFFFAOYSA-N 0 0 385.847 5.133 40 0 GKABRN CCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020141743 570243005 /nfs/dbraw/zinc/24/30/05/570243005.db2.gz MSZWVDGACWYFTB-UHFFFAOYSA-N 0 0 385.847 5.133 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020141809 570243020 /nfs/dbraw/zinc/24/30/20/570243020.db2.gz NEGWOLPIONBTSO-UHFFFAOYSA-N 0 0 399.874 5.524 40 0 GKABRN CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 ZINC000020142236 570243309 /nfs/dbraw/zinc/24/33/09/570243309.db2.gz RIVHWLLXDLZJJJ-INIZCTEOSA-N 0 0 379.456 5.177 40 0 GKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1ccc(CO)o1 ZINC000020145300 570243616 /nfs/dbraw/zinc/24/36/16/570243616.db2.gz ZMZNUTPYUXAAGB-GXDHUFHOSA-N 0 0 399.446 5.659 40 0 GKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020145078 570243710 /nfs/dbraw/zinc/24/37/10/570243710.db2.gz ZUQSSZRVUZLAQG-XCVCLJGOSA-N 0 0 388.250 5.398 40 0 GKABRN COC(=O)Nc1cccc([C@@H]2O[C@H]3CCCC[C@@H]3c3c(OC)ccc(OC)c32)c1 ZINC000020247787 570250151 /nfs/dbraw/zinc/25/01/51/570250151.db2.gz DOEBEJCROPHLHA-HOIFWPIMSA-N 0 0 397.471 5.028 40 0 GKABRN Cc1ccccc1COc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1 ZINC000020418638 570255101 /nfs/dbraw/zinc/25/51/01/570255101.db2.gz WDLZZWKYPCFKKT-LPYMAVHISA-N 0 0 387.410 5.058 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccccc1 ZINC000020452255 570257858 /nfs/dbraw/zinc/25/78/58/570257858.db2.gz TUWCKHHIJRTTNO-HTAPYJJXSA-N 0 0 379.887 5.322 40 0 GKABRN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1ccccc1C(F)(F)F ZINC000017079603 570258138 /nfs/dbraw/zinc/25/81/38/570258138.db2.gz MFURCQXVQXIVBK-UHFFFAOYSA-N 0 0 390.409 5.119 40 0 GKABRN COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020453629 570258311 /nfs/dbraw/zinc/25/83/11/570258311.db2.gz YVMMRBVWLQAVHP-SECBINFHSA-N 0 0 390.719 5.775 40 0 GKABRN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020454102 570258316 /nfs/dbraw/zinc/25/83/16/570258316.db2.gz AMBHPIFCLDETTH-FQEVSTJZSA-N 0 0 384.523 5.000 40 0 GKABRN CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000020454590 570258586 /nfs/dbraw/zinc/25/85/86/570258586.db2.gz AHDDJWRMAJAGGE-QRWLVFNGSA-N 0 0 389.992 6.386 40 0 GKABRN O=C(CSCc1ccc(Cl)c(Cl)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000020454942 570258788 /nfs/dbraw/zinc/25/87/88/570258788.db2.gz KAOKAIGRYIBFMI-UHFFFAOYSA-N 0 0 384.372 5.312 40 0 GKABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000020456456 570259071 /nfs/dbraw/zinc/25/90/71/570259071.db2.gz ULZUVVLCPWYIQN-QHCPKHFHSA-N 0 0 391.536 6.083 40 0 GKABRN CC(C)C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000020456107 570259195 /nfs/dbraw/zinc/25/91/95/570259195.db2.gz QQSYBKDUILGEQA-QHCPKHFHSA-N 0 0 395.524 5.545 40 0 GKABRN CC(C)C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000020456106 570259215 /nfs/dbraw/zinc/25/92/15/570259215.db2.gz QQSYBKDUILGEQA-HSZRJFAPSA-N 0 0 395.524 5.545 40 0 GKABRN CC(C)Oc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000020457439 570259499 /nfs/dbraw/zinc/25/94/99/570259499.db2.gz ZYZULKYBQJGXAV-UHFFFAOYSA-N 0 0 383.469 5.067 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020457997 570259529 /nfs/dbraw/zinc/25/95/29/570259529.db2.gz QSLFNAJLDHUKBB-DQEYMECFSA-N 0 0 387.523 5.675 40 0 GKABRN CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)cc1 ZINC000020459710 570260378 /nfs/dbraw/zinc/26/03/78/570260378.db2.gz OWXRAGPHTLHKMS-OAQYLSRUSA-N 0 0 383.488 5.056 40 0 GKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccccc2Cl)c2ccccc2)cc1 ZINC000020459267 570260420 /nfs/dbraw/zinc/26/04/20/570260420.db2.gz KEVFROCSUJSJEM-HTAPYJJXSA-N 0 0 379.887 5.322 40 0 GKABRN CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000020461201 570260589 /nfs/dbraw/zinc/26/05/89/570260589.db2.gz QTNWVGPIQVFPJV-UHFFFAOYSA-N 0 0 398.550 6.017 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000020460525 570260614 /nfs/dbraw/zinc/26/06/14/570260614.db2.gz ALHWQJSBHKARSV-IBGZPJMESA-N 0 0 399.874 5.307 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000020460524 570260663 /nfs/dbraw/zinc/26/06/63/570260663.db2.gz ALHWQJSBHKARSV-LJQANCHMSA-N 0 0 399.874 5.307 40 0 GKABRN Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)c3ccco3)cc2c1 ZINC000001367678 570261255 /nfs/dbraw/zinc/26/12/55/570261255.db2.gz XTIZZWQGHZFOGV-UHFFFAOYSA-N 0 0 396.899 5.694 40 0 GKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1OC ZINC000020481599 570261497 /nfs/dbraw/zinc/26/14/97/570261497.db2.gz LURJAVSRPNWUME-VQIMIIECSA-N 0 0 387.545 5.088 40 0 GKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000020482613 570261664 /nfs/dbraw/zinc/26/16/64/570261664.db2.gz MKKIYEHSIYFAIS-IBGZPJMESA-N 0 0 391.964 5.164 40 0 GKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020481848 570261772 /nfs/dbraw/zinc/26/17/72/570261772.db2.gz WICGMENUSKDZQJ-RPWUZVMVSA-N 0 0 389.495 5.067 40 0 GKABRN Cc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000020483359 570262143 /nfs/dbraw/zinc/26/21/43/570262143.db2.gz DRXVOQIMKXFBKV-WMZHIEFXSA-N 0 0 375.537 5.690 40 0 GKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000020489089 570262747 /nfs/dbraw/zinc/26/27/47/570262747.db2.gz VSDDACTZLQUIJS-HZPDHXFCSA-N 0 0 375.896 5.000 40 0 GKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Br)cc1F ZINC000020491610 570263014 /nfs/dbraw/zinc/26/30/14/570263014.db2.gz JKFUGKMJYDYGFT-INIZCTEOSA-N 0 0 380.257 5.001 40 0 GKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000020490748 570263098 /nfs/dbraw/zinc/26/30/98/570263098.db2.gz TXEIPCOLBXPNAW-MRXNPFEDSA-N 0 0 388.747 5.834 40 0 GKABRN Cc1cccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 ZINC000020493497 570263317 /nfs/dbraw/zinc/26/33/17/570263317.db2.gz ICKHHFNBDJWYLQ-UHFFFAOYSA-N 0 0 382.356 5.284 40 0 GKABRN Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000020493742 570263331 /nfs/dbraw/zinc/26/33/31/570263331.db2.gz ATJSBOTWLJCFAS-MRXNPFEDSA-N 0 0 381.859 5.847 40 0 GKABRN O=S(=O)(Nc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 ZINC000020493054 570263343 /nfs/dbraw/zinc/26/33/43/570263343.db2.gz PCYSXDUAGNHPKZ-UHFFFAOYSA-N 0 0 394.279 5.587 40 0 GKABRN CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000020493765 570263473 /nfs/dbraw/zinc/26/34/73/570263473.db2.gz FZVUWDYFJSOSEV-LLVKDONJSA-N 0 0 382.685 5.071 40 0 GKABRN O=C(NCc1ccccc1-n1ccnc1)c1ccccc1SCc1ccccc1 ZINC000020494373 570263741 /nfs/dbraw/zinc/26/37/41/570263741.db2.gz MAEPIVNMFRNCDB-UHFFFAOYSA-N 0 0 399.519 5.095 40 0 GKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(OC(C)C)c1 ZINC000020495782 570264061 /nfs/dbraw/zinc/26/40/61/570264061.db2.gz XSVQKZAYZPXBLV-QFIPXVFZSA-N 0 0 377.484 5.101 40 0 GKABRN COc1cc2ccc(-c3ccc(Cl)cc3)nc2c(N[C@@H]2CCCC[C@H]2O)c1 ZINC000001555730 570264473 /nfs/dbraw/zinc/26/44/73/570264473.db2.gz CGOLNLWHMQSTSZ-TZIWHRDSSA-N 0 0 382.891 5.279 40 0 GKABRN Fc1ccc(N[C@H](c2nnc(-c3ccccc3F)o2)c2ccccc2)c(F)c1 ZINC000020509739 570264833 /nfs/dbraw/zinc/26/48/33/570264833.db2.gz JSJYWIPLQMQXJD-IBGZPJMESA-N 0 0 381.357 5.355 40 0 GKABRN Cc1nc2ccccc2nc1C[C@](O)(c1ccccc1)c1cccc2ccccc21 ZINC000001562860 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VBCRUAVALHDWRH-ROUUACIJSA-N 0 0 375.896 5.082 40 0 GKABRN CC[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000223072366 570441482 /nfs/dbraw/zinc/44/14/82/570441482.db2.gz WJXWRPWSOKLZFX-KOSHJBKYSA-N 0 0 393.571 5.898 40 0 GKABRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223073548 570441726 /nfs/dbraw/zinc/44/17/26/570441726.db2.gz WJDUQHBTVHAWIH-VGSWGCGISA-N 0 0 399.962 5.870 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 ZINC000223085591 570442043 /nfs/dbraw/zinc/44/20/43/570442043.db2.gz MRGCDBOXEGMZTL-BVZFJXPGSA-N 0 0 387.523 5.753 40 0 GKABRN CC[C@H](NC(=O)[C@@H](C)Oc1cccc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000223085735 570442107 /nfs/dbraw/zinc/44/21/07/570442107.db2.gz TVQVQHBGPMHEJJ-KOSHJBKYSA-N 0 0 387.523 5.753 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1OCC ZINC000223094369 570442766 /nfs/dbraw/zinc/44/27/66/570442766.db2.gz JRXRDRYUAZCTFG-SFHVURJKSA-N 0 0 381.516 5.173 40 0 GKABRN CC(C(=O)Nc1ccc(Cc2ccncc2)cc1)(c1ccccc1)c1ccccc1 ZINC000005498814 570443167 /nfs/dbraw/zinc/44/31/67/570443167.db2.gz AVBDAVKMDCVOHY-UHFFFAOYSA-N 0 0 392.502 5.617 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccccc1C(C)C)c1ccc2c(c1)CCCC2 ZINC000223096594 570443271 /nfs/dbraw/zinc/44/32/71/570443271.db2.gz KQKDEOZACBRYNY-MBSDFSHPSA-N 0 0 379.544 5.724 40 0 GKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1cc(C)ccc1C)c1ccc2c(c1)CCCC2 ZINC000223099870 570443664 /nfs/dbraw/zinc/44/36/64/570443664.db2.gz LNZOHSUNBUFELK-PKTZIBPZSA-N 0 0 379.544 5.607 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2O1 ZINC000223103418 570443747 /nfs/dbraw/zinc/44/37/47/570443747.db2.gz BTMZLZISRUVFIL-NRFANRHFSA-N 0 0 395.543 5.696 40 0 GKABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 ZINC000223107275 570444053 /nfs/dbraw/zinc/44/40/53/570444053.db2.gz WCPMQJNVHPJBQG-FGZHOGPDSA-N 0 0 385.935 5.644 40 0 GKABRN S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1C1CCCCC1 ZINC000223119680 570444593 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570541331 /nfs/dbraw/zinc/54/13/31/570541331.db2.gz MHWXERQAZIYUTF-UHFFFAOYSA-N 0 0 377.315 5.555 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2O1 ZINC000224983963 570541429 /nfs/dbraw/zinc/54/14/29/570541429.db2.gz YTYZXGFSQQIEDV-XMMPIXPASA-N 0 0 399.534 6.095 40 0 GKABRN O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1cccc2ccccc21 ZINC000224981596 570541496 /nfs/dbraw/zinc/54/14/96/570541496.db2.gz AHQSAKYTGUKERW-UHFFFAOYSA-N 0 0 379.503 5.798 40 0 GKABRN CC(C)Oc1ccc(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000224990604 570541779 /nfs/dbraw/zinc/54/17/79/570541779.db2.gz ZAJMBTCYQTWGED-UHFFFAOYSA-N 0 0 389.923 5.034 40 0 GKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000224990354 570541884 /nfs/dbraw/zinc/54/18/84/570541884.db2.gz AABIPCQLYYHHDH-UHFFFAOYSA-N 0 0 393.870 5.367 40 0 GKABRN Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccco3)n2)cc1 ZINC000000932682 570541976 /nfs/dbraw/zinc/54/19/76/570541976.db2.gz NYVFFIDGJWNMFX-UHFFFAOYSA-N 0 0 388.492 5.601 40 0 GKABRN 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Cc1ccc(C)c(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)c1 ZINC000225054664 570545755 /nfs/dbraw/zinc/54/57/55/570545755.db2.gz SAPAGYKQCAXSIM-UHFFFAOYSA-N 0 0 389.933 5.353 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)c1 ZINC000225067864 570546542 /nfs/dbraw/zinc/54/65/42/570546542.db2.gz RBHPSSXHFTURGI-CYBMUJFWSA-N 0 0 394.284 5.426 40 0 GKABRN CCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1OCC ZINC000225067950 570546576 /nfs/dbraw/zinc/54/65/76/570546576.db2.gz OKFWRAHTSJTDHY-LJQANCHMSA-N 0 0 397.515 5.296 40 0 GKABRN CC[C@H](NC(=O)c1cc(Br)ccc1Cl)c1ccc(OC)c(C)c1 ZINC000225076779 570547370 /nfs/dbraw/zinc/54/73/70/570547370.db2.gz KABCAIKYMCLFJJ-INIZCTEOSA-N 0 0 396.712 5.301 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(Br)cc2)c2ccccc2O1 ZINC000225085203 570547880 /nfs/dbraw/zinc/54/78/80/570547880.db2.gz CIUOLEPSUPSDFL-KRWDZBQOSA-N 0 0 388.305 5.262 40 0 GKABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000225132011 570551349 /nfs/dbraw/zinc/55/13/49/570551349.db2.gz 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CCc1nc2ccc(NC(=S)N[C@H](C)c3ccc(Cl)cc3)cc2s1 ZINC000225208436 570556467 /nfs/dbraw/zinc/55/64/67/570556467.db2.gz XYPIRKOQGAOFDT-LLVKDONJSA-N 0 0 375.950 5.560 40 0 GKABRN COc1ccc(-n2ncc3c2ncnc3N(c2ccccc2)c2ccccc2)cc1 ZINC000035681995 570557435 /nfs/dbraw/zinc/55/74/35/570557435.db2.gz OFIHEAQODMOOOX-UHFFFAOYSA-N 0 0 393.450 5.294 40 0 GKABRN CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@](C)(CNC(=O)c3cccs3)[C@@H]1CC2 ZINC000035741602 570557695 /nfs/dbraw/zinc/55/76/95/570557695.db2.gz YMWCSEMEDTZXQU-ICDZXHCJSA-N 0 0 395.612 6.312 40 0 GKABRN Cc1ccc2c(c1)NC(=O)/C(=C1/Sc3ccccc3NC1=O)[C@H]2c1ccccc1 ZINC000035775224 570557751 /nfs/dbraw/zinc/55/77/51/570557751.db2.gz VRBUCQSVBFTXEF-VSRNGQBXSA-N 0 0 398.487 5.078 40 0 GKABRN CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)c(C)c1 ZINC000225242383 570558906 /nfs/dbraw/zinc/55/89/06/570558906.db2.gz OEPWFDKGOYDXMV-DEOSSOPVSA-N 0 0 387.523 5.670 40 0 GKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc2c1CCCC2 ZINC000225246984 570558963 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570560463 /nfs/dbraw/zinc/56/04/63/570560463.db2.gz BXCNQXGJKGSGNR-UHFFFAOYSA-N 0 0 389.886 6.259 40 0 GKABRN CCc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 ZINC000225266149 570560558 /nfs/dbraw/zinc/56/05/58/570560558.db2.gz FKLZNLJJXGXRFR-UHFFFAOYSA-N 0 0 375.859 5.698 40 0 GKABRN COc1cccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 ZINC000225267082 570560793 /nfs/dbraw/zinc/56/07/93/570560793.db2.gz HCFOTSXJMUFAIW-UHFFFAOYSA-N 0 0 377.831 5.144 40 0 GKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CCCC3)c2)cc1 ZINC000225278039 570561226 /nfs/dbraw/zinc/56/12/26/570561226.db2.gz CZRQIVUSSHTDBR-UHFFFAOYSA-N 0 0 380.557 5.444 40 0 GKABRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc2ccccc21 ZINC000036664539 570561254 /nfs/dbraw/zinc/56/12/54/570561254.db2.gz QFAKXBKRHAQIDC-UHFFFAOYSA-N 0 0 395.871 5.274 40 0 GKABRN C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 ZINC000225280542 570561492 /nfs/dbraw/zinc/56/14/92/570561492.db2.gz NPLNPCXHXHYCMU-KRWDZBQOSA-N 0 0 378.566 6.027 40 0 GKABRN 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CCc1nc2sc(C)c(C)c2c(SCC(=O)c2c[nH]c3ccccc32)n1 ZINC000001372114 570574869 /nfs/dbraw/zinc/57/48/69/570574869.db2.gz ZXHNPQJAGSHKGX-UHFFFAOYSA-N 0 0 381.526 5.327 40 0 GKABRN Nc1cc(C(=O)N2CCCC2)ccc1Nc1ccccc1Sc1ccccc1 ZINC000225447305 570574934 /nfs/dbraw/zinc/57/49/34/570574934.db2.gz VDNHTJQTDKAYEG-UHFFFAOYSA-N 0 0 389.524 5.400 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000225447190 570574972 /nfs/dbraw/zinc/57/49/72/570574972.db2.gz KOSAZIXEZHFIQV-NHCUHLMSSA-N 0 0 381.516 5.351 40 0 GKABRN CC(C)OC(=O)c1ccc(Nc2ccccc2Sc2ccccc2)c(N)c1 ZINC000225446891 570574980 /nfs/dbraw/zinc/57/49/80/570574980.db2.gz LXGRHBXLKISGNS-UHFFFAOYSA-N 0 0 378.497 5.729 40 0 GKABRN c1ccc(C2=C[C@H]3[C@H](C=C(c4ccccc4)[C@H]4CCCC[C@H]34)c3ccccc32)cc1 ZINC000071785423 570576061 /nfs/dbraw/zinc/57/60/61/570576061.db2.gz IUIOSELIDULZPF-RQMUNXDHSA-N 0 0 388.554 7.735 40 0 GKABRN Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=O)Nc2cccc(C)c2)cc1 ZINC000001360557 570576126 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Cc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000014398499 570883614 /nfs/dbraw/zinc/88/36/14/570883614.db2.gz FQDDADUEYOEJOH-UHFFFAOYSA-N 0 0 391.536 6.085 40 0 GKABRN Cc1ccccc1CSCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000014398542 570883621 /nfs/dbraw/zinc/88/36/21/570883621.db2.gz RHYZCNBURATKKZ-KRWDZBQOSA-N 0 0 391.964 5.082 40 0 GKABRN Cc1cc(C)cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000014398314 570883624 /nfs/dbraw/zinc/88/36/24/570883624.db2.gz RWMIJHAOWOJVTM-UHFFFAOYSA-N 0 0 398.355 5.039 40 0 GKABRN Cc1cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Br ZINC000014399856 570884492 /nfs/dbraw/zinc/88/44/92/570884492.db2.gz MTQCXBUFJZMVFR-ZDUSSCGKSA-N 0 0 396.712 5.434 40 0 GKABRN O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615381 570886192 /nfs/dbraw/zinc/88/61/92/570886192.db2.gz URFHSPOSYSVURK-HXUWFJFHSA-N 0 0 394.833 5.278 40 0 GKABRN O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1F ZINC000214341167 570886232 /nfs/dbraw/zinc/88/62/32/570886232.db2.gz 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570893994 /nfs/dbraw/zinc/89/39/94/570893994.db2.gz YFVFSTGGMZOBHW-UHFFFAOYSA-N 0 0 376.294 5.497 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000014649197 570894023 /nfs/dbraw/zinc/89/40/23/570894023.db2.gz PQMJUDWDYQIEBF-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN COc1ccc(C2(Cl)c3ccccc3N(c3ccccc3)c3ccccc32)cc1 ZINC000004367286 570896308 /nfs/dbraw/zinc/89/63/08/570896308.db2.gz JFGXQMZJWOMCOV-UHFFFAOYSA-N 0 0 397.905 7.009 40 0 GKABRN CCn1c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014776267 570896922 /nfs/dbraw/zinc/89/69/22/570896922.db2.gz FNHBSRJYRIFSRO-UHFFFAOYSA-N 0 0 380.300 5.094 40 0 GKABRN O=C(Nc1ccc(Br)cc1)c1cccc(OCc2ccccc2)c1 ZINC000014796019 570897474 /nfs/dbraw/zinc/89/74/74/570897474.db2.gz ISBDVUJGOFCBQF-UHFFFAOYSA-N 0 0 382.257 5.280 40 0 GKABRN O=C(Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl ZINC000014785323 570897992 /nfs/dbraw/zinc/89/79/92/570897992.db2.gz GRLBKRJUGONWRE-UHFFFAOYSA-N 0 0 379.468 5.662 40 0 GKABRN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014784327 570898176 /nfs/dbraw/zinc/89/81/76/570898176.db2.gz MKNCPZJQMYAERK-UHFFFAOYSA-N 0 0 375.049 5.017 40 0 GKABRN O=C1Oc2ccccc2[C@@H]2c3sc(=S)[nH]c3S[C@@H](c3ccccc3)[C@H]12 ZINC000001470485 570899420 /nfs/dbraw/zinc/89/94/20/570899420.db2.gz AIIFVNODFJULBJ-ZNMIVQPWSA-N 0 0 383.519 5.320 40 0 GKABRN c1ccc2c(c1)oc1ccc([C@H]3O[C@@H]4CCCC[C@@H]4c4cc5c(cc43)OCO5)cc12 ZINC000103032791 570902539 /nfs/dbraw/zinc/90/25/39/570902539.db2.gz HYOKLNPNENTUES-DPJCOKGPSA-N 0 0 398.458 6.461 40 0 GKABRN COc1ccc(-c2csc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000015318782 570904612 /nfs/dbraw/zinc/90/46/12/570904612.db2.gz JPDOXXRDNKFAPH-UHFFFAOYSA-N 0 0 396.512 5.134 40 0 GKABRN Cc1ccc(C)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000015318416 570904632 /nfs/dbraw/zinc/90/46/32/570904632.db2.gz AKVADYGNGSUYAN-UHFFFAOYSA-N 0 0 381.928 6.501 40 0 GKABRN CCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000015389354 570905428 /nfs/dbraw/zinc/90/54/28/570905428.db2.gz HPTUQHKYIFJEOO-UHFFFAOYSA-N 0 0 398.684 5.071 40 0 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570918122 /nfs/dbraw/zinc/91/81/22/570918122.db2.gz IECSFAMAOUZENS-UHFFFAOYSA-N 0 0 387.719 5.390 40 0 GKABRN O=C(COc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017080736 570918398 /nfs/dbraw/zinc/91/83/98/570918398.db2.gz YBLUINNJRKCRLV-UHFFFAOYSA-N 0 0 394.883 5.634 40 0 GKABRN FC(F)(F)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1 ZINC000017079824 570918405 /nfs/dbraw/zinc/91/84/05/570918405.db2.gz CNLWGVCIRXTVCN-UHFFFAOYSA-N 0 0 390.883 5.438 40 0 GKABRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000017081650 570919461 /nfs/dbraw/zinc/91/94/61/570919461.db2.gz GOAPQKUMXIBLKN-UHFFFAOYSA-N 0 0 399.302 6.522 40 0 GKABRN Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c1 ZINC000017081530 570919488 /nfs/dbraw/zinc/91/94/88/570919488.db2.gz UBDFRJKVKXMZAG-UHFFFAOYSA-N 0 0 398.506 6.796 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000118918452 570920795 /nfs/dbraw/zinc/92/07/95/570920795.db2.gz BGSWILYBWIQYKQ-AMKJHPCNSA-N 0 0 394.555 5.536 40 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O=C([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401608 570923950 /nfs/dbraw/zinc/92/39/50/570923950.db2.gz CTOCRHMCMZWBFR-UHFFFAOYSA-N 0 0 399.849 5.046 40 0 GKABRN O=C(NCc1nc2ccccc2n1Cc1cccc2ccccc21)c1ccccc1 ZINC000005235865 570924645 /nfs/dbraw/zinc/92/46/45/570924645.db2.gz RZGWYENJRWTWRO-UHFFFAOYSA-N 0 0 391.474 5.168 40 0 GKABRN O=C(Nc1ccccc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000016489460 570925998 /nfs/dbraw/zinc/92/59/98/570925998.db2.gz PQZWXXBRFCIQSR-UHFFFAOYSA-N 0 0 386.398 6.540 40 0 GKABRN O=C(c1ccccc1)[C@H](Sc1nc2ccccc2s1)c1ccc(Cl)cc1 ZINC000016476471 570926021 /nfs/dbraw/zinc/92/60/21/570926021.db2.gz ZUQYGVUXMFMIJY-HXUWFJFHSA-N 0 0 395.936 6.666 40 0 GKABRN Fc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2)cc1Cl ZINC000016480585 570926136 /nfs/dbraw/zinc/92/61/36/570926136.db2.gz IHNYCRAJJMEMMO-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Cc1cc2nc(-c3ccccc3Br)oc2c(Br)c1C ZINC000020156779 570930198 /nfs/dbraw/zinc/93/01/98/570930198.db2.gz YWLQMSKXFOYDBF-UHFFFAOYSA-N 0 0 381.067 5.637 40 0 GKABRN CCOC(=O)c1ccc(NCc2nc3ccccc3nc2-c2ccccc2)cc1 ZINC000016687877 570930850 /nfs/dbraw/zinc/93/08/50/570930850.db2.gz PDTXEFQQGCMQMJ-UHFFFAOYSA-N 0 0 383.451 5.086 40 0 GKABRN CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081677 570931595 /nfs/dbraw/zinc/93/15/95/570931595.db2.gz OWYXOXZSAKVGHJ-HELBUPLJSA-N 0 0 396.659 7.619 40 0 biogenic GKABRN CCN(C(=O)c1sc2nc(-c3ccccc3)cn2c1C)c1cccc(C)c1 ZINC000016740403 570932189 /nfs/dbraw/zinc/93/21/89/570932189.db2.gz QEPSWYKJXUOWEF-UHFFFAOYSA-N 0 0 375.497 5.346 40 0 GKABRN CC(C)c1cc(C(C)C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C(C)C)c1 ZINC000016780249 570933531 /nfs/dbraw/zinc/93/35/31/570933531.db2.gz PDUUSNUMPKZDKE-GOSISDBHSA-N 0 0 399.600 6.197 40 0 GKABRN Clc1cccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccccc2)c1 ZINC000016789185 570933575 /nfs/dbraw/zinc/93/35/75/570933575.db2.gz PHXVGKHVOIRIKJ-SFHVURJKSA-N 0 0 385.920 5.249 40 0 GKABRN Cc1ccc(S[C@@H]2CSc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 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CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000106698257 528657295 /nfs/dbraw/zinc/65/72/95/528657295.db2.gz STINSBSFWSKJTA-UYRXBGFRSA-N 0 0 385.460 5.241 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 ZINC000409051291 528668601 /nfs/dbraw/zinc/66/86/01/528668601.db2.gz BOAVYGFWKWIPOZ-UHFFFAOYSA-N 0 0 384.476 5.689 40 0 GKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 ZINC000408586295 528677110 /nfs/dbraw/zinc/67/71/10/528677110.db2.gz MQTRGPVRWAFCBE-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN CCCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br ZINC000106964822 528690902 /nfs/dbraw/zinc/69/09/02/528690902.db2.gz XXYVCCCGBNGVKO-UHFFFAOYSA-N 0 0 389.120 6.157 40 0 GKABRN CCCOc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408553814 528696721 /nfs/dbraw/zinc/69/67/21/528696721.db2.gz BIILQCSAAQCLKG-GOSISDBHSA-N 0 0 382.312 5.561 40 0 GKABRN CCCCSC1=N[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000408988149 528730311 /nfs/dbraw/zinc/73/03/11/528730311.db2.gz HFFHMEAUJAVQQS-FQEVSTJZSA-N 0 0 379.529 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ZINC000020459265 570260324 /nfs/dbraw/zinc/26/03/24/570260324.db2.gz KEVFROCSUJSJEM-VGOFRKELSA-N 0 0 379.887 5.322 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(OC(C)C)cc1 ZINC000020460611 570260677 /nfs/dbraw/zinc/26/06/77/570260677.db2.gz MBJDCWAANWQJTN-JOCHJYFZSA-N 0 0 377.484 5.101 40 0 GKABRN CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1 ZINC000020481781 570261702 /nfs/dbraw/zinc/26/17/02/570261702.db2.gz YPMMRLCNHNUNKM-SFHVURJKSA-N 0 0 382.356 5.803 40 0 GKABRN Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)C3CCC3)cc2c1 ZINC000001364795 570261252 /nfs/dbraw/zinc/26/12/52/570261252.db2.gz QBEKAAIWIFJWTR-UHFFFAOYSA-N 0 0 382.891 5.427 40 0 GKABRN CC[C@H](Oc1ccccc1Cl)C(=O)NCCSc1ccc(Cl)cc1 ZINC000020481680 570261424 /nfs/dbraw/zinc/26/14/24/570261424.db2.gz SMXCWXMRWMXAPH-INIZCTEOSA-N 0 0 384.328 5.059 40 0 GKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000020481111 570261427 /nfs/dbraw/zinc/26/14/27/570261427.db2.gz FWTIYYADDJTDRB-BWKNWUBXSA-N 0 0 387.523 5.593 40 0 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ZINC000022072553 570304613 /nfs/dbraw/zinc/30/46/13/570304613.db2.gz LFMRUPOCJYBUSQ-UHFFFAOYSA-N 0 0 388.254 5.393 40 0 GKABRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc2c(Cl)cccc12 ZINC000021577861 570304881 /nfs/dbraw/zinc/30/48/81/570304881.db2.gz NXMBLVVEPBVQOB-UHFFFAOYSA-N 0 0 382.866 5.875 40 0 GKABRN Clc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(Br)cc1 ZINC000575414997 570305810 /nfs/dbraw/zinc/30/58/10/570305810.db2.gz DUXVSBYCJQUPIU-UHFFFAOYSA-N 0 0 383.676 6.108 40 0 GKABRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C(C)C)cc1 ZINC000021580254 570306356 /nfs/dbraw/zinc/30/63/56/570306356.db2.gz FKYHDKZKMOTPRJ-UHFFFAOYSA-N 0 0 385.467 5.614 40 0 GKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2ccc(Cl)cc2s1 ZINC000021595249 570306633 /nfs/dbraw/zinc/30/66/33/570306633.db2.gz DIPIUIXTRMCIGC-DHZHZOJOSA-N 0 0 380.856 5.862 40 0 GKABRN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 ZINC000021595758 570306954 /nfs/dbraw/zinc/30/69/54/570306954.db2.gz XVERIJSBTYICAH-UHFFFAOYSA-N 0 0 397.261 6.362 40 0 GKABRN CCN(CC)c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000021595733 570306994 /nfs/dbraw/zinc/30/69/94/570306994.db2.gz GFFSKFHMIQMZHK-UHFFFAOYSA-N 0 0 396.575 5.935 40 0 GKABRN CC[C@@H](C)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021596124 570307206 /nfs/dbraw/zinc/30/72/06/570307206.db2.gz SFPHWFJRCUAZFL-CQSZACIVSA-N 0 0 390.321 5.759 40 0 GKABRN CCCCc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 ZINC000021595850 570307280 /nfs/dbraw/zinc/30/72/80/570307280.db2.gz VUCCRTRLZMHJMF-UHFFFAOYSA-N 0 0 390.321 5.588 40 0 GKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000021596043 570307292 /nfs/dbraw/zinc/30/72/92/570307292.db2.gz DXMKEUNKKBLRTM-UHFFFAOYSA-N 0 0 390.321 5.543 40 0 GKABRN CC(C)(C)c1ccc(OC(C)(C)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000021596130 570307418 /nfs/dbraw/zinc/30/74/18/570307418.db2.gz DRGCVOGVSOPEKX-UHFFFAOYSA-N 0 0 379.422 5.799 40 0 GKABRN CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(Cl)cc2Cl)c1 ZINC000216899030 570309095 /nfs/dbraw/zinc/30/90/95/570309095.db2.gz SSWDNEUNUBBCSZ-WEVVVXLNSA-N 0 0 381.255 5.157 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022237754 570309833 /nfs/dbraw/zinc/30/98/33/570309833.db2.gz BIGHESPMHOYZMI-UHFFFAOYSA-N 0 0 391.418 5.491 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000022245860 570310171 /nfs/dbraw/zinc/31/01/71/570310171.db2.gz QVNZZYNTNUJPAJ-UHFFFAOYSA-N 0 0 395.381 5.605 40 0 GKABRN CCCCc1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 ZINC000022245473 570310208 /nfs/dbraw/zinc/31/02/08/570310208.db2.gz BWEKNAYQHAWZKM-UHFFFAOYSA-N 0 0 379.529 5.814 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000022246146 570310587 /nfs/dbraw/zinc/31/05/87/570310587.db2.gz QMHIWWAKDJGISU-GOSISDBHSA-N 0 0 381.476 5.142 40 0 GKABRN CC(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258024 570311290 /nfs/dbraw/zinc/31/12/90/570311290.db2.gz DZIXCIGFQVNAAA-UHFFFAOYSA-N 0 0 379.887 6.295 40 0 GKABRN CC[C@@H](C)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258531 570311607 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383.532 5.389 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1C(C)C ZINC000223351386 570460824 /nfs/dbraw/zinc/46/08/24/570460824.db2.gz UQASXTLDYQFEFZ-RTBURBONSA-N 0 0 383.532 5.389 40 0 GKABRN O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc2ccccc2c1 ZINC000005900333 570461202 /nfs/dbraw/zinc/46/12/02/570461202.db2.gz OYKOXCPZQTWVLB-UHFFFAOYSA-N 0 0 386.929 5.099 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SC(C)C)cc1C(C)C ZINC000223353957 570461218 /nfs/dbraw/zinc/46/12/18/570461218.db2.gz CJSRQPJCMRRLHI-QGZVFWFLSA-N 0 0 385.573 6.119 40 0 GKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C ZINC000223354492 570461271 /nfs/dbraw/zinc/46/12/71/570461271.db2.gz FKZIYAIMHYBVOI-VGSWGCGISA-N 0 0 381.516 5.088 40 0 GKABRN COc1ccc(C(=O)[C@H](Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 ZINC000005916905 570461631 /nfs/dbraw/zinc/46/16/31/570461631.db2.gz JMUSDIYPKORQOA-HXUWFJFHSA-N 0 0 386.278 6.038 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2F)cc1C(C)C ZINC000223369595 570462246 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Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000223487391 570468271 /nfs/dbraw/zinc/46/82/71/570468271.db2.gz FRXTUMLSVISEHZ-FQRUVTKNSA-N 0 0 399.534 5.547 40 0 GKABRN Cc1cc(C)c([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C ZINC000223489050 570468377 /nfs/dbraw/zinc/46/83/77/570468377.db2.gz HFVKXROTMIPHPK-QGZVFWFLSA-N 0 0 375.965 6.015 40 0 GKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)cc1 ZINC000223487512 570468424 /nfs/dbraw/zinc/46/84/24/570468424.db2.gz FRXTUMLSVISEHZ-RXFWQSSRSA-N 0 0 399.534 5.547 40 0 GKABRN CCSc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223521671 570469476 /nfs/dbraw/zinc/46/94/76/570469476.db2.gz HWPMZTNMVQGNQR-UHFFFAOYSA-N 0 0 379.547 5.040 40 0 GKABRN CC(C)(C)c1ccc(CCC(=O)NCCOc2cccc3ccccc32)cc1 ZINC000223533076 570469897 /nfs/dbraw/zinc/46/98/97/570469897.db2.gz FDKHVJXFCKUOQD-UHFFFAOYSA-N 0 0 375.512 5.265 40 0 GKABRN Cc1ccnn1[C@H](C)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000035316651 570470402 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/nfs/dbraw/zinc/87/72/21/570877221.db2.gz GMWBXMNJGZINJS-UHFFFAOYSA-N 0 0 399.490 5.599 40 0 GKABRN Cc1ccc(OCCCn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 ZINC000014135936 570877275 /nfs/dbraw/zinc/87/72/75/570877275.db2.gz BKGUBCFRHONFQD-UHFFFAOYSA-N 0 0 399.490 5.681 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(N)cc1Cl ZINC000072229526 570878639 /nfs/dbraw/zinc/87/86/39/570878639.db2.gz GKNRTFNBAJIIEA-SSDOTTSWSA-N 0 0 394.085 5.288 40 0 GKABRN C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 ZINC000014162499 570878659 /nfs/dbraw/zinc/87/86/59/570878659.db2.gz GEUKFIMZNYBNFY-NPMXOYFQSA-N 0 0 376.525 5.614 40 0 GKABRN Cc1nn2c(ncc3c2C[C@H](/C=C/c2ccccc2)CC3=O)c1-c1ccc(F)cc1 ZINC000014163870 570878976 /nfs/dbraw/zinc/87/89/76/570878976.db2.gz AVHLHSDMJQSESF-DVBCCOPCSA-N 0 0 397.453 5.302 40 0 GKABRN C[C@@H]1CCc2c(c(-c3ccccc3)[nH]c(=S)c2C(=O)NCc2ccco2)C1 ZINC000170622686 570880094 /nfs/dbraw/zinc/88/00/94/570880094.db2.gz VSAYBASXPXGTKJ-CQSZACIVSA-N 0 0 378.497 5.059 40 0 GKABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014291519 570882011 /nfs/dbraw/zinc/88/20/11/570882011.db2.gz XVIUQBQFNDBFRH-UHFFFAOYSA-N 0 0 385.099 5.242 40 0 GKABRN Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000036611289 570883012 /nfs/dbraw/zinc/88/30/12/570883012.db2.gz YRYMQSFTTUVLKX-UHFFFAOYSA-N 0 0 380.535 7.057 40 0 GKABRN Cc1ccccc1CSCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000014397620 570883149 /nfs/dbraw/zinc/88/31/49/570883149.db2.gz WUVARNPWESZROS-GOSISDBHSA-N 0 0 385.573 5.109 40 0 GKABRN Cc1ccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C ZINC000014397758 570883176 /nfs/dbraw/zinc/88/31/76/570883176.db2.gz VMTDLPNXRBVLHM-UHFFFAOYSA-N 0 0 391.536 5.922 40 0 GKABRN O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 ZINC000014397413 570883248 /nfs/dbraw/zinc/88/32/48/570883248.db2.gz WESYPTSOLAPESB-UHFFFAOYSA-N 0 0 398.355 5.202 40 0 GKABRN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000014398089 570883507 /nfs/dbraw/zinc/88/35/07/570883507.db2.gz HPPWVXCELNYNLB-MRXNPFEDSA-N 0 0 381.472 5.524 40 0 GKABRN C[C@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000014398516 570883647 /nfs/dbraw/zinc/88/36/47/570883647.db2.gz WBKWZRCXOLRQKH-SFHVURJKSA-N 0 0 379.887 5.336 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000014398514 570883659 /nfs/dbraw/zinc/88/36/59/570883659.db2.gz WBKWZRCXOLRQKH-GOSISDBHSA-N 0 0 379.887 5.336 40 0 GKABRN Cc1cc(C)cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000014399545 570884416 /nfs/dbraw/zinc/88/44/16/570884416.db2.gz GTDYIYXUJBCVNY-UHFFFAOYSA-N 0 0 381.859 5.767 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)c3ccc(N4CCCCC4)cc3)ccc21 ZINC000014399646 570884467 /nfs/dbraw/zinc/88/44/67/570884467.db2.gz BVAGUIYDYMDRDN-UHFFFAOYSA-N 0 0 397.522 6.057 40 0 GKABRN CCCCCCN(CCCCCC)S(=O)(=O)c1c(C)nn(C(F)F)c1C ZINC000036614909 570885478 /nfs/dbraw/zinc/88/54/78/570885478.db2.gz CBJLEUIVHLQFAV-UHFFFAOYSA-N 0 0 393.544 5.046 40 0 GKABRN CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC ZINC000016411216 570888648 /nfs/dbraw/zinc/88/86/48/570888648.db2.gz SSEFHAZSZRFHIA-LFIBNONCSA-N 0 0 384.863 5.073 40 0 GKABRN COc1ccc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000014401533 570890700 /nfs/dbraw/zinc/89/07/00/570890700.db2.gz IHGVLBRHOSWZND-MRXNPFEDSA-N 0 0 379.481 5.252 40 0 GKABRN Cc1ccc(CSCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000014410805 570891465 /nfs/dbraw/zinc/89/14/65/570891465.db2.gz XJPURPDLTGVAKM-UHFFFAOYSA-N 0 0 379.550 6.018 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014400824 570891912 /nfs/dbraw/zinc/89/19/12/570891912.db2.gz PLGUWZFUTNNQAG-INIZCTEOSA-N 0 0 388.678 5.452 40 0 GKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Br ZINC000014601664 570893034 /nfs/dbraw/zinc/89/30/34/570893034.db2.gz UXGSCJSPZAUQHM-UHFFFAOYSA-N 0 0 378.575 5.374 40 0 GKABRN COc1cccc(C(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)c1 ZINC000014607978 570893543 /nfs/dbraw/zinc/89/35/43/570893543.db2.gz QZLOKAFMGMGQKF-QFIPXVFZSA-N 0 0 383.451 5.045 40 0 GKABRN CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000014608077 570893639 /nfs/dbraw/zinc/89/36/39/570893639.db2.gz JUTWFEVBWSIVCA-HXUWFJFHSA-N 0 0 391.471 5.627 40 0 GKABRN CC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@H]1c1ccc(F)cc1 ZINC000014607984 570893667 /nfs/dbraw/zinc/89/36/67/570893667.db2.gz JJKQBWNKISUXKK-OAQYLSRUSA-N 0 0 391.471 5.166 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc2ccccc21 ZINC000014649177 570894015 /nfs/dbraw/zinc/89/40/15/570894015.db2.gz YVDVFRMWYKDLDR-UHFFFAOYSA-N 0 0 398.300 6.034 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1C ZINC000014649408 570894443 /nfs/dbraw/zinc/89/44/43/570894443.db2.gz SCELXUWQBZFOPV-UHFFFAOYSA-N 0 0 396.712 5.842 40 0 GKABRN Fc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 ZINC000014676133 570894445 /nfs/dbraw/zinc/89/44/45/570894445.db2.gz DNKTZAKZFGLZQU-UHFFFAOYSA-N 0 0 396.878 5.414 40 0 GKABRN COc1ccc(C(=O)N2CN(C3CCCCC3)Cc3c(C)c(C)sc32)cc1 ZINC000005612020 570897958 /nfs/dbraw/zinc/89/79/58/570897958.db2.gz BYYGHNLQFORUGO-UHFFFAOYSA-N 0 0 384.545 5.126 40 0 GKABRN O=C(Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl ZINC000014785341 570898134 /nfs/dbraw/zinc/89/81/34/570898134.db2.gz ZXXIMFGXDCGOIY-UHFFFAOYSA-N 0 0 379.468 5.662 40 0 GKABRN CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000014835469 570899291 /nfs/dbraw/zinc/89/92/91/570899291.db2.gz LAHPYRYJUVNFJB-UHFFFAOYSA-N 0 0 388.183 5.119 40 0 GKABRN COc1ccc(C)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000015327460 570904744 /nfs/dbraw/zinc/90/47/44/570904744.db2.gz ZCOVGPIJMCIIHY-UHFFFAOYSA-N 0 0 397.927 6.202 40 0 GKABRN O=C(Nc1ccccc1)[C@H](c1ccccc1)N(Nc1ccccc1)c1ccccc1 ZINC000006581768 570905643 /nfs/dbraw/zinc/90/56/43/570905643.db2.gz VYNSVDSXLQBBJB-VWLOTQADSA-N 0 0 393.490 5.900 40 0 GKABRN COc1ccc(OC)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000022396716 570905964 /nfs/dbraw/zinc/90/59/64/570905964.db2.gz SQYVJRFZGUTHQA-UHFFFAOYSA-N 0 0 392.238 5.523 40 0 GKABRN CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(C)cc1 ZINC000033657673 570910703 /nfs/dbraw/zinc/91/07/03/570910703.db2.gz XFXFTCFXGPLUGY-UHFFFAOYSA-N 0 0 383.557 5.380 40 0 GKABRN COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 ZINC000016313056 570912648 /nfs/dbraw/zinc/91/26/48/570912648.db2.gz FAOWGRWAYWHYME-DHZHZOJOSA-N 0 0 397.858 5.578 40 0 GKABRN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000016346820 570912678 /nfs/dbraw/zinc/91/26/78/570912678.db2.gz CHHGGQGKTSUUTD-ZRDIBKRKSA-N 0 0 395.842 5.347 40 0 GKABRN CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 ZINC000016691730 570914209 /nfs/dbraw/zinc/91/42/09/570914209.db2.gz AKSMZLQNCWYCPO-ACCUITESSA-N 0 0 381.859 5.959 40 0 GKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Cl)c1 ZINC000017078023 570917268 /nfs/dbraw/zinc/91/72/68/570917268.db2.gz OPTQCDBPXUPGTD-UHFFFAOYSA-N 0 0 381.642 6.264 40 0 GKABRN Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccccc3N)c3ccc(C)cc32)cc1 ZINC000017078726 570917582 /nfs/dbraw/zinc/91/75/82/570917582.db2.gz UNUMBVLLNNVGRP-MBSDFSHPSA-N 0 0 385.511 5.478 40 0 GKABRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(C)c1 ZINC000017078845 570917737 /nfs/dbraw/zinc/91/77/37/570917737.db2.gz PDRONAQRQFZRII-UHFFFAOYSA-N 0 0 386.451 5.681 40 0 GKABRN Cc1cc(C)cc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000017079168 570918088 /nfs/dbraw/zinc/91/80/88/570918088.db2.gz GLSIKNPSYIMOOA-UHFFFAOYSA-N 0 0 387.719 5.390 40 0 GKABRN Cc1ccc2nc(-c3cc(NC(=O)c4cc(C)cc(C)c4)ccc3Cl)oc2c1 ZINC000017079815 570918361 /nfs/dbraw/zinc/91/83/61/570918361.db2.gz NRJNRWOPSIEVNG-UHFFFAOYSA-N 0 0 390.870 6.326 40 0 GKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccccc4s3)o2)cc1Cl ZINC000017080737 570918539 /nfs/dbraw/zinc/91/85/39/570918539.db2.gz NTMILFASBGJRLU-PKNBQFBNSA-N 0 0 394.883 6.170 40 0 GKABRN FC(F)(F)c1ccc(NC(=S)NCCc2c[nH]c3ccc(Cl)cc23)cc1 ZINC000017081384 570918817 /nfs/dbraw/zinc/91/88/17/570918817.db2.gz CNWTZWQFBBWQDL-UHFFFAOYSA-N 0 0 397.853 5.369 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)[C@@H]2O ZINC000118916212 570920732 /nfs/dbraw/zinc/92/07/32/570920732.db2.gz UJAGXNQAAJDDLR-GLMIRXKISA-N 0 0 378.556 5.365 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000118918453 570920938 /nfs/dbraw/zinc/92/09/38/570920938.db2.gz BGSWILYBWIQYKQ-ZYTWQREFSA-N 0 0 394.555 5.536 40 0 GKABRN COC(=O)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]32)C1 ZINC000118930030 570921241 /nfs/dbraw/zinc/92/12/41/570921241.db2.gz AGCCCDFZUSVZQF-LWYMFVSZSA-N 0 0 390.564 5.284 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)[C@H]2O ZINC000118916370 570921263 /nfs/dbraw/zinc/92/12/63/570921263.db2.gz KSPVZBIZOLYUPJ-UDZKRRQJSA-N 0 0 382.563 6.613 40 0 GKABRN CCCCC(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000016637575 570929376 /nfs/dbraw/zinc/92/93/76/570929376.db2.gz PPGPIXUITVQUDJ-UHFFFAOYSA-N 0 0 379.312 6.399 40 0 GKABRN CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004081679 570931512 /nfs/dbraw/zinc/93/15/12/570931512.db2.gz 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Clc1cccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)c1 ZINC000016789187 207078361 /nfs/dbraw/zinc/07/83/61/207078361.db2.gz PHXVGKHVOIRIKJ-GOSISDBHSA-N 0 0 385.920 5.249 40 0 GKABRN CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC(C)(C)C)OC(C)=O ZINC000016892833 207079771 /nfs/dbraw/zinc/07/97/71/207079771.db2.gz CSVPAKNLCVAIII-XEZIEYNOSA-N 0 0 396.612 6.907 40 0 GKABRN Cc1cc(OC(=O)/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl ZINC000016978853 207081644 /nfs/dbraw/zinc/08/16/44/207081644.db2.gz LLZVETHMUZEABN-AATRIKPKSA-N 0 0 393.266 5.294 40 0 GKABRN C/C(=C\CCC1=CC(=O)OC1O)CC/C=C(/C)CCC1=C(C)CCCC1(C)C ZINC000017188461 207086867 /nfs/dbraw/zinc/08/68/67/207086867.db2.gz JPWPYTMXSXYUPG-ZBFDJERGSA-N 0 0 386.576 6.548 40 0 GKABRN Cc1cc2sc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2cc1Cl ZINC000017080312 207083610 /nfs/dbraw/zinc/08/36/10/207083610.db2.gz BLINMDNJHDUHKE-UHFFFAOYSA-N 0 0 392.911 6.106 40 0 GKABRN COc1ccc(N(C(C)=O)[C@H](Sc2ccc(C)cc2)c2ccccc2)cc1 ZINC000017378407 207089645 /nfs/dbraw/zinc/08/96/45/207089645.db2.gz 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221463601 /nfs/dbraw/zinc/46/36/01/221463601.db2.gz CLZDEXMHYSPVQP-UHFFFAOYSA-N 0 0 381.682 5.445 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1cccc(Cl)c1 ZINC000019931782 221465321 /nfs/dbraw/zinc/46/53/21/221465321.db2.gz VMVYVINAQVRSLC-FQEVSTJZSA-N 0 0 391.964 5.164 40 0 GKABRN Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c2ccccc2)cc1 ZINC000020460015 221490621 /nfs/dbraw/zinc/49/06/21/221490621.db2.gz GVJXPUCVMIOWCJ-BWKNWUBXSA-N 0 0 387.523 5.593 40 0 GKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020487430 221492151 /nfs/dbraw/zinc/49/21/51/221492151.db2.gz QAJOBGRNOWDZAM-HSZRJFAPSA-N 0 0 375.468 5.892 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C(C)C)cc3)ccc21 ZINC000020497491 221496106 /nfs/dbraw/zinc/49/61/06/221496106.db2.gz HGFHWBZOOCRIJX-UHFFFAOYSA-N 0 0 386.495 5.955 40 0 GKABRN Cc1ccc([C@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000020456997 221488371 /nfs/dbraw/zinc/48/83/71/221488371.db2.gz HFPGVJMSTICTPH-HSZRJFAPSA-N 0 0 395.955 5.787 40 0 GKABRN Cc1ccc([C@H](NC(=O)CCSCc2ccccc2)c2ccccc2)cc1 ZINC000020457578 221489687 /nfs/dbraw/zinc/48/96/87/221489687.db2.gz MQSJPBCETDIOAG-XMMPIXPASA-N 0 0 375.537 5.524 40 0 GKABRN O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257277112 209066407 /nfs/dbraw/zinc/06/64/07/209066407.db2.gz NWMQMHJDHKNQTK-HSZRJFAPSA-N 0 0 397.478 5.181 40 0 GKABRN O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257297635 209071557 /nfs/dbraw/zinc/07/15/57/209071557.db2.gz RIFMWENBWCPOAT-IBGZPJMESA-N 0 0 386.451 5.031 40 0 GKABRN COc1ccc2c(c1)CCC[C@@H]2NC(=O)CCc1ccc(Cl)cc1Cl ZINC000225378595 533247087 /nfs/dbraw/zinc/24/70/87/533247087.db2.gz FUHUASQKUNVHBQ-IBGZPJMESA-N 0 0 378.299 5.128 40 0 GKABRN COc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(OC)cc2)cc1 ZINC000004416113 533239975 /nfs/dbraw/zinc/23/99/75/533239975.db2.gz SYIXBDFCOLPXSD-JYFOCSDGSA-N 0 0 394.474 5.988 40 0 GKABRN COc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O ZINC000409005467 533339568 /nfs/dbraw/zinc/33/95/68/533339568.db2.gz 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Cc1ccc(C)c2sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)nc21 ZINC000408623913 533718091 /nfs/dbraw/zinc/71/80/91/533718091.db2.gz VDOPBQKGGDBKHD-LLVKDONJSA-N 0 0 395.311 5.626 40 0 GKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000408926069 533751179 /nfs/dbraw/zinc/75/11/79/533751179.db2.gz WYUIDWSCEZSJQQ-GOSISDBHSA-N 0 0 393.577 6.407 40 0 GKABRN Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 ZINC000408705557 533751397 /nfs/dbraw/zinc/75/13/97/533751397.db2.gz IKNXMPCJSMLKSK-QGZVFWFLSA-N 0 0 395.499 5.832 40 0 GKABRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 ZINC000408801539 533786761 /nfs/dbraw/zinc/78/67/61/533786761.db2.gz URHLGMSBOXDMMV-UHFFFAOYSA-N 0 0 385.940 5.709 40 0 GKABRN COc1cccc2c(/C=C3\Sc4ccccc4NC3=O)c(-c3ccccc3)[nH]c21 ZINC000409105121 533830792 /nfs/dbraw/zinc/83/07/92/533830792.db2.gz GMQXWUMPGMGRRL-STZFKDTASA-N 0 0 398.487 5.929 40 0 GKABRN COc1ccc(Cl)cc1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408809974 533833247 /nfs/dbraw/zinc/83/32/47/533833247.db2.gz 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/nfs/dbraw/zinc/91/06/90/533910690.db2.gz ASAADABXNSNLIJ-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409113676 533910858 /nfs/dbraw/zinc/91/08/58/533910858.db2.gz FOHJPQGDBASSIM-UHFFFAOYSA-N 0 0 399.893 6.296 40 0 GKABRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1 ZINC000106703436 533910732 /nfs/dbraw/zinc/91/07/32/533910732.db2.gz PVJLWNJAZFODGZ-NDENLUEZSA-N 0 0 381.497 5.266 40 0 GKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F ZINC000409110387 533911943 /nfs/dbraw/zinc/91/19/43/533911943.db2.gz VPFVTXPHAPGDSN-UHFFFAOYSA-N 0 0 399.893 6.296 40 0 GKABRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 ZINC000106702656 533911838 /nfs/dbraw/zinc/91/18/38/533911838.db2.gz USCSPDOCOUUWAR-MOSHPQCFSA-N 0 0 375.449 5.492 40 0 GKABRN COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000008113882 533912452 /nfs/dbraw/zinc/91/24/52/533912452.db2.gz YBNIUTPXMYVCPE-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN COc1ccccc1-c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1N ZINC000408598723 533914859 /nfs/dbraw/zinc/91/48/59/533914859.db2.gz ABMNZPKYPCLWLB-UHFFFAOYSA-N 0 0 392.462 5.321 40 0 GKABRN COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409119401 533915002 /nfs/dbraw/zinc/91/50/02/533915002.db2.gz PFRUULSGDDAXFO-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl ZINC000107042210 533916585 /nfs/dbraw/zinc/91/65/85/533916585.db2.gz KGQYIOAVBGNNTF-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000408706258 533922601 /nfs/dbraw/zinc/92/26/01/533922601.db2.gz YUIMQLLLMJQIFP-LJQANCHMSA-N 0 0 379.544 5.233 40 0 GKABRN COc1ccccc1/C=C1\N=C(c2sc3cc(C)ccc3c2Cl)OC1=O ZINC000408964018 533952743 /nfs/dbraw/zinc/95/27/43/533952743.db2.gz LTWFHJUJNNIBTQ-UVTDQMKNSA-N 0 0 383.856 5.216 40 0 GKABRN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)S1 ZINC000222629608 533992142 /nfs/dbraw/zinc/99/21/42/533992142.db2.gz ZXNGGBLFRAVWFA-MRFFXTKBSA-N 0 0 395.915 5.584 40 0 GKABRN Cc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000408571884 534052466 /nfs/dbraw/zinc/05/24/66/534052466.db2.gz DBDAGIPRNIYJCQ-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 ZINC000225870714 534059091 /nfs/dbraw/zinc/05/90/91/534059091.db2.gz FIHRENNFVFMLFU-UHFFFAOYSA-N 0 0 393.314 5.546 40 0 GKABRN Cc1cc(C)cc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 ZINC000408969846 534083115 /nfs/dbraw/zinc/08/31/15/534083115.db2.gz VMPNECQUOPIWKN-UHFFFAOYSA-N 0 0 384.715 6.731 40 0 GKABRN Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)cc1 ZINC000409093797 534107893 /nfs/dbraw/zinc/10/78/93/534107893.db2.gz AAKUZDVJDALDRW-UHFFFAOYSA-N 0 0 399.563 6.076 40 0 GKABRN Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 ZINC000409124894 534145925 /nfs/dbraw/zinc/14/59/25/534145925.db2.gz BRZGKSYEYHKFMB-XYOKQWHBSA-N 0 0 396.962 5.308 40 0 GKABRN Cc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc(C)cc3)ss2)cc1 ZINC000408732775 534165591 /nfs/dbraw/zinc/16/55/91/534165591.db2.gz YTLYPRXGMYVZAZ-UHFFFAOYSA-N 0 0 393.580 5.281 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2-c2ccccc2C)cc1 ZINC000408724245 534180314 /nfs/dbraw/zinc/18/03/14/534180314.db2.gz IUHOPVGZIXUHOL-UHFFFAOYSA-N 0 0 395.506 6.025 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2-c2ccccc2)cc1 ZINC000408728001 534180524 /nfs/dbraw/zinc/18/05/24/534180524.db2.gz ZACWGKSUTITCAM-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2)cc1 ZINC000408726790 534180557 /nfs/dbraw/zinc/18/05/57/534180557.db2.gz UWGSMQAOYWXFPZ-UHFFFAOYSA-N 0 0 385.442 5.548 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)nn2-c2ccc(C)cc2)cc1 ZINC000408725437 534180854 /nfs/dbraw/zinc/18/08/54/534180854.db2.gz OYPXENDOJCTWRI-UHFFFAOYSA-N 0 0 395.506 6.025 40 0 GKABRN COc1ccc(NC(=S)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408585960 534180871 /nfs/dbraw/zinc/18/08/71/534180871.db2.gz LSWIYWJTIXEIDX-UHFFFAOYSA-N 0 0 392.568 5.972 40 0 GKABRN Cc1ccc(-c2cc(C)nc(Sc3oc(C=O)cc3Br)n2)cc1 ZINC000408554788 534181448 /nfs/dbraw/zinc/18/14/48/534181448.db2.gz FPXXOFADOUPXCR-UHFFFAOYSA-N 0 0 389.274 5.080 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)cc2)cc1 ZINC000408727863 534181766 /nfs/dbraw/zinc/18/17/66/534181766.db2.gz YFHAUXDKEQDJTE-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN COc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000409195062 534182006 /nfs/dbraw/zinc/18/20/06/534182006.db2.gz PALJPBFOCRJXJK-UHFFFAOYSA-N 0 0 392.238 5.426 40 0 GKABRN Cc1ccc(-c2cc(C)nc(SCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000409386344 534182328 /nfs/dbraw/zinc/18/23/28/534182328.db2.gz SKPYYUGWPYHBCK-UHFFFAOYSA-N 0 0 375.324 6.360 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)nn2-c2ccccc2C)cc1 ZINC000408724121 534183062 /nfs/dbraw/zinc/18/30/62/534183062.db2.gz FRHQEKSYMJDOSS-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2F)cc1 ZINC000408674762 534183663 /nfs/dbraw/zinc/18/36/63/534183663.db2.gz CGQISPWYRAYALZ-UHFFFAOYSA-N 0 0 390.389 5.014 40 0 GKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1 ZINC000408674624 534184990 /nfs/dbraw/zinc/18/49/90/534184990.db2.gz ARUXCZAMONMEOW-UHFFFAOYSA-N 0 0 388.511 5.327 40 0 GKABRN COc1ccc(NCc2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000106975064 534185250 /nfs/dbraw/zinc/18/52/50/534185250.db2.gz ZREAUTYSBBYGLB-UHFFFAOYSA-N 0 0 383.491 6.348 40 0 GKABRN COc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409114410 534186439 /nfs/dbraw/zinc/18/64/39/534186439.db2.gz HLIDUIHXLJRHFU-UHFFFAOYSA-N 0 0 399.490 6.048 40 0 GKABRN COc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 ZINC000107039303 534187073 /nfs/dbraw/zinc/18/70/73/534187073.db2.gz GEAFWSLNAOPKRL-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN COc1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000022072549 534192973 /nfs/dbraw/zinc/19/29/73/534192973.db2.gz LPHQMMYRJWYTTM-UHFFFAOYSA-N 0 0 388.254 5.393 40 0 GKABRN COc1ccccc1OCc1ccc(C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000409174800 534204329 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Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cccc(C)c2)cc1 ZINC000408699959 534208180 /nfs/dbraw/zinc/20/81/80/534208180.db2.gz XUFYEUFVVBCZNS-UHFFFAOYSA-N 0 0 382.467 5.112 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(C)cc2C)cc1 ZINC000408700106 534208358 /nfs/dbraw/zinc/20/83/58/534208358.db2.gz YUWVCVKHZGZOGV-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2)cc1 ZINC000408696776 534208448 /nfs/dbraw/zinc/20/84/48/534208448.db2.gz BSMVWDBEZMNUCI-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cc(C)ccc2C)cc1 ZINC000408700237 534208456 /nfs/dbraw/zinc/20/84/56/534208456.db2.gz ZXLKEENCDZJJBI-UHFFFAOYSA-N 0 0 382.467 5.112 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408697406 534209384 /nfs/dbraw/zinc/20/93/84/534209384.db2.gz HBYOZWPDGFTCBT-UHFFFAOYSA-N 0 0 396.494 5.420 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cc(C)ccc2C)cc1 ZINC000408698742 534209403 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/nfs/dbraw/zinc/56/62/00/528566200.db2.gz ATJAMBSGIVTKHO-UHFFFAOYSA-N 0 0 388.876 5.159 40 0 GKABRN CCCOC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 ZINC000408623961 528579180 /nfs/dbraw/zinc/57/91/80/528579180.db2.gz VUUIVEYZSSXZHP-UHFFFAOYSA-N 0 0 395.499 5.319 40 0 GKABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C ZINC000408559756 528588971 /nfs/dbraw/zinc/58/89/71/528588971.db2.gz YPAKPPSILYDREZ-UHFFFAOYSA-N 0 0 399.537 5.346 40 0 GKABRN CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 ZINC000224471178 528604230 /nfs/dbraw/zinc/60/42/30/528604230.db2.gz GHKYRIYWEBJHIF-UXHICEINSA-N 0 0 396.947 5.295 40 0 GKABRN CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)cc1 ZINC000408662196 528608291 /nfs/dbraw/zinc/60/82/91/528608291.db2.gz MSZQQIYUIZPIAR-MRXNPFEDSA-N 0 0 399.918 5.295 40 0 GKABRN CCCOc1c(Br)cc(CNc2ccc(C)cc2)cc1OCC ZINC000106992500 528610886 /nfs/dbraw/zinc/61/08/86/528610886.db2.gz PWQPQOSUEAPASE-UHFFFAOYSA-N 0 0 378.310 5.557 40 0 GKABRN CCCOc1c(Br)cc(CNc2cccc(C)c2)cc1OCC ZINC000409111386 528611131 /nfs/dbraw/zinc/61/11/31/528611131.db2.gz INUWTCMBNXNSCK-UHFFFAOYSA-N 0 0 378.310 5.557 40 0 GKABRN CCCOc1c(Br)cc(CNc2ccccc2CC)cc1OCC ZINC000409117362 528611243 /nfs/dbraw/zinc/61/12/43/528611243.db2.gz QZHSKKSGZYKRMA-UHFFFAOYSA-N 0 0 392.337 5.811 40 0 GKABRN CCCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409109855 528611515 /nfs/dbraw/zinc/61/15/15/528611515.db2.gz MUVOOLGJRZJIFP-UHFFFAOYSA-N 0 0 392.337 5.866 40 0 GKABRN CCCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000106965077 528615128 /nfs/dbraw/zinc/61/51/28/528615128.db2.gz YLPAYWKVVQLHQN-UHFFFAOYSA-N 0 0 379.114 6.701 40 0 GKABRN CCCOc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000106993346 528615335 /nfs/dbraw/zinc/61/53/35/528615335.db2.gz RYXMJCXWLBLQGV-UHFFFAOYSA-N 0 0 388.722 6.446 40 0 GKABRN CCCOc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000106993927 528615392 /nfs/dbraw/zinc/61/53/92/528615392.db2.gz OROASXKKLFBKMZ-UHFFFAOYSA-N 0 0 388.722 6.446 40 0 GKABRN CCCOc1c(Cl)cc(CNc2ccc(Br)cc2)cc1Cl ZINC000106964995 528615439 /nfs/dbraw/zinc/61/54/39/528615439.db2.gz WOTOOQLGBSXCSJ-UHFFFAOYSA-N 0 0 389.120 6.157 40 0 GKABRN CCOC(=O)C1=C(C)N=C2SC=C(CC)N2[C@H]1c1cccc(Cl)c1Cl ZINC000408989555 528617142 /nfs/dbraw/zinc/61/71/42/528617142.db2.gz LFXWDGWQCMZIEV-INIZCTEOSA-N 0 0 397.327 5.541 40 0 GKABRN CCOc1ccc2ccccc2c1-c1nc(=O)c2c3c(sc2[nH]1)CCCCC3 ZINC000408988637 528624592 /nfs/dbraw/zinc/62/45/92/528624592.db2.gz IQERJOIBOBEIPO-UHFFFAOYSA-N 0 0 390.508 5.885 40 0 GKABRN CCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCC ZINC000409316284 528641298 /nfs/dbraw/zinc/64/12/98/528641298.db2.gz YHYHMNFOFWIDTK-XMHGGMMESA-N 0 0 383.469 5.115 40 0 GKABRN CCCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000408567226 528641463 /nfs/dbraw/zinc/64/14/63/528641463.db2.gz KWWWWYQVFHKTSC-UXBLZVDNSA-N 0 0 394.298 5.833 40 0 GKABRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCC ZINC000106682065 528642491 /nfs/dbraw/zinc/64/24/91/528642491.db2.gz VALQAPZXJPELBH-ZHZULCJRSA-N 0 0 397.496 5.111 40 0 GKABRN CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000408586145 528655387 /nfs/dbraw/zinc/65/53/87/528655387.db2.gz LMWJIIIAKDQYPH-UHFFFAOYSA-N 0 0 377.440 5.529 40 0 GKABRN CCCCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1OC ZINC000408989495 528656657 /nfs/dbraw/zinc/65/66/57/528656657.db2.gz KVIPMFDYHSLJRX-UHFFFAOYSA-N 0 0 398.528 5.520 40 0 GKABRN CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccccc3)n2CC)cc1 ZINC000408561564 528657698 /nfs/dbraw/zinc/65/76/98/528657698.db2.gz JSOVKIHFIVFBND-VHXPQNKSSA-N 0 0 394.540 5.465 40 0 GKABRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000106681971 528658004 /nfs/dbraw/zinc/65/80/04/528658004.db2.gz SODDEFRBVGMBLX-ZHZULCJRSA-N 0 0 397.496 5.111 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000408585156 528668190 /nfs/dbraw/zinc/66/81/90/528668190.db2.gz BQBNMEMAJNRQNE-UHFFFAOYSA-N 0 0 391.467 5.919 40 0 GKABRN CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(C)c3)nn2)cc1 ZINC000408529527 528668595 /nfs/dbraw/zinc/66/85/95/528668595.db2.gz MBPPJEYLFFLIAK-UHFFFAOYSA-N 0 0 376.456 5.159 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC ZINC000408534277 528669058 /nfs/dbraw/zinc/66/90/58/528669058.db2.gz UUAYNHGURBGILA-UHFFFAOYSA-N 0 0 382.287 5.823 40 0 GKABRN CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1C ZINC000408587151 528677261 /nfs/dbraw/zinc/67/72/61/528677261.db2.gz RFBBTQNXTGXREL-UHFFFAOYSA-N 0 0 396.712 5.842 40 0 GKABRN CCCc1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007602196 528680604 /nfs/dbraw/zinc/68/06/04/528680604.db2.gz ZHHPRAUPWPXYJN-UHFFFAOYSA-N 0 0 383.304 5.204 40 0 GKABRN CCCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408556186 528691231 /nfs/dbraw/zinc/69/12/31/528691231.db2.gz IEYWCMWDKZPQID-UHFFFAOYSA-N 0 0 398.728 5.902 40 0 GKABRN CCCOc1ccc(CNc2ccc(Br)cc2)cc1Br ZINC000106964306 528691492 /nfs/dbraw/zinc/69/14/92/528691492.db2.gz VVDWNQSWZSULHA-UHFFFAOYSA-N 0 0 399.126 5.613 40 0 GKABRN CCCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Cl ZINC000408554897 528691532 /nfs/dbraw/zinc/69/15/32/528691532.db2.gz DXCGFBWFUHBGIA-UHFFFAOYSA-N 0 0 389.120 6.157 40 0 GKABRN CCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000408587638 528694193 /nfs/dbraw/zinc/69/41/93/528694193.db2.gz SRATVOYGGGPNPP-UHFFFAOYSA-N 0 0 381.859 6.173 40 0 GKABRN CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409124987 528698103 /nfs/dbraw/zinc/69/81/03/528698103.db2.gz CZHJHEQQJBWVMG-MTJSOVHGSA-N 0 0 390.508 5.534 40 0 GKABRN CCCOc1ccc2ccccc2c1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408556699 528730800 /nfs/dbraw/zinc/73/08/00/528730800.db2.gz KDFGJKIRXHKGKO-JOCHJYFZSA-N 0 0 397.927 6.061 40 0 GKABRN CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1cccc(C)c1 ZINC000409114528 528745221 /nfs/dbraw/zinc/74/52/21/528745221.db2.gz GXKXLPXLUYYBOH-UHFFFAOYSA-N 0 0 386.586 5.909 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(F)cc1 ZINC000408560183 528804369 /nfs/dbraw/zinc/80/43/69/528804369.db2.gz CJJCDLIEFLYRTO-FLFQWRMESA-N 0 0 386.467 5.208 40 0 GKABRN CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408561949 528804436 /nfs/dbraw/zinc/80/44/36/528804436.db2.gz LXVUDSZOZWDFAZ-GYHWCHFESA-N 0 0 382.504 5.378 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408563714 528804621 /nfs/dbraw/zinc/80/46/21/528804621.db2.gz WUTVQNPKUMISGV-VHXPQNKSSA-N 0 0 378.541 5.547 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(C)cc1 ZINC000408559613 528804935 /nfs/dbraw/zinc/80/49/35/528804935.db2.gz ABGWCQWZVDWQMQ-GYHWCHFESA-N 0 0 398.959 5.892 40 0 GKABRN CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Cl)cc1 ZINC000408564076 528804948 /nfs/dbraw/zinc/80/49/48/528804948.db2.gz XLXQWCOAUVDLPS-GYHWCHFESA-N 0 0 398.959 5.892 40 0 GKABRN CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(C)cc1 ZINC000408564094 528805067 /nfs/dbraw/zinc/80/50/67/528805067.db2.gz XQBYYWREBUSPQR-GYHWCHFESA-N 0 0 398.959 5.892 40 0 GKABRN CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(OC)cc1 ZINC000408825427 528807210 /nfs/dbraw/zinc/80/72/10/528807210.db2.gz BJAOSPKIKUOLCA-UHFFFAOYSA-N 0 0 386.904 5.677 40 0 GKABRN CCCc1sc(NC(=O)c2cccs2)nc1-c1cc(OC)ccc1OC ZINC000408821198 528807344 /nfs/dbraw/zinc/80/73/44/528807344.db2.gz DOJHZCREXCMYKO-UHFFFAOYSA-N 0 0 388.514 5.094 40 0 GKABRN CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 ZINC000408824766 528807486 /nfs/dbraw/zinc/80/74/86/528807486.db2.gz JGFFRTNHWGPVRT-UHFFFAOYSA-N 0 0 391.323 6.322 40 0 GKABRN CCCc1sc(NC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1Cl ZINC000408830571 528807510 /nfs/dbraw/zinc/80/75/10/528807510.db2.gz YPNJMRTVXNRSHG-UHFFFAOYSA-N 0 0 391.323 6.322 40 0 GKABRN CCCc1sc(NC(=O)c2ccccc2C)nc1-c1cc(OC)ccc1OC ZINC000408836433 528807689 /nfs/dbraw/zinc/80/76/89/528807689.db2.gz RBPROKYQYWDFKZ-UHFFFAOYSA-N 0 0 396.512 5.341 40 0 GKABRN CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cc(C)ccc1C ZINC000408834204 528807702 /nfs/dbraw/zinc/80/77/02/528807702.db2.gz VKXDQYSYTUTQKK-UHFFFAOYSA-N 0 0 384.932 6.285 40 0 GKABRN CCCn1c(SCc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1 ZINC000409100884 528824075 /nfs/dbraw/zinc/82/40/75/528824075.db2.gz XDIZYIIAJIDJSJ-UHFFFAOYSA-N 0 0 393.943 6.454 40 0 GKABRN CCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 ZINC000409101612 528824373 /nfs/dbraw/zinc/82/43/73/528824373.db2.gz PUTQKBGUNAMPJS-UHFFFAOYSA-N 0 0 378.328 5.954 40 0 GKABRN CCCn1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c2ccccc21 ZINC000006325158 528828842 /nfs/dbraw/zinc/82/88/42/528828842.db2.gz BRKMOHVPVJGCMS-BKUYFWCQSA-N 0 0 390.508 5.596 40 0 GKABRN CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 ZINC000409133387 528832062 /nfs/dbraw/zinc/83/20/62/528832062.db2.gz MFDJHFBFWSCHDH-UHFFFAOYSA-N 0 0 386.586 5.827 40 0 GKABRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc21 ZINC000409119956 528944501 /nfs/dbraw/zinc/94/45/01/528944501.db2.gz RIEJLGCTKCDIOZ-VBKFSLOCSA-N 0 0 384.262 6.161 40 0 GKABRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 ZINC000409116573 528944827 /nfs/dbraw/zinc/94/48/27/528944827.db2.gz KSFHFBADIMNYEL-AQTBWJFISA-N 0 0 394.268 5.616 40 0 GKABRN 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CCOC(=O)c1ccc(NC(=O)CSCc2cccc(Cl)c2)cc1Cl ZINC000216314659 570298940 /nfs/dbraw/zinc/29/89/40/570298940.db2.gz VHXBDGZAUZPECQ-UHFFFAOYSA-N 0 0 398.311 5.042 40 0 GKABRN CCSc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000216330783 570299072 /nfs/dbraw/zinc/29/90/72/570299072.db2.gz OMXWBEMPIZAENT-UHFFFAOYSA-N 0 0 379.550 6.343 40 0 GKABRN Fc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000002524065 570299198 /nfs/dbraw/zinc/29/91/98/570299198.db2.gz UVXNXYXPZCXBSY-UHFFFAOYSA-N 0 0 375.472 5.290 40 0 GKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000216336683 570299310 /nfs/dbraw/zinc/29/93/10/570299310.db2.gz NVIGBVBLCBXOBF-JOCHJYFZSA-N 0 0 395.955 6.513 40 0 GKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCc1ccc(C(C)C)cc1 ZINC000216334128 570299349 /nfs/dbraw/zinc/29/93/49/570299349.db2.gz DESKIWJHAFYCIQ-HXUWFJFHSA-N 0 0 375.965 5.693 40 0 GKABRN Cc1cccc(Cl)c1NC(=S)N(Cc1ccccc1)Cc1ccccc1 ZINC000002766429 570299385 /nfs/dbraw/zinc/29/93/85/570299385.db2.gz WFGXBDPAFKRPAK-UHFFFAOYSA-N 0 0 380.944 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O=C1c2ccccc2[C@@H]2N1c1ccccc1C(=O)N2c1cccc2ccccc21 ZINC000002797159 570302675 /nfs/dbraw/zinc/30/26/75/570302675.db2.gz JQSXZCKCNWDEPA-QHCPKHFHSA-N 0 0 376.415 5.159 40 0 GKABRN Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000022053522 570303277 /nfs/dbraw/zinc/30/32/77/570303277.db2.gz HBAIXYIAPCAVQF-UHFFFAOYSA-N 0 0 385.389 5.713 40 0 GKABRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1F ZINC000022053497 570303311 /nfs/dbraw/zinc/30/33/11/570303311.db2.gz YOGIGTHAWHNYSA-UHFFFAOYSA-N 0 0 375.325 5.235 40 0 GKABRN C/C(=C\CO[C@H]1CCCCO1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000022066856 570304206 /nfs/dbraw/zinc/30/42/06/570304206.db2.gz LZUGECIXUUUMEW-UYCUHZTBSA-N 0 0 380.657 7.915 40 0 in-vitro GKABRN O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000022072245 570304212 /nfs/dbraw/zinc/30/42/12/570304212.db2.gz KZHAFJFYHXSYRV-UHFFFAOYSA-N 0 0 386.282 5.105 40 0 GKABRN Cc1ccccc1Nc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000022072901 570304529 /nfs/dbraw/zinc/30/45/29/570304529.db2.gz VKGOMUJQEJSTPP-UHFFFAOYSA-N 0 0 387.361 5.285 40 0 GKABRN Cc1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000022072318 570304531 /nfs/dbraw/zinc/30/45/31/570304531.db2.gz KTWJWXORYPXUEX-UHFFFAOYSA-N 0 0 382.261 5.148 40 0 GKABRN O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000022072758 570304547 /nfs/dbraw/zinc/30/45/47/570304547.db2.gz XFXNRLVDQMFABE-UHFFFAOYSA-N 0 0 391.780 5.750 40 0 GKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(F)cc1 ZINC000022072543 570304557 /nfs/dbraw/zinc/30/45/57/570304557.db2.gz ILTLMITUUPHQBM-UHFFFAOYSA-N 0 0 376.218 5.523 40 0 GKABRN C[C@]12CC[C@H]3c4ccc(OCc5ccccc5F)cc4CC[C@H]3[C@H]1CCC2=O ZINC000105366144 570304568 /nfs/dbraw/zinc/30/45/68/570304568.db2.gz PMPCWMKSIYMXOF-OUMCCJGNSA-N 0 0 378.487 5.830 40 0 GKABRN Cc1cccc(Nc2ncccc2C(=O)Nc2cccc(Br)c2)c1 ZINC000022072622 570304574 /nfs/dbraw/zinc/30/45/74/570304574.db2.gz FVFPHOVYKKKCRO-UHFFFAOYSA-N 0 0 382.261 5.148 40 0 GKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(Cl)cc1 ZINC000022072559 570304584 /nfs/dbraw/zinc/30/45/84/570304584.db2.gz UNGYPPOTEFAKHB-UHFFFAOYSA-N 0 0 392.673 6.038 40 0 GKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccccc1F ZINC000022072579 570304626 /nfs/dbraw/zinc/30/46/26/570304626.db2.gz JLHFMAHHHWYFMH-UHFFFAOYSA-N 0 0 376.218 5.523 40 0 GKABRN O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccccc1Cl ZINC000022072730 570304633 /nfs/dbraw/zinc/30/46/33/570304633.db2.gz IXASRUGVYSSYBI-UHFFFAOYSA-N 0 0 376.218 5.523 40 0 GKABRN O=C(Nc1ccccc1F)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 ZINC000022072859 570304643 /nfs/dbraw/zinc/30/46/43/570304643.db2.gz OCBHIZWKXXKGSV-UHFFFAOYSA-N 0 0 391.324 5.115 40 0 GKABRN CC(C)(Oc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000105591070 570305413 /nfs/dbraw/zinc/30/54/13/570305413.db2.gz QGBHDHXDLYWESL-UHFFFAOYSA-N 0 0 393.914 5.726 40 0 GKABRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)CC(C)C ZINC000021578983 570305919 /nfs/dbraw/zinc/30/59/19/570305919.db2.gz IMBCBMRKIKIZSX-UHFFFAOYSA-N 0 0 395.528 5.279 40 0 GKABRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)c1 ZINC000021579025 570306328 /nfs/dbraw/zinc/30/63/28/570306328.db2.gz VZYDZPSWYKQYDB-UHFFFAOYSA-N 0 0 386.451 5.879 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 ZINC000021579118 570306348 /nfs/dbraw/zinc/30/63/48/570306348.db2.gz ONOWABJKXXFPFK-UHFFFAOYSA-N 0 0 388.423 5.154 40 0 GKABRN Cc1ccc2c(cccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000021595830 570306986 /nfs/dbraw/zinc/30/69/86/570306986.db2.gz CTHAGVBUSXWAEX-UHFFFAOYSA-N 0 0 397.261 6.362 40 0 GKABRN CC(C)c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 ZINC000021595809 570307030 /nfs/dbraw/zinc/30/70/30/570307030.db2.gz MHBLAULBOUTISO-UHFFFAOYSA-N 0 0 376.294 5.369 40 0 GKABRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000021595624 570307034 /nfs/dbraw/zinc/30/70/34/570307034.db2.gz YRKNKAZKUNTVCP-UHFFFAOYSA-N 0 0 392.499 5.385 40 0 GKABRN CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2ccccc21 ZINC000022234397 570308848 /nfs/dbraw/zinc/30/88/48/570308848.db2.gz OYAYAFCVLSRXHJ-UHFFFAOYSA-N 0 0 395.673 5.234 40 0 GKABRN Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000022237747 570309974 /nfs/dbraw/zinc/30/99/74/570309974.db2.gz YEFDNZCWBKEOJV-UHFFFAOYSA-N 0 0 375.856 5.264 40 0 GKABRN COc1ccc(Cl)cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C ZINC000022245346 570310210 /nfs/dbraw/zinc/31/02/10/570310210.db2.gz SOLHOSCREMAWLT-UHFFFAOYSA-N 0 0 387.892 5.134 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc2ccccc21 ZINC000022245776 570310236 /nfs/dbraw/zinc/31/02/36/570310236.db2.gz JEUBXVIZFCSJMC-UHFFFAOYSA-N 0 0 377.444 5.740 40 0 GKABRN CCOC(=O)c1c(N)c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn21 ZINC000257173732 570311745 /nfs/dbraw/zinc/31/17/45/570311745.db2.gz VXBXGKHUWJIBLQ-UHFFFAOYSA-N 0 0 397.887 5.142 40 0 GKABRN CC(C)(C)C(=O)N[C@@H](Nc1c(Cl)cccc1Cl)C(Cl)(Cl)Cl ZINC000003153188 570313420 /nfs/dbraw/zinc/31/34/20/570313420.db2.gz NNHGPMSTYXLKAU-SNVBAGLBSA-N 0 0 392.541 5.264 40 0 GKABRN O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212014 570313820 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CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(SC2CCCCC2)nc1 ZINC000072217281 570316252 /nfs/dbraw/zinc/31/62/52/570316252.db2.gz WGRDFQROXALCFA-UHFFFAOYSA-N 0 0 392.565 5.384 40 0 GKABRN O=C(c1ccccc1)N1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217338 570316269 /nfs/dbraw/zinc/31/62/69/570316269.db2.gz LAZYLDZGSOEBOP-NRFANRHFSA-N 0 0 380.557 5.874 40 0 GKABRN O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217278 570316306 /nfs/dbraw/zinc/31/63/06/570316306.db2.gz HAWTWWGDBBXITJ-NRFANRHFSA-N 0 0 380.557 5.874 40 0 GKABRN Cc1nc(N2CCCCC2)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219311 570318065 /nfs/dbraw/zinc/31/80/65/570318065.db2.gz SRZUIPLWUCVWEZ-JOCHJYFZSA-N 0 0 393.531 5.244 40 0 GKABRN Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072219310 570318210 /nfs/dbraw/zinc/31/82/10/570318210.db2.gz SRZUIPLWUCVWEZ-QFIPXVFZSA-N 0 0 393.531 5.244 40 0 GKABRN Cc1cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cnc1N1CCCCC1 ZINC000072219191 570318264 /nfs/dbraw/zinc/31/82/64/570318264.db2.gz QUKPQLHCUVOQDH-JOCHJYFZSA-N 0 0 393.531 5.244 40 0 GKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(C)c1 ZINC000022509794 570318590 /nfs/dbraw/zinc/31/85/90/570318590.db2.gz BSSDTUSSZPSXJQ-LJQANCHMSA-N 0 0 394.005 5.569 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Br)c(C)c1 ZINC000022512426 570318916 /nfs/dbraw/zinc/31/89/16/570318916.db2.gz QQBXMPDHNYRBMX-QGZVFWFLSA-N 0 0 376.294 5.170 40 0 GKABRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)Nc1ccc2c(c1)OCO2 ZINC000584906323 570319143 /nfs/dbraw/zinc/31/91/43/570319143.db2.gz ZRFYYPPFINKMIU-UHFFFAOYSA-N 0 0 389.436 5.336 40 0 GKABRN Cc1cccc(N=c2scc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1 ZINC000584905925 570319253 /nfs/dbraw/zinc/31/92/53/570319253.db2.gz AJBLRBONKCOBHG-UHFFFAOYSA-N 0 0 382.960 6.916 40 0 GKABRN CCC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(C)cc3)ccc21 ZINC000585105697 570319573 /nfs/dbraw/zinc/31/95/73/570319573.db2.gz DQIIBVQJDNUMIX-IBGZPJMESA-N 0 0 377.528 5.493 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000022516763 570319513 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CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 ZINC000022527712 570320472 /nfs/dbraw/zinc/32/04/72/570320472.db2.gz PKYNPIOZDFHFMY-YADHBBJMSA-N 0 0 383.532 5.373 40 0 GKABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000022526070 570320496 /nfs/dbraw/zinc/32/04/96/570320496.db2.gz QYUXFVIVSPGBGK-FDDCHVKYSA-N 0 0 391.536 5.390 40 0 GKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000022526074 570320536 /nfs/dbraw/zinc/32/05/36/570320536.db2.gz QYUXFVIVSPGBGK-WZONZLPQSA-N 0 0 391.536 5.390 40 0 GKABRN Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@@H]4CCC[C@H](C)C4)CC3)n2)s1 ZINC000585262697 570320571 /nfs/dbraw/zinc/32/05/71/570320571.db2.gz UCBAKUVQBMKSLW-MAUKXSAKSA-N 0 0 398.576 5.122 40 0 GKABRN Cc1cnc(Nc2cccc(C3CCN(C(=O)[C@H]4CCC[C@H](C)C4)CC3)n2)s1 ZINC000585262699 570320630 /nfs/dbraw/zinc/32/06/30/570320630.db2.gz UCBAKUVQBMKSLW-YJBOKZPZSA-N 0 0 398.576 5.122 40 0 GKABRN COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000022531430 570320913 /nfs/dbraw/zinc/32/09/13/570320913.db2.gz NWDZKHJZBKBGOI-WZONZLPQSA-N 0 0 391.536 5.390 40 0 GKABRN Cc1cccc(C(C)C)c1NC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000022532594 570320919 /nfs/dbraw/zinc/32/09/19/570320919.db2.gz SLDYPPNUIITDBS-UHFFFAOYSA-N 0 0 382.356 6.297 40 0 GKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1cccc(Cl)c1 ZINC000022535343 570321468 /nfs/dbraw/zinc/32/14/68/570321468.db2.gz JNCYJLQSCMTDDP-IBGZPJMESA-N 0 0 391.964 5.164 40 0 GKABRN CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc54)c(N)c3cc2c1 ZINC000035313066 570324377 /nfs/dbraw/zinc/32/43/77/570324377.db2.gz QEGZRWVCQHMGDY-UHFFFAOYSA-N 0 0 387.508 5.358 40 0 GKABRN S=C(NCc1ccco1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408572749 570325305 /nfs/dbraw/zinc/32/53/05/570325305.db2.gz IAWSDBNCYVHFNM-UHFFFAOYSA-N 0 0 392.307 5.631 40 0 GKABRN O=C(OC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc21 ZINC000575598470 570327543 /nfs/dbraw/zinc/32/75/43/570327543.db2.gz FOBFXVSQNAVUMG-UHFFFAOYSA-N 0 0 384.495 5.302 40 0 in-vitro GKABRN Cc1ccccc1CNC(=S)c1cccc(OCc2ccccc2Cl)c1 ZINC000408574263 570327840 /nfs/dbraw/zinc/32/78/40/570327840.db2.gz LIZHLMYSYKWGFG-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000408574499 570328599 /nfs/dbraw/zinc/32/85/99/570328599.db2.gz RIBSRONARBZKLV-JLHYYAGUSA-N 0 0 392.886 5.852 40 0 GKABRN CCc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408576770 570329827 /nfs/dbraw/zinc/32/98/27/570329827.db2.gz RBIGEQBYSIAVMR-UHFFFAOYSA-N 0 0 395.955 5.947 40 0 GKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)N1CCCCC1 ZINC000408576726 570329931 /nfs/dbraw/zinc/32/99/31/570329931.db2.gz QRNRQLJOFJACOC-UHFFFAOYSA-N 0 0 398.330 5.873 40 0 GKABRN Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccco2)cc1 ZINC000408577197 570330244 /nfs/dbraw/zinc/33/02/44/570330244.db2.gz RVQFFKXDPWAJLO-UHFFFAOYSA-N 0 0 375.852 5.116 40 0 GKABRN COc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000408577889 570330288 /nfs/dbraw/zinc/33/02/88/570330288.db2.gz VLSYBXLPIZPWKB-UHFFFAOYSA-N 0 0 397.927 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CIRNWPXDWXFURY-UHFFFAOYSA-N 0 0 392.927 5.052 40 0 GKABRN CCOc1ccc(C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1Cl ZINC000223142857 570446794 /nfs/dbraw/zinc/44/67/94/570446794.db2.gz YQXCRDOUOIKXEV-IBGZPJMESA-N 0 0 375.896 5.265 40 0 GKABRN Clc1cc2[nH]c(-c3ccc(Br)cc3)nc2c(Br)c1 ZINC000226342975 570459913 /nfs/dbraw/zinc/45/99/13/570459913.db2.gz XUAKZUNAHSLFDS-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c2ccccc2)cc1 ZINC000223155068 570447371 /nfs/dbraw/zinc/44/73/71/570447371.db2.gz RSPXUJDNAGZFAL-OJWZXOLNSA-N 0 0 397.518 5.602 40 0 GKABRN O=C(Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl)c1ccccc1 ZINC000005601690 570448673 /nfs/dbraw/zinc/44/86/73/570448673.db2.gz QAUHDYPGDCBUDN-UHFFFAOYSA-N 0 0 385.250 5.498 40 0 GKABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000005610934 570448732 /nfs/dbraw/zinc/44/87/32/570448732.db2.gz OQRZXKXJZHOPST-JTQLQIEISA-N 0 0 397.327 5.339 40 0 GKABRN O=C(Nc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000005602436 570448753 /nfs/dbraw/zinc/44/87/53/570448753.db2.gz HUGJRGFIVDVFMA-UHFFFAOYSA-N 0 0 379.459 6.250 40 0 GKABRN Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)n1-c1ccccc1 ZINC000005612977 570448886 /nfs/dbraw/zinc/44/88/86/570448886.db2.gz VMLXKRGMYFUZMQ-CPNJWEJPSA-N 0 0 389.886 5.602 40 0 GKABRN O=C(CSCc1ccc(Cl)cc1F)NCCCc1ccccc1Cl ZINC000223202612 570449918 /nfs/dbraw/zinc/44/99/18/570449918.db2.gz BAZOCYUTXMUQND-UHFFFAOYSA-N 0 0 386.319 5.115 40 0 GKABRN CC[C@H](C)c1ccc(O)c(NC(=O)COc2c(C)cc(Cl)cc2Cl)c1 ZINC000005656586 570450379 /nfs/dbraw/zinc/45/03/79/570450379.db2.gz RKLGAGYNVROENJ-NSHDSACASA-N 0 0 382.287 5.538 40 0 GKABRN CC(C)CC(=O)[C@H]1[C@H](c2ccccc2)CC(=O)[C@H](C(C)C)[C@@H]1c1ccccc1 ZINC000005707141 570452272 /nfs/dbraw/zinc/45/22/72/570452272.db2.gz PMEIYUNEINNLCA-CPPMQADQSA-N 0 0 376.540 6.030 40 0 GKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCC2 ZINC000223244082 570452275 /nfs/dbraw/zinc/45/22/75/570452275.db2.gz PTKUCRAPUADJQC-CYBMUJFWSA-N 0 0 394.367 5.593 40 0 GKABRN C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCC2 ZINC000223244221 570452377 /nfs/dbraw/zinc/45/23/77/570452377.db2.gz CYWTXZTWDUHGRG-CYBMUJFWSA-N 0 0 394.367 5.593 40 0 GKABRN CC(C)(Cc1ccccc1)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000223246045 570452774 /nfs/dbraw/zinc/45/27/74/570452774.db2.gz JTAHWHSTAGPITH-UHFFFAOYSA-N 0 0 393.914 5.670 40 0 GKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223246486 570452825 /nfs/dbraw/zinc/45/28/25/570452825.db2.gz AZKRMZNZGZEFKI-SBUREZEXSA-N 0 0 379.544 5.508 40 0 GKABRN O=C(Nc1ccc(Cl)cc1Cl)/C(Cl)=C1/Sc2ccccc2NC1=O ZINC000005722531 570453082 /nfs/dbraw/zinc/45/30/82/570453082.db2.gz GVEAUJUYJNAZHM-YPKPFQOOSA-N 0 0 399.686 5.127 40 0 GKABRN Cc1c(NC(=O)c2cccc(Cl)c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000005724482 570453630 /nfs/dbraw/zinc/45/36/30/570453630.db2.gz UTSXHKGRUJQZAK-UHFFFAOYSA-N 0 0 397.261 6.362 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2C)cc1C(C)C ZINC000223267807 570454775 /nfs/dbraw/zinc/45/47/75/570454775.db2.gz GJINXHFHPJUWTK-GOSISDBHSA-N 0 0 385.573 5.546 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2C)cc1C(C)C ZINC000223267869 570454784 /nfs/dbraw/zinc/45/47/84/570454784.db2.gz GJINXHFHPJUWTK-SFHVURJKSA-N 0 0 385.573 5.546 40 0 GKABRN CCCOc1ccccc1CCCNC(=O)COc1cc(C)ccc1C(C)C ZINC000223275220 570455212 /nfs/dbraw/zinc/45/52/12/570455212.db2.gz BUMJNQXBJJFZCM-UHFFFAOYSA-N 0 0 383.532 5.035 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2ccccc2C)c2ccccc2O1 ZINC000223282948 570455812 /nfs/dbraw/zinc/45/58/12/570455812.db2.gz UUZZHNSPCCRWDV-HXUWFJFHSA-N 0 0 383.557 5.427 40 0 GKABRN CCc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccc(O)c(Br)c1)N2 ZINC000588228304 570456265 /nfs/dbraw/zinc/45/62/65/570456265.db2.gz QPLVWFKWAFFXKK-VHKYSDTDSA-N 0 0 388.305 5.352 40 0 GKABRN O=C(OCCCc1nc2cc3ccccc3cc2[nH]1)c1ccc(Cl)cc1Cl ZINC000005777944 570456385 /nfs/dbraw/zinc/45/63/85/570456385.db2.gz XIZPGHBLRVXTFT-UHFFFAOYSA-N 0 0 399.277 5.813 40 0 GKABRN Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2cccc(Cl)c2)c1 ZINC000223296298 570456676 /nfs/dbraw/zinc/45/66/76/570456676.db2.gz XEYMEZRQOMGMSV-UHFFFAOYSA-N 0 0 391.964 5.200 40 0 GKABRN O=C(N/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1)c1ccccc1 ZINC000005808824 570457352 /nfs/dbraw/zinc/45/73/52/570457352.db2.gz PYUKOOIRSSEDBH-RGEXLXHISA-N 0 0 390.895 5.878 40 0 GKABRN c1ccc(CSc2nnc3c(n2)O[C@@H](c2ccccc2)Nc2ccccc2-3)cc1 ZINC000005799924 570457378 /nfs/dbraw/zinc/45/73/78/570457378.db2.gz SWJIWLBAMUQYSE-NRFANRHFSA-N 0 0 398.491 5.334 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223310066 570457486 /nfs/dbraw/zinc/45/74/86/570457486.db2.gz WPERONNLCUMPGX-IBGZPJMESA-N 0 0 395.587 6.235 40 0 GKABRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 ZINC000005815154 570457764 /nfs/dbraw/zinc/45/77/64/570457764.db2.gz QMXPMBBKAZHXAY-RMKNXTFCSA-N 0 0 378.815 5.702 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223321612 570458047 /nfs/dbraw/zinc/45/80/47/570458047.db2.gz AUGACOFACXLBOD-JTSKRJEESA-N 0 0 399.531 5.170 40 0 GKABRN COc1ccc(OCCCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223320595 570458159 /nfs/dbraw/zinc/45/81/59/570458159.db2.gz ARYHKNIEWUTEPY-SFHVURJKSA-N 0 0 399.531 5.172 40 0 GKABRN CCc1cc2nc(C(c3ccccc3)c3ccccc3)oc2c(Br)c1 ZINC000226236623 570458887 /nfs/dbraw/zinc/45/88/87/570458887.db2.gz IQUBAOVSAHJKHK-UHFFFAOYSA-N 0 0 392.296 6.333 40 0 GKABRN Nc1c(Br)cc(Oc2cccc3ccccc32)cc1Br ZINC000226306786 570459408 /nfs/dbraw/zinc/45/94/08/570459408.db2.gz ZKRFMBMMBAPVLH-UHFFFAOYSA-N 0 0 393.078 5.739 40 0 GKABRN COc1ccc(OC)c(N[C@H](Cc2ccccc2)c2cccc3ccccc32)c1 ZINC000005853720 570459151 /nfs/dbraw/zinc/45/91/51/570459151.db2.gz JNUXTUHKHFAKQW-XMMPIXPASA-N 0 0 383.491 6.253 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223329103 570459091 /nfs/dbraw/zinc/45/90/91/570459091.db2.gz RSHQBMBXPFGAGQ-SFHVURJKSA-N 0 0 397.559 5.681 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 ZINC000223337956 570459654 /nfs/dbraw/zinc/45/96/54/570459654.db2.gz KNKQVPMGXLHWGQ-FQRUVTKNSA-N 0 0 399.534 5.547 40 0 GKABRN Clc1cc2[nH]c(-c3ccc(I)cc3)nc2c(Cl)c1 ZINC000226342960 570459780 /nfs/dbraw/zinc/45/97/80/570459780.db2.gz ZYHSQAHLTJSQIW-UHFFFAOYSA-N 0 0 389.023 5.141 40 0 GKABRN CCN(CC)c1ccc(-c2nc3cc(Cl)ccc3o2)cc1Br ZINC000226332176 570459944 /nfs/dbraw/zinc/45/99/44/570459944.db2.gz QIIMGXNSHQCMJH-UHFFFAOYSA-N 0 0 379.685 5.757 40 0 GKABRN CCc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223342426 570459975 /nfs/dbraw/zinc/45/99/75/570459975.db2.gz SAPMIKKZKAHXQG-QZTJIDSGSA-N 0 0 383.532 5.334 40 0 GKABRN COc1cc2ccccc2cc1C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223346393 570460428 /nfs/dbraw/zinc/46/04/28/570460428.db2.gz OTWOVAKOVFMJTJ-QGZVFWFLSA-N 0 0 391.511 5.780 40 0 GKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344404 570460455 /nfs/dbraw/zinc/46/04/55/570460455.db2.gz MOLPJBGIVJGSFC-KKSFZXQISA-N 0 0 387.495 5.301 40 0 GKABRN CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345762 570460464 /nfs/dbraw/zinc/46/04/64/570460464.db2.gz PICVRYWMJBHDSV-KNQAVFIVSA-N 0 0 397.559 5.779 40 0 GKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344346 570460465 /nfs/dbraw/zinc/46/04/65/570460465.db2.gz MOLPJBGIVJGSFC-HRAATJIYSA-N 0 0 387.495 5.301 40 0 GKABRN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352267 570460867 /nfs/dbraw/zinc/46/08/67/570460867.db2.gz YMQCANVJWKKOLF-UZLBHIALSA-N 0 0 387.495 5.301 40 0 GKABRN CC[C@H](Oc1ccc(C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223352407 570460941 /nfs/dbraw/zinc/46/09/41/570460941.db2.gz HVSMRIAAVZLKKY-AVRDEDQJSA-N 0 0 383.532 5.470 40 0 GKABRN O=C(/C=C/c1ccccc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000005899224 570461072 /nfs/dbraw/zinc/46/10/72/570461072.db2.gz YCGGPARUKDUVSX-NTEUORMPSA-N 0 0 376.843 5.244 40 0 GKABRN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000005901282 570461127 /nfs/dbraw/zinc/46/11/27/570461127.db2.gz QWUXHZDWUZNOHK-UHFFFAOYSA-N 0 0 394.279 5.587 40 0 GKABRN O=S(=O)(Oc1cc(Cl)ccc1Cl)c1ccc2c3c(cccc31)CC2 ZINC000226861843 570462049 /nfs/dbraw/zinc/46/20/49/570462049.db2.gz HHBSBFLSROTRCM-UHFFFAOYSA-N 0 0 379.264 5.013 40 0 GKABRN COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O ZINC000005941556 570462076 /nfs/dbraw/zinc/46/20/76/570462076.db2.gz JFDSYEICLRNAQR-UHFFFAOYSA-N 0 0 379.610 6.375 40 0 GKABRN CN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O ZINC000008091630 570462414 /nfs/dbraw/zinc/46/24/14/570462414.db2.gz IZJKFDVTNNYLQO-LZYBPNLTSA-N 0 0 394.279 5.239 40 0 GKABRN CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc(C)cc1C ZINC000223376522 570462688 /nfs/dbraw/zinc/46/26/88/570462688.db2.gz ZDCYNPBTYNKGOM-HXUWFJFHSA-N 0 0 389.561 5.173 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372582 570462776 /nfs/dbraw/zinc/46/27/76/570462776.db2.gz KTNBDFXMOYLBKD-SIKLNZKXSA-N 0 0 397.559 5.779 40 0 GKABRN CCOc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C)cc1 ZINC000005953651 570462894 /nfs/dbraw/zinc/46/28/94/570462894.db2.gz CAUHWENOYDPIFL-OCFBKWGLSA-N 0 0 383.491 5.567 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCCC2)cc1C(C)C ZINC000223381156 570463074 /nfs/dbraw/zinc/46/30/74/570463074.db2.gz SHBOCBZFVGSPRZ-IBGZPJMESA-N 0 0 379.544 5.816 40 0 GKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223379737 570463102 /nfs/dbraw/zinc/46/31/02/570463102.db2.gz WZSINWBEIKLMRA-XXBNENTESA-N 0 0 397.559 5.798 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C(C)C ZINC000223381020 570463203 /nfs/dbraw/zinc/46/32/03/570463203.db2.gz LXDUBVCLPPWJFO-IBGZPJMESA-N 0 0 395.543 5.053 40 0 GKABRN CC(C)c1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000223393173 570463591 /nfs/dbraw/zinc/46/35/91/570463591.db2.gz QPFGFAUBGHQLGH-UHFFFAOYSA-N 0 0 397.569 5.525 40 0 GKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223391177 570463636 /nfs/dbraw/zinc/46/36/36/570463636.db2.gz RFJCAXMJLDLTLY-CYBMUJFWSA-N 0 0 381.884 6.359 40 0 GKABRN COc1cc(C)c(C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C ZINC000223390512 570463646 /nfs/dbraw/zinc/46/36/46/570463646.db2.gz TZGKWXWMZZQLGK-GOSISDBHSA-N 0 0 397.559 6.058 40 0 GKABRN COc1ccc(/C=C(/C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c2ccccc2)cc1 ZINC000223400499 570463955 /nfs/dbraw/zinc/46/39/55/570463955.db2.gz UGOOYOOSQLLLSP-AZVXTCMLSA-N 0 0 399.534 6.038 40 0 GKABRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000006023165 570464419 /nfs/dbraw/zinc/46/44/19/570464419.db2.gz DHZIWPKXGMKJNC-LCBRTSMASA-N 0 0 386.664 7.677 40 0 GKABRN O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 ZINC000223406590 570464417 /nfs/dbraw/zinc/46/44/17/570464417.db2.gz SIHRCMLHKPFWKW-UHFFFAOYSA-N 0 0 381.884 6.111 40 0 GKABRN CCC(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000006026099 570464497 /nfs/dbraw/zinc/46/44/97/570464497.db2.gz YYXGQJIOOGUMOH-UHFFFAOYSA-N 0 0 394.283 5.025 40 0 GKABRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1C ZINC000006033460 570464573 /nfs/dbraw/zinc/46/45/73/570464573.db2.gz VFAJWZFUBMWVTP-UHFFFAOYSA-N 0 0 384.479 6.487 40 0 GKABRN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000006039218 570465029 /nfs/dbraw/zinc/46/50/29/570465029.db2.gz ISEGFLDTQYRPDG-UHFFFAOYSA-N 0 0 385.492 5.218 40 0 GKABRN O=C(COc1cccc2ccccc21)Nc1ccc(OCc2ccccc2)cc1 ZINC000006053073 570465295 /nfs/dbraw/zinc/46/52/95/570465295.db2.gz RVZKIGTYSNSBLX-UHFFFAOYSA-N 0 0 383.447 5.436 40 0 GKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006053051 570465395 /nfs/dbraw/zinc/46/53/95/570465395.db2.gz LAXMTLCRMDIZBB-LJQANCHMSA-N 0 0 397.474 5.825 40 0 GKABRN COc1ccc(/C=C(/C(=O)NCCc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000223426802 570465621 /nfs/dbraw/zinc/46/56/21/570465621.db2.gz GOWCKNWCQYKLPL-HAVVHWLPSA-N 0 0 391.898 5.248 40 0 GKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(Cl)cc1 ZINC000223425883 570465694 /nfs/dbraw/zinc/46/56/94/570465694.db2.gz GMBUIISRNQQWSW-QFIPXVFZSA-N 0 0 385.935 5.125 40 0 GKABRN O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Cl ZINC000006084363 570465673 /nfs/dbraw/zinc/46/56/73/570465673.db2.gz RGWSEVCLFVRUQE-UHFFFAOYSA-N 0 0 393.053 5.096 40 0 GKABRN COc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 ZINC000008106401 570465680 /nfs/dbraw/zinc/46/56/80/570465680.db2.gz WJBQXIFGYQKLDG-UHFFFAOYSA-N 0 0 399.107 5.497 40 0 GKABRN CSc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl ZINC000223435790 570466142 /nfs/dbraw/zinc/46/61/42/570466142.db2.gz LQNSIEQUSBUTJV-UHFFFAOYSA-N 0 0 382.721 5.170 40 0 GKABRN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1cccc2ccccc21 ZINC000035340244 570466572 /nfs/dbraw/zinc/46/65/72/570466572.db2.gz HBIPTWYNYDDVAS-PDGQHHTCSA-N 0 0 391.473 5.388 40 0 GKABRN CCCc1ccc(OCCNC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000223449325 570466724 /nfs/dbraw/zinc/46/67/24/570466724.db2.gz LJZUUQCSVORLFZ-LKUDQCMESA-N 0 0 385.507 5.375 40 0 GKABRN Cc1ccc(SCc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)cc1 ZINC000223457361 570466930 /nfs/dbraw/zinc/46/69/30/570466930.db2.gz BLYFNVFWLSLURT-UHFFFAOYSA-N 0 0 395.955 5.913 40 0 GKABRN CCc1ccc([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000223456819 570467070 /nfs/dbraw/zinc/46/70/70/570467070.db2.gz OBANVLSDPDVOCZ-AWEZNQCLSA-N 0 0 392.362 5.122 40 0 GKABRN Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3C)cc2)cc1 ZINC000223458027 570467594 /nfs/dbraw/zinc/46/75/94/570467594.db2.gz SJIJIDMESNEPTI-UHFFFAOYSA-N 0 0 391.536 5.405 40 0 GKABRN COc1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 ZINC000008168041 570468007 /nfs/dbraw/zinc/46/80/07/570468007.db2.gz BBXBJVBZYYGTKT-UHFFFAOYSA-N 0 0 392.238 5.426 40 0 GKABRN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000223489725 570468408 /nfs/dbraw/zinc/46/84/08/570468408.db2.gz AWSVTOFUDZBBMD-DEOSSOPVSA-N 0 0 393.527 5.683 40 0 GKABRN O=C(Nc1nc(SCc2ccc(F)cc2)ns1)Nc1ccccc1Cl ZINC000035314239 570468532 /nfs/dbraw/zinc/46/85/32/570468532.db2.gz RUUJWAZPSZZEHU-UHFFFAOYSA-N 0 0 394.884 5.267 40 0 GKABRN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1cccc2ccccc21 ZINC000223508458 570469050 /nfs/dbraw/zinc/46/90/50/570469050.db2.gz SOGCVEVGPAUIQY-OAHLLOKOSA-N 0 0 385.916 5.169 40 0 GKABRN COc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1Cl ZINC000223526280 570469669 /nfs/dbraw/zinc/46/96/69/570469669.db2.gz IFUPRXUQLWQWPD-JOCHJYFZSA-N 0 0 379.887 5.485 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)NCCOc2cccc3ccccc32)cc(C)c1Cl ZINC000223538980 570469967 /nfs/dbraw/zinc/46/99/67/570469967.db2.gz ZBSFQLXYYAJYDH-QGZVFWFLSA-N 0 0 397.902 5.073 40 0 GKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(C)cc1 ZINC000223535368 570470067 /nfs/dbraw/zinc/47/00/67/570470067.db2.gz RUKUWBLNLJKORN-HSZRJFAPSA-N 0 0 397.584 5.081 40 0 GKABRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(Br)ccc1Cl ZINC000006152123 570470361 /nfs/dbraw/zinc/47/03/61/570470361.db2.gz OFCPUODYMCASKM-UHFFFAOYSA-N 0 0 379.468 5.662 40 0 GKABRN O=C(NCCOc1cccc2ccccc21)c1ccccc1OCc1ccccc1 ZINC000223544108 570470419 /nfs/dbraw/zinc/47/04/19/570470419.db2.gz UXDXGXOPMJWCSR-UHFFFAOYSA-N 0 0 397.474 5.228 40 0 GKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)NCCOc1cccc2ccccc21 ZINC000223552118 570471158 /nfs/dbraw/zinc/47/11/58/570471158.db2.gz LKMZSSAMQAYILL-QHCPKHFHSA-N 0 0 399.490 5.346 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)COc1cccc2c1CCCC2)c1ccccc1 ZINC000223570378 570471994 /nfs/dbraw/zinc/47/19/94/570471994.db2.gz IVTIHYSZHLIIHX-SANMLTNESA-N 0 0 385.507 5.158 40 0 GKABRN CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1cccc2ccccc21 ZINC000223571647 570471999 /nfs/dbraw/zinc/47/19/99/570471999.db2.gz WKQRWPOVYAVPCE-OAQYLSRUSA-N 0 0 397.902 5.154 40 0 GKABRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000006215662 570472230 /nfs/dbraw/zinc/47/22/30/570472230.db2.gz UZZYTBLTAALOLY-UHFFFAOYSA-N 0 0 387.357 5.515 40 0 GKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000006222837 570472540 /nfs/dbraw/zinc/47/25/40/570472540.db2.gz WEDXHDYUCMRKQT-SFHVURJKSA-N 0 0 382.290 5.938 40 0 GKABRN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000006222835 570472663 /nfs/dbraw/zinc/47/26/63/570472663.db2.gz WEDXHDYUCMRKQT-GOSISDBHSA-N 0 0 382.290 5.938 40 0 GKABRN CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000223587896 570473185 /nfs/dbraw/zinc/47/31/85/570473185.db2.gz NFZNELIBAKFNNY-KBXCAEBGSA-N 0 0 377.937 5.405 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000223587950 570473282 /nfs/dbraw/zinc/47/32/82/570473282.db2.gz NFZNELIBAKFNNY-KSSFIOAISA-N 0 0 377.937 5.405 40 0 GKABRN CC(C)(C)c1ccc(CCC(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000223605515 570473707 /nfs/dbraw/zinc/47/37/07/570473707.db2.gz BKWWKEHSZWADBX-UHFFFAOYSA-N 0 0 375.512 5.265 40 0 GKABRN O=C(NCCOc1ccc2ccccc2c1)c1cc2c(ccc3ccccc23)o1 ZINC000223604771 570473736 /nfs/dbraw/zinc/47/37/36/570473736.db2.gz SLVMURBLVVOFBC-UHFFFAOYSA-N 0 0 381.431 5.548 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)NCCOc2ccc3ccccc3c2)cc(C)c1Cl ZINC000223609629 570474033 /nfs/dbraw/zinc/47/40/33/570474033.db2.gz WWTHEOCHHOYXKJ-QGZVFWFLSA-N 0 0 397.902 5.073 40 0 GKABRN CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2O1 ZINC000223608763 570474069 /nfs/dbraw/zinc/47/40/69/570474069.db2.gz 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CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(C)cc1C ZINC000223708477 570480591 /nfs/dbraw/zinc/48/05/91/570480591.db2.gz DUJLHKZRXSKUNP-DNQXCXABSA-N 0 0 379.544 5.607 40 0 GKABRN CCN(C(=O)Nc1ccc(Cl)cc1)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000006462961 570480619 /nfs/dbraw/zinc/48/06/19/570480619.db2.gz BAQAHLRUUZNJOC-ZDUSSCGKSA-N 0 0 384.829 5.844 40 0 GKABRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1 ZINC000006449759 570480704 /nfs/dbraw/zinc/48/07/04/570480704.db2.gz MVVQUAYOIGIRNJ-INIZCTEOSA-N 0 0 384.479 6.569 40 0 GKABRN S=C(Nc1ccc(Cl)cc1)N(CCc1ccccc1)Cc1ccccc1 ZINC000006474928 570481046 /nfs/dbraw/zinc/48/10/46/570481046.db2.gz WNIBUSGXCXBSHM-UHFFFAOYSA-N 0 0 380.944 5.782 40 0 GKABRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000006501952 570481744 /nfs/dbraw/zinc/48/17/44/570481744.db2.gz QUIVCCIWHLWFFF-UHFFFAOYSA-N 0 0 398.531 6.655 40 0 GKABRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(Cl)cc1 ZINC000006496536 570481847 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COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000223790123 570484690 /nfs/dbraw/zinc/48/46/90/570484690.db2.gz DQASOMXBJQGTNY-VGOFMYFVSA-N 0 0 393.512 5.163 40 0 GKABRN Cc1ccc([C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)c2ccccc2)c(C)c1 ZINC000223792776 570484784 /nfs/dbraw/zinc/48/47/84/570484784.db2.gz WBEXQGDLFDRESY-RUZDIDTESA-N 0 0 395.506 5.068 40 0 GKABRN COc1cccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1 ZINC000000828158 570485951 /nfs/dbraw/zinc/48/59/51/570485951.db2.gz RPZJNYADGKIDGQ-UHFFFAOYSA-N 0 0 389.561 5.866 40 0 GKABRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3C)sc2c1 ZINC000006654486 570486076 /nfs/dbraw/zinc/48/60/76/570486076.db2.gz XKXGODDLYUJFLK-UHFFFAOYSA-N 0 0 397.569 5.383 40 0 GKABRN O=C(Nc1ccc(F)cc1F)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030057085 570486194 /nfs/dbraw/zinc/48/61/94/570486194.db2.gz KTEXARBSOSRUOU-UHFFFAOYSA-N 0 0 376.362 5.539 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000223855733 570487590 /nfs/dbraw/zinc/48/75/90/570487590.db2.gz NWTXEAZRPLMUJM-XLIONFOSSA-N 0 0 381.516 5.304 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C)c2ccccc2O1 ZINC000223897722 570489184 /nfs/dbraw/zinc/48/91/84/570489184.db2.gz FFVPKXGJRLPNIF-ICSRJNTNSA-N 0 0 381.516 5.270 40 0 GKABRN CCc1cccc(CC)c1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000223910180 570489736 /nfs/dbraw/zinc/48/97/36/570489736.db2.gz SZVMBPDTCFVXBZ-UHFFFAOYSA-N 0 0 375.534 5.053 40 0 GKABRN Cc1cccc([C@H](NC(=O)COc2cccc3c2CCCC3)c2ccccc2)c1 ZINC000223925484 570490553 /nfs/dbraw/zinc/49/05/53/570490553.db2.gz UEDXRJWAKRPTFE-AREMUKBSSA-N 0 0 385.507 5.158 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000840441 570490652 /nfs/dbraw/zinc/49/06/52/570490652.db2.gz RERNEOAPIUYLOL-SECBINFHSA-N 0 0 378.177 5.418 40 0 GKABRN Cc1ccc(Nc2ccc(NC(=S)NCc3ccccc3Cl)cn2)cc1 ZINC000223936392 570490808 /nfs/dbraw/zinc/49/08/08/570490808.db2.gz NNIIWUZXXALMLG-UHFFFAOYSA-N 0 0 382.920 5.274 40 0 GKABRN Cc1ccc(CNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 ZINC000223944777 570491444 /nfs/dbraw/zinc/49/14/44/570491444.db2.gz BWAHOXHVSLDHNJ-UHFFFAOYSA-N 0 0 399.972 5.681 40 0 GKABRN O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000000843703 570492752 /nfs/dbraw/zinc/49/27/52/570492752.db2.gz YVHIKTMZXYVLIU-VMPITWQZSA-N 0 0 399.233 6.047 40 0 GKABRN Cc1cc2nc(-c3cc(NC(=O)/C=C/c4ccco4)ccc3Cl)oc2cc1C ZINC000000843740 570492817 /nfs/dbraw/zinc/49/28/17/570492817.db2.gz FLZIFDBNIIZBSC-SOFGYWHQSA-N 0 0 392.842 6.010 40 0 GKABRN Clc1ccc(OCc2ccccc2Cl)c(CNc2ccccc2Cl)c1 ZINC000008380279 570493015 /nfs/dbraw/zinc/49/30/15/570493015.db2.gz PUMMZIVXBWGDML-UHFFFAOYSA-N 0 0 392.713 6.838 40 0 GKABRN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000006792886 570493265 /nfs/dbraw/zinc/49/32/65/570493265.db2.gz PLRSGCMXKIJPES-UHFFFAOYSA-N 0 0 394.858 5.188 40 0 GKABRN COc1ccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000006793586 570493336 /nfs/dbraw/zinc/49/33/36/570493336.db2.gz KROCOEFYLCVILK-UHFFFAOYSA-N 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ZINC000010542799 570791557 /nfs/dbraw/zinc/79/15/57/570791557.db2.gz CRYKRLLSPBIYQF-UHFFFAOYSA-N 0 0 383.900 5.893 40 0 GKABRN C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000004655222 570808556 /nfs/dbraw/zinc/80/85/56/570808556.db2.gz REWKEGSQGOSEES-AEFAGOJLSA-N 0 0 398.587 6.010 40 0 GKABRN CCCC[C@@H]1OC[C@]2(COC(=O)NC3CCCCC3)[C@H](C)[C@H]1C(C)=C[C@@H]2C ZINC000012654064 570809906 /nfs/dbraw/zinc/80/99/06/570809906.db2.gz ZCVMKZFWHFZXQT-JUJSEWBNSA-N 0 0 377.569 5.469 40 0 GKABRN Cc1cccc2cc3c(nc12)O[C@H](c1ccccc1)CN(Cc1ccccc1)C3 ZINC000013563883 570852475 /nfs/dbraw/zinc/85/24/75/570852475.db2.gz KUMFVXMMMKWOLG-DEOSSOPVSA-N 0 0 380.491 5.679 40 0 GKABRN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000014739392 570857923 /nfs/dbraw/zinc/85/79/23/570857923.db2.gz RLWFOEGYRJBEAV-AWEZNQCLSA-N 0 0 376.294 5.287 40 0 GKABRN COc1ccc(CN(Cc2ccncc2)Cc2cccc(OC(C)C)c2)cc1 ZINC000013989191 570868346 /nfs/dbraw/zinc/86/83/46/570868346.db2.gz GTSIEJWFWXPUHX-UHFFFAOYSA-N 0 0 376.500 5.080 40 0 GKABRN CCOc1ccccc1/N=c1\ssc2c1-c1cc(C)c(C)cc1NC2(C)C ZINC000015057288 570874066 /nfs/dbraw/zinc/87/40/66/570874066.db2.gz MIEXRJINQLIEEV-LNVKXUELSA-N 0 0 396.581 6.385 40 0 GKABRN CCCCCCOc1ccc(C(=O)Nc2ccccc2Br)cc1 ZINC000014028243 570876526 /nfs/dbraw/zinc/87/65/26/570876526.db2.gz WRMFNQSQDVXTOD-UHFFFAOYSA-N 0 0 376.294 5.661 40 0 GKABRN O=C(COc1ccccc1)c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000014135924 570877160 /nfs/dbraw/zinc/87/71/60/570877160.db2.gz GIYLDXVYLBHJNC-UHFFFAOYSA-N 0 0 389.426 5.121 40 0 GKABRN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132487 570877265 /nfs/dbraw/zinc/87/72/65/570877265.db2.gz RVNZOROOQYRNHB-YBFXNURJSA-N 0 0 395.867 5.435 40 0 GKABRN CCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000014132417 570877403 /nfs/dbraw/zinc/87/74/03/570877403.db2.gz WOUVXCIDDCMBSS-KGENOOAVSA-N 0 0 389.476 5.475 40 0 GKABRN CC(C)(C)c1ccc(C(=O)Nc2cc(NC3CCCCC3)c(N)cc2Cl)cc1 ZINC000072229189 570878535 /nfs/dbraw/zinc/87/85/35/570878535.db2.gz WHFWALZIQFVKSS-UHFFFAOYSA-N 0 0 399.966 6.217 40 0 GKABRN C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(Nc4ccccc4S3)c3cccc1c32 ZINC000014162496 570878632 /nfs/dbraw/zinc/87/86/32/570878632.db2.gz GEUKFIMZNYBNFY-IQMFZBJNSA-N 0 0 376.525 5.614 40 0 GKABRN Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3s2)n1 ZINC000072229791 570878676 /nfs/dbraw/zinc/87/86/76/570878676.db2.gz FSUVQYQLAPRUAH-UHFFFAOYSA-N 0 0 382.876 5.005 40 0 GKABRN Cc1ccc(C)c(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 ZINC000072242822 570878907 /nfs/dbraw/zinc/87/89/07/570878907.db2.gz ZVJWMCJENYDDLP-UHFFFAOYSA-N 0 0 399.450 5.038 40 0 GKABRN N=c1c2ccccc2nc2n1N(c1ccccc1)[C@@H](c1ccc(Cl)cc1)S2 ZINC000014165320 570879205 /nfs/dbraw/zinc/87/92/05/570879205.db2.gz NWYXWGKDYLKMRB-HXUWFJFHSA-N 0 0 390.899 5.243 40 0 GKABRN Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 ZINC000014154200 570879727 /nfs/dbraw/zinc/87/97/27/570879727.db2.gz GYYRIYCGLRYETI-UHFFFAOYSA-N 0 0 381.928 6.501 40 0 GKABRN Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014154519 570879768 /nfs/dbraw/zinc/87/97/68/570879768.db2.gz JLAGXNSUOUFOTG-UHFFFAOYSA-N 0 0 381.928 6.501 40 0 GKABRN O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1 ZINC000014291501 570882063 /nfs/dbraw/zinc/88/20/63/570882063.db2.gz JTAPSZIVNJMSER-UHFFFAOYSA-N 0 0 389.929 5.433 40 0 GKABRN Cc1cc(O[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)cc(C)c1Cl ZINC000014396766 570882859 /nfs/dbraw/zinc/88/28/59/570882859.db2.gz DIOCKLKFYWLSDE-GOSISDBHSA-N 0 0 385.935 5.205 40 0 GKABRN COc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000014397491 570883186 /nfs/dbraw/zinc/88/31/86/570883186.db2.gz SOLMKUKNQNSVCI-QGZVFWFLSA-N 0 0 393.508 5.394 40 0 GKABRN Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000014397493 570883203 /nfs/dbraw/zinc/88/32/03/570883203.db2.gz RJOJVMXLVAGLIP-QGZVFWFLSA-N 0 0 391.964 5.082 40 0 GKABRN O=C(c1ccc(N2CCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000014397661 570883281 /nfs/dbraw/zinc/88/32/81/570883281.db2.gz MWFDHFKZMJGVBR-UHFFFAOYSA-N 0 0 384.523 5.520 40 0 GKABRN Cc1ccc(CSCCNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000014398493 570883536 /nfs/dbraw/zinc/88/35/36/570883536.db2.gz GJMNIPWUMIWQKP-GOSISDBHSA-N 0 0 385.573 5.109 40 0 GKABRN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000014398632 570883962 /nfs/dbraw/zinc/88/39/62/570883962.db2.gz HEEALQQKMFKVCO-UHFFFAOYSA-N 0 0 382.813 5.601 40 0 GKABRN Cc1cc(C)cc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000014398902 570884110 /nfs/dbraw/zinc/88/41/10/570884110.db2.gz HAOSBOIHPDOCLS-UHFFFAOYSA-N 0 0 398.355 5.039 40 0 GKABRN COc1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(OC)cc1Cl ZINC000014399107 570884118 /nfs/dbraw/zinc/88/41/18/570884118.db2.gz UXRJZJOUYZNZDP-GFCCVEGCSA-N 0 0 398.286 5.033 40 0 GKABRN FC(F)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000036615408 570886285 /nfs/dbraw/zinc/88/62/85/570886285.db2.gz IRXWYJFJUKSNLL-UHFFFAOYSA-N 0 0 395.840 6.556 40 0 GKABRN COc1ccc(OCCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000014400340 570891821 /nfs/dbraw/zinc/89/18/21/570891821.db2.gz FZQPHZCHMOUIDU-UHFFFAOYSA-N 0 0 388.678 5.453 40 0 GKABRN O=C(COc1ccc(C2SCCS2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000019170966 570891179 /nfs/dbraw/zinc/89/11/79/570891179.db2.gz FZJFQAPHPFVICO-UHFFFAOYSA-N 0 0 399.459 5.202 40 0 GKABRN Cc1cccc(CSCCNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1 ZINC000014400637 570891886 /nfs/dbraw/zinc/89/18/86/570891886.db2.gz HHXBIFXIZWNKKX-SFHVURJKSA-N 0 0 385.573 5.109 40 0 GKABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000014400822 570891937 /nfs/dbraw/zinc/89/19/37/570891937.db2.gz PLGUWZFUTNNQAG-MRXNPFEDSA-N 0 0 388.678 5.452 40 0 GKABRN Cc1cc(O[C@@H](C)C(=O)NCCSc2ccc(Cl)cc2)cc(C)c1Cl ZINC000014400376 570891957 /nfs/dbraw/zinc/89/19/57/570891957.db2.gz SNCLRRQYNXOHMR-AWEZNQCLSA-N 0 0 398.355 5.286 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(F)cc3)ccc21 ZINC000014400538 570891995 /nfs/dbraw/zinc/89/19/95/570891995.db2.gz REMUZPQMOMWKQX-HNNXBMFYSA-N 0 0 376.431 5.360 40 0 GKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2)C[C@H]3c2ccncc2)cc1 ZINC000014607117 570893053 /nfs/dbraw/zinc/89/30/53/570893053.db2.gz UTABTTHEOLBRGK-QHCPKHFHSA-N 0 0 394.478 5.376 40 0 GKABRN COc1ccccc1C1=Nc2c(-c3ccccc3)c(C)nn2[C@@H](c2ccncc2)C1 ZINC000014607590 570893756 /nfs/dbraw/zinc/89/37/56/570893756.db2.gz NOZORQVDCMVIMB-JOCHJYFZSA-N 0 0 394.478 5.376 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1 ZINC000014649179 570893957 /nfs/dbraw/zinc/89/39/57/570893957.db2.gz MSWUAMLMJMTRLQ-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cc(C)ccc1C ZINC000014649249 570894065 /nfs/dbraw/zinc/89/40/65/570894065.db2.gz VFCDJTJPLVPXJD-UHFFFAOYSA-N 0 0 376.294 5.497 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1C ZINC000014649261 570894073 /nfs/dbraw/zinc/89/40/73/570894073.db2.gz DCAINBISSQOWMX-UHFFFAOYSA-N 0 0 396.712 5.842 40 0 GKABRN CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Cl ZINC000014649193 570894129 /nfs/dbraw/zinc/89/41/29/570894129.db2.gz MPEYVRHTQMYWSR-UHFFFAOYSA-N 0 0 382.685 5.534 40 0 GKABRN CCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000014654383 570894425 /nfs/dbraw/zinc/89/44/25/570894425.db2.gz ZIBSQBLNWSMRAF-UHFFFAOYSA-N 0 0 389.076 5.407 40 0 GKABRN CN1c2ccccc2C(=C2c3ccccc3N(C)c3ccccc32)c2ccccc21 ZINC000003852260 570894714 /nfs/dbraw/zinc/89/47/14/570894714.db2.gz CRHZVLQAEXLPMY-UHFFFAOYSA-N 0 0 386.498 6.857 40 0 GKABRN CCOC(=O)[C@@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004886773 570897468 /nfs/dbraw/zinc/89/74/68/570897468.db2.gz IKMOAJOLEDRWLL-YTQUADARSA-N 0 0 377.267 5.013 40 0 GKABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc2ccccc21 ZINC000015577697 570897562 /nfs/dbraw/zinc/89/75/62/570897562.db2.gz CIGZMUQEUIAWAE-UHFFFAOYSA-N 0 0 377.831 5.115 40 0 GKABRN O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000014833528 570899232 /nfs/dbraw/zinc/89/92/32/570899232.db2.gz BEWWQYGUOWNVPW-SDNWHVSQSA-N 0 0 382.891 5.008 40 0 GKABRN CC(/C=C/C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C\C(=O)Nc1ccc(O)cc1 ZINC000097974644 570901310 /nfs/dbraw/zinc/90/13/10/570901310.db2.gz AKJHMTWEGVYYSE-QMWRAGSKSA-N 0 0 391.555 6.862 40 0 GKABRN O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSc1ccc(Cl)cc1 ZINC000020240059 570905062 /nfs/dbraw/zinc/90/50/62/570905062.db2.gz PUQQDOUNHGFCRU-KRXBUXKQSA-N 0 0 386.731 5.569 40 0 GKABRN O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(Br)c1 ZINC000015539155 570906804 /nfs/dbraw/zinc/90/68/04/570906804.db2.gz QUDBVORKDQSZEI-UHFFFAOYSA-N 0 0 378.575 5.374 40 0 GKABRN Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000016045102 570909691 /nfs/dbraw/zinc/90/96/91/570909691.db2.gz FXVOSWNKQHJNJC-ITSWEJNFSA-N 0 0 398.572 5.528 40 0 GKABRN Clc1ccc(COc2ccccc2CNc2ccccc2Cl)c(Cl)c1 ZINC000033746743 570910653 /nfs/dbraw/zinc/91/06/53/570910653.db2.gz UWTKBJOPQAAYSY-UHFFFAOYSA-N 0 0 392.713 6.838 40 0 GKABRN Fc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000016282098 570912727 /nfs/dbraw/zinc/91/27/27/570912727.db2.gz KMOYEJHUOLKWMX-UHFFFAOYSA-N 0 0 390.487 5.193 40 0 GKABRN Cc1ccc2nc(-c3ccc(CNC(=O)c4cccc5ccccc54)cc3)oc2c1 ZINC000016348658 570912738 /nfs/dbraw/zinc/91/27/38/570912738.db2.gz BUAIPVBNILWQBC-UHFFFAOYSA-N 0 0 392.458 5.886 40 0 GKABRN COc1c(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)ccc2ccccc21 ZINC000016194659 570917113 /nfs/dbraw/zinc/91/71/13/570917113.db2.gz XLTHSRNGBJQYBE-UHFFFAOYSA-N 0 0 395.418 5.304 40 0 GKABRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1Cl ZINC000017078022 570917314 /nfs/dbraw/zinc/91/73/14/570917314.db2.gz WCQBTUUMYPLQCW-UHFFFAOYSA-N 0 0 381.642 6.264 40 0 GKABRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)ccc3C)o2)cc1Cl ZINC000017078781 570917616 /nfs/dbraw/zinc/91/76/16/570917616.db2.gz SNELJMSJHZBLAM-CSKARUKUSA-N 0 0 386.278 6.522 40 0 GKABRN Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3N)c3ccc(C)cc32)cc1 ZINC000017078724 570917778 /nfs/dbraw/zinc/91/77/78/570917778.db2.gz UNUMBVLLNNVGRP-FDDCHVKYSA-N 0 0 385.511 5.478 40 0 GKABRN O=C(/C=C/c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017079834 570918550 /nfs/dbraw/zinc/91/85/50/570918550.db2.gz WQQIXYHUZKHTKV-JLHYYAGUSA-N 0 0 390.895 6.269 40 0 GKABRN Cc1ccc(-c2ccc(/C=C/C(=O)NC3C4CC5CC(C4)CC3C5)o2)cc1Cl ZINC000017080944 570919011 /nfs/dbraw/zinc/91/90/11/570919011.db2.gz CNARNTPOLNLGFY-FNORWQNLSA-N 0 0 395.930 5.863 40 0 GKABRN Cc1cc2nc(-c3cc(I)ccc3Cl)oc2c(C)c1 ZINC000016268709 570920132 /nfs/dbraw/zinc/92/01/32/570920132.db2.gz AWTFPZDVYSNVOY-UHFFFAOYSA-N 0 0 383.616 5.370 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1)[C@H]2O ZINC000118916213 570920897 /nfs/dbraw/zinc/92/08/97/570920897.db2.gz UJAGXNQAAJDDLR-GCNNHMLWSA-N 0 0 378.556 5.365 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1F)[C@H]2O ZINC000118916369 570921118 /nfs/dbraw/zinc/92/11/18/570921118.db2.gz KSPVZBIZOLYUPJ-JXRCMUMOSA-N 0 0 382.563 6.613 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@H]2O ZINC000118916269 570921127 /nfs/dbraw/zinc/92/11/27/570921127.db2.gz PJVYRWWVEKBKTG-JXRCMUMOSA-N 0 0 399.018 7.127 40 0 GKABRN Cc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000118916275 570921173 /nfs/dbraw/zinc/92/11/73/570921173.db2.gz YQAACLVVEFBSCE-GWNLYAIISA-N 0 0 378.600 6.782 40 0 GKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118925616 570921595 /nfs/dbraw/zinc/92/15/95/570921595.db2.gz HDXFKPPIKDSQGU-OCZXYDQXSA-N 0 0 388.592 5.372 40 0 GKABRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5ccco5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118928969 570921730 /nfs/dbraw/zinc/92/17/30/570921730.db2.gz KYSVLWJXZYLYCR-ZYCZNCTCSA-N 0 0 384.516 5.417 40 0 GKABRN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Br)o3)nc2c1 ZINC000085345387 570923285 /nfs/dbraw/zinc/92/32/85/570923285.db2.gz CGPROJMWPOZYOG-UHFFFAOYSA-N 0 0 387.664 6.214 40 0 GKABRN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004063415 570928215 /nfs/dbraw/zinc/92/82/15/570928215.db2.gz IMNIZYXAQQBADI-RZKYKNJSSA-N 0 0 388.592 5.516 40 0 biogenic GKABRN CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757634 570932879 /nfs/dbraw/zinc/93/28/79/570932879.db2.gz DGKMEKMAMZCKEC-QGZVFWFLSA-N 0 0 387.508 5.547 40 0 GKABRN CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000016757632 570932986 /nfs/dbraw/zinc/93/29/86/570932986.db2.gz DGKMEKMAMZCKEC-KRWDZBQOSA-N 0 0 387.508 5.547 40 0 GKABRN CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758016 570933176 /nfs/dbraw/zinc/93/31/76/570933176.db2.gz YFESXBVZZUJZET-UHFFFAOYSA-N 0 0 393.943 6.551 40 0 GKABRN Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc(Br)c3)oc21 ZINC000226270676 570935571 /nfs/dbraw/zinc/93/55/71/570935571.db2.gz GACPNPVDITXSLA-UHFFFAOYSA-N 0 0 399.166 5.067 40 0 GKABRN c1csc([C@H](c2nnnn2C2CCCCC2)N2CCCC3(CCCCC3)C2)c1 ZINC000020098408 570940794 /nfs/dbraw/zinc/94/07/94/570940794.db2.gz PCOIWUIPQJCYFR-HXUWFJFHSA-N 0 0 399.608 5.376 40 0 aggregator GKABRN Cc1cc(Br)ccc1/N=c1\scc(-c2ccc(Cl)cc2)n1C ZINC000017124363 570941759 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GKABRN CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)cc1OCC ZINC000030854541 221704344 /nfs/dbraw/zinc/70/43/44/221704344.db2.gz HMNKXLKIYXPTBA-UYAOXDASSA-N 0 0 399.531 5.136 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1cccc(C)c1 ZINC000030869361 221705826 /nfs/dbraw/zinc/70/58/26/221705826.db2.gz XRTMSHHEGWPGMJ-HSZRJFAPSA-N 0 0 393.552 5.355 40 0 GKABRN Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000032609764 221724457 /nfs/dbraw/zinc/72/44/57/221724457.db2.gz GYDIVHMWMBCJMJ-MOPGFXCFSA-N 0 0 397.881 5.083 40 0 GKABRN Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000040227545 221917067 /nfs/dbraw/zinc/91/70/67/221917067.db2.gz BJJLBNKOMTXRTG-UHFFFAOYSA-N 0 0 391.906 5.818 40 0 GKABRN CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000044903073 221955955 /nfs/dbraw/zinc/95/59/55/221955955.db2.gz VSFKOWKDXVCIID-HNNXBMFYSA-N 0 0 375.749 5.294 40 0 GKABRN CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(Br)c2ccccc21 ZINC000054363231 222013907 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Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358090 222239801 /nfs/dbraw/zinc/23/98/01/222239801.db2.gz CXGKYDVSWQEUBJ-LJQANCHMSA-N 0 0 397.931 5.068 40 0 GKABRN Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 ZINC000072358091 222240136 /nfs/dbraw/zinc/24/01/36/222240136.db2.gz CXGKYDVSWQEUBJ-IBGZPJMESA-N 0 0 397.931 5.068 40 0 GKABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 ZINC000072380254 222244766 /nfs/dbraw/zinc/24/47/66/222244766.db2.gz OIVZQDNEDQNHNC-GOSISDBHSA-N 0 0 386.282 5.361 40 0 GKABRN COc1ccc(CNc2nc(-c3cccc(C)c3)cc3ccc(N(C)C)cc32)cc1 ZINC000095080596 222329037 /nfs/dbraw/zinc/32/90/37/222329037.db2.gz TZPJOBZNMIFLFF-UHFFFAOYSA-N 0 0 397.522 5.897 40 0 GKABRN CCOc1ccc(-c2nnc(-c3ccc(OCC)c(Cl)c3)o2)cc1Cl ZINC000073634443 222270687 /nfs/dbraw/zinc/27/06/87/222270687.db2.gz KFELEJNUOIUXOF-UHFFFAOYSA-N 0 0 379.243 5.508 40 0 GKABRN Cc1cccc(-c2nc3cc(Br)c(N)c(Br)c3o2)c1C ZINC000073639997 222270771 /nfs/dbraw/zinc/27/07/71/222270771.db2.gz 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/nfs/dbraw/zinc/25/82/52/570258252.db2.gz AVAAWRAIATXZRY-GOSISDBHSA-N 0 0 377.937 5.023 40 0 GKABRN CCCCn1nc(C)c2c1nc(-c1cccc(OC(F)F)c1)cc2C(F)(F)F ZINC000017081662 570258268 /nfs/dbraw/zinc/25/82/68/570258268.db2.gz NBKNLQCCQUGFFP-UHFFFAOYSA-N 0 0 399.363 5.827 40 0 GKABRN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1F ZINC000020454721 570258658 /nfs/dbraw/zinc/25/86/58/570258658.db2.gz CKQRKRYYCAQWDD-GOSISDBHSA-N 0 0 397.968 5.399 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020454731 570258703 /nfs/dbraw/zinc/25/87/03/570258703.db2.gz OZTJERIXJYUDJQ-FCHUYYIVSA-N 0 0 383.532 5.373 40 0 GKABRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)Nc3ccccc3)c2)cc1 ZINC000020456929 570259471 /nfs/dbraw/zinc/25/94/71/570259471.db2.gz JLALYLJAIRXOKN-UHFFFAOYSA-N 0 0 388.536 6.024 40 0 GKABRN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000020456933 570259598 /nfs/dbraw/zinc/25/95/98/570259598.db2.gz DTKXTYSVOZZHOJ-UHFFFAOYSA-N 0 0 376.887 5.463 40 0 GKABRN 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/nfs/dbraw/zinc/26/30/33/570263033.db2.gz MDNXYQBSRQSYFM-XMMPIXPASA-N 0 0 387.523 5.690 40 0 GKABRN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000020491557 570263085 /nfs/dbraw/zinc/26/30/85/570263085.db2.gz KCXJOLBBCYPGMA-ZDUSSCGKSA-N 0 0 396.712 5.434 40 0 GKABRN Cc1ccc(SCCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1 ZINC000020491184 570263115 /nfs/dbraw/zinc/26/31/15/570263115.db2.gz QZZNXBFYMATDFW-XMMPIXPASA-N 0 0 375.537 5.691 40 0 GKABRN O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1SCc1ccccc1 ZINC000020492585 570263537 /nfs/dbraw/zinc/26/35/37/570263537.db2.gz GGXXGWAXLPLSPP-UHFFFAOYSA-N 0 0 399.519 5.095 40 0 GKABRN COc1ccc([C@@H](CC(C)C)NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000020493757 570263553 /nfs/dbraw/zinc/26/35/53/570263553.db2.gz OCWVAJKMQCWJFW-JOCHJYFZSA-N 0 0 387.479 6.112 40 0 GKABRN CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000020493648 570263565 /nfs/dbraw/zinc/26/35/65/570263565.db2.gz HNNADGYEKBFKLR-GOTSBHOMSA-N 0 0 393.914 5.712 40 0 GKABRN 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CC(C)O[C@@]1(c2ccccc2)c2cccc3cccc(c23)[C@@]1(O)c1ccccc1 ZINC000001654145 570266927 /nfs/dbraw/zinc/26/69/27/570266927.db2.gz YEGPRFYUWBKTTO-SVBPBHIXSA-N 0 0 380.487 5.758 40 0 GKABRN Cc1c2cc(C(C)(C)c3ccccc3)ccc2n(C)c1C(C)(C)c1ccccc1 ZINC000001691941 570267134 /nfs/dbraw/zinc/26/71/34/570267134.db2.gz NGHUFWGHBRTDAR-UHFFFAOYSA-N 0 0 381.563 7.139 40 0 GKABRN S=C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1 ZINC000001732675 570267544 /nfs/dbraw/zinc/26/75/44/570267544.db2.gz IDEZLPMZZCWGFY-UHFFFAOYSA-N 0 0 376.578 6.075 40 0 GKABRN CC(C)(C)c1ccc(OCCSCCOc2ccc(C(C)(C)C)cc2)cc1 ZINC000001759997 570268268 /nfs/dbraw/zinc/26/82/68/570268268.db2.gz ISTHAAZYGYTCJZ-UHFFFAOYSA-N 0 0 386.601 6.473 40 0 GKABRN COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000035075074 570269860 /nfs/dbraw/zinc/26/98/60/570269860.db2.gz UCDRIKWCDKMVFA-RRZWCTDGSA-N 0 0 394.599 6.482 40 0 GKABRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1 ZINC000001940156 570270557 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CCOc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000020796655 570280629 /nfs/dbraw/zinc/28/06/29/570280629.db2.gz BSWMZAJRWBNVGU-UHFFFAOYSA-N 0 0 393.462 5.309 40 0 GKABRN COc1ccc(-n2nc(Nc3ccc(C)cc3C)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796863 570280632 /nfs/dbraw/zinc/28/06/32/570280632.db2.gz YCWGRQIADKNIBF-OAHLLOKOSA-N 0 0 375.472 5.006 40 0 GKABRN Cc1c(Cl)cccc1Nc1nn(-c2ccc(F)cc2)c2c1C(=O)C[C@@H](C)C2 ZINC000020796597 570280670 /nfs/dbraw/zinc/28/06/70/570280670.db2.gz WAIYZKYJVPJEQL-LBPRGKRZSA-N 0 0 383.854 5.482 40 0 GKABRN Clc1cccc(Cl)c1CSc1nc2cc(Br)ccc2[nH]1 ZINC000020765406 570282937 /nfs/dbraw/zinc/28/29/37/570282937.db2.gz AEAPTZCHVSPAPN-UHFFFAOYSA-N 0 0 388.117 5.925 40 0 GKABRN Clc1ccc(CSc2nc3cc(Br)ccc3[nH]2)cc1Cl ZINC000020765218 570282985 /nfs/dbraw/zinc/28/29/85/570282985.db2.gz HAMUIAWQOQEKJL-UHFFFAOYSA-N 0 0 388.117 5.925 40 0 GKABRN Cc1nnc(S[C@@H]2C(=O)c3c4ccccc4[nH]c3[C@@H]2c2ccc(C)cc2)s1 ZINC000021005839 570287149 /nfs/dbraw/zinc/28/71/49/570287149.db2.gz 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PHAQEXVLJJAKKQ-KRWDZBQOSA-N 0 0 377.484 5.346 40 0 GKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccccc1 ZINC000224650611 570522689 /nfs/dbraw/zinc/52/26/89/570522689.db2.gz ITMZGVGQCLHLGV-UHFFFAOYSA-N 0 0 391.536 6.247 40 0 GKABRN CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccccc1 ZINC000224650464 570522779 /nfs/dbraw/zinc/52/27/79/570522779.db2.gz RKBDSMPKAWFYJQ-UHFFFAOYSA-N 0 0 391.536 6.247 40 0 GKABRN CCOc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccc(C)cc1 ZINC000224659669 570523187 /nfs/dbraw/zinc/52/31/87/570523187.db2.gz YPDYHHGHLVOZSM-UHFFFAOYSA-N 0 0 397.584 6.139 40 0 GKABRN CCC[C@@H](C)NC(=O)c1ccc(OCC)c(CSc2ccc(Cl)cc2)c1 ZINC000224678774 570523963 /nfs/dbraw/zinc/52/39/63/570523963.db2.gz JDYUVRKNOZSXHQ-OAHLLOKOSA-N 0 0 391.964 5.949 40 0 GKABRN CCOc1ccc(C(=O)N2CCCCC2)cc1CSc1ccc(Cl)cc1 ZINC000224677163 570524024 /nfs/dbraw/zinc/52/40/24/570524024.db2.gz HXBMYOCKTUURFN-UHFFFAOYSA-N 0 0 389.948 5.657 40 0 GKABRN Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1c(C)cccc1C ZINC000224697533 570525164 /nfs/dbraw/zinc/52/51/64/570525164.db2.gz HHAURZPZNOLYSQ-ZHZULCJRSA-N 0 0 390.508 5.083 40 0 GKABRN CCCOCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCC ZINC000224706081 570526104 /nfs/dbraw/zinc/52/61/04/570526104.db2.gz IXZWPMXTGGIKMU-UHFFFAOYSA-N 0 0 382.287 5.571 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COC(C)C ZINC000224716492 570526392 /nfs/dbraw/zinc/52/63/92/570526392.db2.gz ZUVLQSGTVJIPCK-UHFFFAOYSA-N 0 0 382.287 5.569 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COC(C)C ZINC000224716365 570526466 /nfs/dbraw/zinc/52/64/66/570526466.db2.gz JDYSYPJILNLENO-UHFFFAOYSA-N 0 0 382.287 5.569 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccccc2F)c1 ZINC000224711010 570526613 /nfs/dbraw/zinc/52/66/13/570526613.db2.gz CGZSXBWVFJFAOF-QGZVFWFLSA-N 0 0 389.536 5.074 40 0 GKABRN CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COC(C)C ZINC000224722687 570526983 /nfs/dbraw/zinc/52/69/83/570526983.db2.gz VZYXIGKSTAMFPJ-OAHLLOKOSA-N 0 0 375.896 5.155 40 0 GKABRN O=C(NCCSC1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000224722481 570526987 /nfs/dbraw/zinc/52/69/87/570526987.db2.gz VPJVBRCFRGYAEU-CAPFRKAQSA-N 0 0 385.960 5.673 40 0 GKABRN CCCCOCc1cc(C(=O)Nc2ccc(OC)c(Cl)c2)ccc1OCC ZINC000224728842 570527363 /nfs/dbraw/zinc/52/73/63/570527363.db2.gz HEGVCDHMRSLLQS-UHFFFAOYSA-N 0 0 391.895 5.316 40 0 GKABRN CCCCOCc1cc(C(=O)Nc2c(CC)cccc2CC)ccc1OCC ZINC000224731751 570527374 /nfs/dbraw/zinc/52/73/74/570527374.db2.gz OZGOZVNGMULLCQ-UHFFFAOYSA-N 0 0 383.532 5.779 40 0 GKABRN CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COCC(C)C ZINC000224737449 570527848 /nfs/dbraw/zinc/52/78/48/570527848.db2.gz ZXVYZPOAQUNUHN-UHFFFAOYSA-N 0 0 396.314 5.817 40 0 GKABRN CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(Cl)cc3)ccc21 ZINC000033761521 570528488 /nfs/dbraw/zinc/52/84/88/570528488.db2.gz VZWFSVLAPSQQJZ-UHFFFAOYSA-N 0 0 379.916 6.277 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COCc1ccccc1 ZINC000224746970 570528683 /nfs/dbraw/zinc/52/86/83/570528683.db2.gz KWKGXAGJDDQTNM-UHFFFAOYSA-N 0 0 379.431 5.194 40 0 GKABRN Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000033727093 570528649 /nfs/dbraw/zinc/52/86/49/570528649.db2.gz VGJLJSPAHUCFAS-UHFFFAOYSA-N 0 0 379.931 6.369 40 0 GKABRN CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COCC(C)C ZINC000224742151 570528774 /nfs/dbraw/zinc/52/87/74/570528774.db2.gz BPYFTECJZSSREP-UHFFFAOYSA-N 0 0 383.532 5.635 40 0 GKABRN CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COCc1ccccc1 ZINC000224746224 570528785 /nfs/dbraw/zinc/52/87/85/570528785.db2.gz BCSWHPKBERBGAA-UHFFFAOYSA-N 0 0 389.495 5.671 40 0 GKABRN COc1ccc(OC)c([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000008355153 570529129 /nfs/dbraw/zinc/52/91/29/570529129.db2.gz AGLBGZDEKOTNKM-SFHVURJKSA-N 0 0 389.495 5.103 40 0 GKABRN CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COCc1ccccc1 ZINC000224750390 570529202 /nfs/dbraw/zinc/52/92/02/570529202.db2.gz DCPKXWPSENVKBH-UHFFFAOYSA-N 0 0 389.495 5.074 40 0 GKABRN O=C(CSCc1c(F)cccc1Cl)NCc1cccc(C(F)(F)F)c1 ZINC000224764882 570529840 /nfs/dbraw/zinc/52/98/40/570529840.db2.gz 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570534779 /nfs/dbraw/zinc/53/47/79/570534779.db2.gz WYHYFNFNARQZBK-UHFFFAOYSA-N 0 0 375.799 5.111 40 0 GKABRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4OC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615737 570535407 /nfs/dbraw/zinc/53/54/07/570535407.db2.gz MQKKKKQKYWNSRB-UDPYQVHXSA-N 0 0 388.636 7.013 40 0 GKABRN CC(C)c1ccc2c(c1)C=C[C@@H]1[C@](C)(COC(=O)c3ccccc3)CCC[C@@]21C ZINC000008602697 570535497 /nfs/dbraw/zinc/53/54/97/570535497.db2.gz KIWDKWIUZWUMIW-STXQHDJLSA-N 0 0 388.551 6.758 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000224873767 570535504 /nfs/dbraw/zinc/53/55/04/570535504.db2.gz FNDZGQZVINHKDJ-ZDUSSCGKSA-N 0 0 381.394 5.289 40 0 GKABRN Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c(C)c1 ZINC000224875560 570535622 /nfs/dbraw/zinc/53/56/22/570535622.db2.gz OIUQTONAASYMJW-UHFFFAOYSA-N 0 0 399.288 5.292 40 0 GKABRN Cc1ccc(C)c(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000224884587 570536334 /nfs/dbraw/zinc/53/63/34/570536334.db2.gz QVSNUAWSQGWAHB-UHFFFAOYSA-N 0 0 399.288 5.292 40 0 GKABRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)ccc1F ZINC000224890933 570536453 /nfs/dbraw/zinc/53/64/53/570536453.db2.gz UKEMAGTXBKGBDV-LEWJYISDSA-N 0 0 394.519 5.089 40 0 GKABRN Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)c(C)c1 ZINC000224888591 570536522 /nfs/dbraw/zinc/53/65/22/570536522.db2.gz NWIBINQQFGONMX-QZTJIDSGSA-N 0 0 383.517 5.076 40 0 GKABRN CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1Cl ZINC000224894029 570536805 /nfs/dbraw/zinc/53/68/05/570536805.db2.gz SNWMXOKVKMDNFJ-AWEZNQCLSA-N 0 0 391.895 5.027 40 0 GKABRN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000224894102 570536841 /nfs/dbraw/zinc/53/68/41/570536841.db2.gz AJBLPUCQCOQQRB-UHFFFAOYSA-N 0 0 392.817 6.053 40 0 GKABRN Cc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=Nc3ccccc3N2)cc1 ZINC000001084265 570536916 /nfs/dbraw/zinc/53/69/16/570536916.db2.gz TXPJEMCJURHBHH-QFIPXVFZSA-N 0 0 380.447 5.779 40 0 GKABRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3)o2)c1 ZINC000224898485 570536992 /nfs/dbraw/zinc/53/69/92/570536992.db2.gz XIBLMSJMEIETTG-UHFFFAOYSA-N 0 0 384.435 5.578 40 0 GKABRN COc1ccccc1[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000224914346 570537758 /nfs/dbraw/zinc/53/77/58/570537758.db2.gz XYVVMGDRIKRRKL-INIZCTEOSA-N 0 0 395.886 5.419 40 0 GKABRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCC3)o2)cc1 ZINC000224915739 570537764 /nfs/dbraw/zinc/53/77/64/570537764.db2.gz WUYHCTHTUKQQNL-UHFFFAOYSA-N 0 0 376.456 5.080 40 0 GKABRN CC(=O)c1ccc(NC(=O)CSc2cc(C)c3ccc(C)c(C)c3n2)cc1 ZINC000000923668 570537904 /nfs/dbraw/zinc/53/79/04/570537904.db2.gz FFWASRCAWZZRCL-UHFFFAOYSA-N 0 0 378.497 5.093 40 0 GKABRN O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCc2ccccc2C1 ZINC000224927749 570538156 /nfs/dbraw/zinc/53/81/56/570538156.db2.gz PEMRCQYDHDXYPT-UHFFFAOYSA-N 0 0 398.437 5.346 40 0 GKABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 ZINC000224922748 570538233 /nfs/dbraw/zinc/53/82/33/570538233.db2.gz BEXQUEVRRKZKAJ-HTAPYJJXSA-N 0 0 393.527 5.060 40 0 GKABRN Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 ZINC000224924962 570538265 /nfs/dbraw/zinc/53/82/65/570538265.db2.gz DBXCNHCALQHFRX-UHFFFAOYSA-N 0 0 386.426 6.017 40 0 GKABRN O=C(Nc1cccc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000224925485 570538327 /nfs/dbraw/zinc/53/83/27/570538327.db2.gz BZHHQHZCSOGSQF-UHFFFAOYSA-N 0 0 392.817 6.053 40 0 GKABRN CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224933384 570538675 /nfs/dbraw/zinc/53/86/75/570538675.db2.gz RJLKDRODDZWVLT-UHFFFAOYSA-N 0 0 385.099 5.125 40 0 GKABRN CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224935439 570538716 /nfs/dbraw/zinc/53/87/16/570538716.db2.gz OPTPYZRPVODSNW-UHFFFAOYSA-N 0 0 378.708 5.170 40 0 GKABRN CCN(CC)C(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224944701 570538982 /nfs/dbraw/zinc/53/89/82/570538982.db2.gz CZTOAEDOVVAFCZ-UHFFFAOYSA-N 0 0 399.288 5.253 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000224938110 570539157 /nfs/dbraw/zinc/53/91/57/570539157.db2.gz DCDSLKZICYRJRO-QGZVFWFLSA-N 0 0 378.299 5.806 40 0 GKABRN CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224941605 570539217 /nfs/dbraw/zinc/53/92/17/570539217.db2.gz QYBCAPAJKYTAAK-UHFFFAOYSA-N 0 0 399.126 5.515 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2O1 ZINC000224938150 570539226 /nfs/dbraw/zinc/53/92/26/570539226.db2.gz DCDSLKZICYRJRO-KRWDZBQOSA-N 0 0 378.299 5.806 40 0 GKABRN CC(C)(C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224948779 570539575 /nfs/dbraw/zinc/53/95/75/570539575.db2.gz VYOPVKXUYYMESB-UHFFFAOYSA-N 0 0 399.288 5.299 40 0 GKABRN O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 ZINC000224958214 570539837 /nfs/dbraw/zinc/53/98/37/570539837.db2.gz DROIYLZNHFSWSF-UHFFFAOYSA-N 0 0 380.875 5.725 40 0 GKABRN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(N)c3)c3ccccc3n2)cc1 ZINC000000930538 570540158 /nfs/dbraw/zinc/54/01/58/570540158.db2.gz XLIXHMLKHKYQPV-UHFFFAOYSA-N 0 0 383.451 5.053 40 0 GKABRN O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000224972514 570540459 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ZINC000409111745 231163174 /nfs/dbraw/zinc/16/31/74/231163174.db2.gz DTZUTVQQJHTRLC-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409110520 231163255 /nfs/dbraw/zinc/16/32/55/231163255.db2.gz DIVYWTDLUILFCQ-UHFFFAOYSA-N 0 0 390.285 6.632 40 0 GKABRN c1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409112894 231163273 /nfs/dbraw/zinc/16/32/73/231163273.db2.gz GWOQEFSSVARBKC-UHFFFAOYSA-N 0 0 381.475 6.670 40 0 GKABRN Cc1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409111280 231163356 /nfs/dbraw/zinc/16/33/56/231163356.db2.gz BETHGJYJQVHTDH-UHFFFAOYSA-N 0 0 387.910 6.993 40 0 GKABRN Cc1ccc(Cl)cc1NCc1cccc(OCc2cccc3ccccc32)c1 ZINC000409110503 231163392 /nfs/dbraw/zinc/16/33/92/231163392.db2.gz CUUCABFYAZWZMZ-UHFFFAOYSA-N 0 0 387.910 6.993 40 0 GKABRN Fc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1Cl ZINC000409176518 231174721 /nfs/dbraw/zinc/17/47/21/231174721.db2.gz PXGAMEXSUVGKRC-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN 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COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 ZINC000408628932 533346947 /nfs/dbraw/zinc/34/69/47/533346947.db2.gz YIMYDYGLRRECNV-UHFFFAOYSA-N 0 0 377.831 5.144 40 0 GKABRN COc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 ZINC000059477547 533349050 /nfs/dbraw/zinc/34/90/50/533349050.db2.gz UKTNILAAAMGZAX-FMIVXFBMSA-N 0 0 376.437 5.217 40 0 GKABRN COc1ccc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)nc2c1 ZINC000408713445 533323988 /nfs/dbraw/zinc/32/39/88/533323988.db2.gz ZALOWOFOJWAIMP-UHFFFAOYSA-N 0 0 396.490 5.394 40 0 GKABRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C=C[C@]12C ZINC000118934205 533449147 /nfs/dbraw/zinc/44/91/47/533449147.db2.gz KRBPSZPEGAZZAB-IRXAEXMOSA-N 0 0 386.576 5.580 40 0 GKABRN COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000408622010 533406463 /nfs/dbraw/zinc/40/64/63/533406463.db2.gz PDGCZQGONJLSDM-UHFFFAOYSA-N 0 0 394.858 5.162 40 0 GKABRN COc1c(C)cccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000408628861 533406795 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ZINC000408551652 533557425 /nfs/dbraw/zinc/55/74/25/533557425.db2.gz FCBCPODREKPKGS-UHFFFAOYSA-N 0 0 375.468 5.452 40 0 GKABRN COc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555106 533557922 /nfs/dbraw/zinc/55/79/22/533557922.db2.gz VOQSBWWRDNOKHR-UHFFFAOYSA-N 0 0 399.849 5.627 40 0 GKABRN COc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 ZINC000408552183 533558541 /nfs/dbraw/zinc/55/85/41/533558541.db2.gz HWUNWVHNTNWXIZ-UHFFFAOYSA-N 0 0 395.886 5.797 40 0 GKABRN COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(F)cc1 ZINC000408571202 533560810 /nfs/dbraw/zinc/56/08/10/533560810.db2.gz ACOGAFQSDLMEMY-UHFFFAOYSA-N 0 0 395.499 5.187 40 0 GKABRN COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000408571634 533561017 /nfs/dbraw/zinc/56/10/17/533561017.db2.gz BZIJFLQGVSJLPJ-UHFFFAOYSA-N 0 0 395.499 5.187 40 0 GKABRN Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1Cl ZINC000408627979 533605827 /nfs/dbraw/zinc/60/58/27/533605827.db2.gz OYNCXJGMOINTQL-UHFFFAOYSA-N 0 0 396.277 6.097 40 0 GKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2)SC1Nc1ccccc1 ZINC000408814715 533606814 /nfs/dbraw/zinc/60/68/14/533606814.db2.gz RZZOZLINKTXBQN-GKHPWTRWSA-N 0 0 377.533 5.741 40 0 GKABRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(F)cc2)SC1Nc1ccccc1 ZINC000408809592 533607163 /nfs/dbraw/zinc/60/71/63/533607163.db2.gz HWNHSFGSVGVMAB-CVMPDPLCSA-N 0 0 395.523 5.880 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c(Cl)c1 ZINC000408619514 533609793 /nfs/dbraw/zinc/60/97/93/533609793.db2.gz CMMPXTXXLNCZNZ-UHFFFAOYSA-N 0 0 378.859 5.082 40 0 GKABRN Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)cc1 ZINC000408832847 533619322 /nfs/dbraw/zinc/61/93/22/533619322.db2.gz QQJCOKYSZNQOQO-UHFFFAOYSA-N 0 0 384.504 6.346 40 0 GKABRN Cc1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1Cl ZINC000408622763 533617887 /nfs/dbraw/zinc/61/78/87/533617887.db2.gz RJXKUAJMINYQDZ-UHFFFAOYSA-N 0 0 378.884 6.177 40 0 GKABRN COc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 ZINC000408624042 533603731 /nfs/dbraw/zinc/60/37/31/533603731.db2.gz 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CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020105800 570240046 /nfs/dbraw/zinc/24/00/46/570240046.db2.gz UNKJUGGNEMFRPX-KRWDZBQOSA-N 0 0 385.813 5.772 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 ZINC000020108349 570240444 /nfs/dbraw/zinc/24/04/44/570240444.db2.gz WJCKPLFNRVCBKA-ZDUSSCGKSA-N 0 0 398.355 5.503 40 0 GKABRN Cc1ccc([C@@H](NC(=O)c2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000020110765 570240600 /nfs/dbraw/zinc/24/06/00/570240600.db2.gz LPEKOCVVMKZOOF-VWLOTQADSA-N 0 0 384.523 5.505 40 0 GKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020112476 570241045 /nfs/dbraw/zinc/24/10/45/570241045.db2.gz BCESYAOWFWFNHJ-OAHLLOKOSA-N 0 0 392.204 5.808 40 0 GKABRN COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccccc2Cl)cc1 ZINC000020111446 570241163 /nfs/dbraw/zinc/24/11/63/570241163.db2.gz GDTZSIJKTNHIKK-FQEVSTJZSA-N 0 0 391.964 5.485 40 0 GKABRN CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 ZINC000020137692 570241955 /nfs/dbraw/zinc/24/19/55/570241955.db2.gz FYKHTSBVMRAVPL-UHFFFAOYSA-N 0 0 383.875 5.642 40 0 GKABRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000020138425 570242095 /nfs/dbraw/zinc/24/20/95/570242095.db2.gz WFJBDCGAOZUPQQ-UHFFFAOYSA-N 0 0 376.239 5.306 40 0 GKABRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000020138450 570242170 /nfs/dbraw/zinc/24/21/70/570242170.db2.gz GKVQKDQZQQAUGB-UHFFFAOYSA-N 0 0 396.657 5.651 40 0 GKABRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Cl)c1Cl ZINC000020138682 570242369 /nfs/dbraw/zinc/24/23/69/570242369.db2.gz MBEVNGXCCKKTGE-UHFFFAOYSA-N 0 0 396.657 5.651 40 0 GKABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000020138680 570242375 /nfs/dbraw/zinc/24/23/75/570242375.db2.gz YGDCWBNPXADNSO-UHFFFAOYSA-N 0 0 392.238 5.007 40 0 GKABRN CCCOc1cccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 ZINC000020141500 570242660 /nfs/dbraw/zinc/24/26/60/570242660.db2.gz TYCVWAKVOBRXRC-UHFFFAOYSA-N 0 0 385.847 5.133 40 0 GKABRN COc1ccc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020141211 570242703 /nfs/dbraw/zinc/24/27/03/570242703.db2.gz KEMLTTHDEGOSAR-UHFFFAOYSA-N 0 0 392.238 5.007 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 ZINC000020141789 570243011 /nfs/dbraw/zinc/24/30/11/570243011.db2.gz QWTWLMKCYHSVML-UHFFFAOYSA-N 0 0 379.456 5.179 40 0 GKABRN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 ZINC000020143957 570243335 /nfs/dbraw/zinc/24/33/35/570243335.db2.gz CUAIJHZXFBNUOV-UHFFFAOYSA-N 0 0 399.874 5.233 40 0 GKABRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000020145012 570243633 /nfs/dbraw/zinc/24/36/33/570243633.db2.gz LPOXCAJHYBBWGV-UHFFFAOYSA-N 0 0 399.446 5.270 40 0 GKABRN Cc1ccc(-c2ccc(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)o2)cc1Cl ZINC000020395433 570254349 /nfs/dbraw/zinc/25/43/49/570254349.db2.gz AHBYYYLYCYDNSP-WQRHYEAKSA-N 0 0 398.245 5.906 40 0 GKABRN COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc3ccccc32)cc1 ZINC000020451125 570256935 /nfs/dbraw/zinc/25/69/35/570256935.db2.gz YPLCZXOWKBWDQY-MBSDFSHPSA-N 0 0 391.511 5.519 40 0 GKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020453996 570258242 /nfs/dbraw/zinc/25/82/42/570258242.db2.gz IRMJUTLHBRVGSE-BJKOFHAPSA-N 0 0 389.495 5.067 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000020453478 570258261 /nfs/dbraw/zinc/25/82/61/570258261.db2.gz JQQHFRBLEFEMLX-INIZCTEOSA-N 0 0 390.508 6.159 40 0 GKABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020455422 570258628 /nfs/dbraw/zinc/25/86/28/570258628.db2.gz ALOUVQQAJUIUQI-BJKOFHAPSA-N 0 0 389.495 5.067 40 0 GKABRN CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccccc1Cl ZINC000020455244 570258846 /nfs/dbraw/zinc/25/88/46/570258846.db2.gz PYLYFNIVNYVVAJ-MRXNPFEDSA-N 0 0 391.964 5.280 40 0 GKABRN C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(F)cc1 ZINC000020456425 570259199 /nfs/dbraw/zinc/25/91/99/570259199.db2.gz DWEBNQMLMQETNU-OAHLLOKOSA-N 0 0 383.850 5.549 40 0 GKABRN Cc1ccc([C@@H](NC(=O)CCSCc2ccccc2)c2ccccc2)cc1 ZINC000020457576 570259527 /nfs/dbraw/zinc/25/95/27/570259527.db2.gz MQSJPBCETDIOAG-DEOSSOPVSA-N 0 0 375.537 5.524 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020457931 570259577 /nfs/dbraw/zinc/25/95/77/570259577.db2.gz GGRFVPHVXDDGLZ-GOTSBHOMSA-N 0 0 383.532 5.373 40 0 GKABRN Cc1cccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 ZINC000020458277 570259987 /nfs/dbraw/zinc/25/99/87/570259987.db2.gz ZNDFFXZEDBLQTR-UHFFFAOYSA-N 0 0 398.550 5.310 40 0 GKABRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1N1CCCC1 ZINC000001267286 570260156 /nfs/dbraw/zinc/26/01/56/570260156.db2.gz GJBPLXYJAFPLDF-CMDGGOBGSA-N 0 0 391.298 5.254 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000020461353 570260755 /nfs/dbraw/zinc/26/07/55/570260755.db2.gz WCNQLPUAUUIACM-FQEVSTJZSA-N 0 0 397.858 5.076 40 0 GKABRN CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1 ZINC000001360689 570260908 /nfs/dbraw/zinc/26/09/08/570260908.db2.gz INGIYOPGHIHMIK-UHFFFAOYSA-N 0 0 390.531 5.706 40 0 GKABRN Cc1ccccc1[C@H](NC(=O)COc1cccc2ccccc21)c1ccccc1 ZINC000020481803 570261640 /nfs/dbraw/zinc/26/16/40/570261640.db2.gz LSCHELMIALJUHQ-AREMUKBSSA-N 0 0 381.475 5.433 40 0 GKABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1F ZINC000020483760 570261993 /nfs/dbraw/zinc/26/19/93/570261993.db2.gz PZBRPJUXMWXSQR-GFCCVEGCSA-N 0 0 380.257 5.118 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020483974 570262001 /nfs/dbraw/zinc/26/20/01/570262001.db2.gz ZKYYOOOTQCDCJY-MRXNPFEDSA-N 0 0 385.813 5.772 40 0 GKABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020483673 570262022 /nfs/dbraw/zinc/26/20/22/570262022.db2.gz WOHJOSRKRVQTMF-PMACEKPBSA-N 0 0 389.923 5.410 40 0 GKABRN CCOc1ccc(CCC(=O)NCc2ccc(Cl)cc2Cl)cc1OCC ZINC000020486087 570262361 /nfs/dbraw/zinc/26/23/61/570262361.db2.gz XPSNLBQNCAZQJJ-UHFFFAOYSA-N 0 0 396.314 5.040 40 0 GKABRN CSc1c2ccccc2n(C)c1CC(=O)Nc1ccc(Cl)cc1Cl ZINC000001441008 570263106 /nfs/dbraw/zinc/26/31/06/570263106.db2.gz LXGMHOVDLURTPR-UHFFFAOYSA-N 0 0 379.312 5.388 40 0 GKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000020494787 570263762 /nfs/dbraw/zinc/26/37/62/570263762.db2.gz CZELDZBSTIBYRB-FYYLOGMGSA-N 0 0 393.914 5.712 40 0 GKABRN COc1ccc(CSCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000020494413 570263826 /nfs/dbraw/zinc/26/38/26/570263826.db2.gz AAXDUEGXKZTCTB-XMMPIXPASA-N 0 0 391.536 5.143 40 0 GKABRN O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000020493817 570263850 /nfs/dbraw/zinc/26/38/50/570263850.db2.gz VEPAEZQZWWAGFN-UHFFFAOYSA-N 0 0 377.790 5.370 40 0 GKABRN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000020495447 570264070 /nfs/dbraw/zinc/26/40/70/570264070.db2.gz GHWRVHODGGFOBT-CYBMUJFWSA-N 0 0 385.813 5.690 40 0 GKABRN Cc1ccc(SC(=O)N2CCN(C(=O)Sc3ccc(C)cc3)CC2)cc1 ZINC000001571886 570264866 /nfs/dbraw/zinc/26/48/66/570264866.db2.gz FCLPHAUJMUWWCK-UHFFFAOYSA-N 0 0 386.542 5.045 40 0 GKABRN CCSC1(SCC)C(=O)OC2=C(CCCC2)[C@@H]1N(C)c1ccccc1 ZINC000001566374 570264993 /nfs/dbraw/zinc/26/49/93/570264993.db2.gz BNXARGKUDIEEHH-SFHVURJKSA-N 0 0 377.575 5.079 40 0 GKABRN c1ccc2c(c1)c(CCc1cc3c(c4ccccc14)CCCC3)cc1c2CCCC1 ZINC000001577070 570265304 /nfs/dbraw/zinc/26/53/04/570265304.db2.gz AIDDGTPFWLTROF-UHFFFAOYSA-N 0 0 390.570 7.536 40 0 GKABRN O=C(Cc1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001702330 570267377 /nfs/dbraw/zinc/26/73/77/570267377.db2.gz UHJXSOVKWWBQFI-MUUNZHRXSA-N 0 0 376.499 6.414 40 0 GKABRN Clc1ccc2c(c1)/C(=C/c1ccccc1Cl)c1cc(Cl)cc(Cl)c1-2 ZINC000001722507 570267497 /nfs/dbraw/zinc/26/74/97/570267497.db2.gz AOMXZJMSPUKNNU-CHHVJCJISA-N 0 0 392.112 7.870 40 0 GKABRN Clc1ccccc1NN(Cc1ccc2ccccc2n1)c1ccccc1Cl ZINC000001723174 570267521 /nfs/dbraw/zinc/26/75/21/570267521.db2.gz NFTOJQIZCOHWFF-UHFFFAOYSA-N 0 0 394.305 6.575 40 0 GKABRN c1ccc(-c2ccc3c(c2)N[C@@H]([C@@H]2Nc4cc(-c5ccccc5)ccc4O2)O3)cc1 ZINC000001736228 570267548 /nfs/dbraw/zinc/26/75/48/570267548.db2.gz IOXZAZSRPRGLSP-CLJLJLNGSA-N 0 0 392.458 5.982 40 0 GKABRN CCOP(=O)(OCC)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000001717457 570267639 /nfs/dbraw/zinc/26/76/39/570267639.db2.gz ZBHHAPIFXKBQHC-UHFFFAOYSA-N 0 0 392.435 6.869 40 0 GKABRN O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 ZINC000001754486 570267841 /nfs/dbraw/zinc/26/78/41/570267841.db2.gz AYIZUSJFYDYRAH-ZCQKWSGTSA-N 0 0 384.317 5.390 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc1 ZINC000001739733 570267917 /nfs/dbraw/zinc/26/79/17/570267917.db2.gz YIYXWNCEKOIVEC-UHFFFAOYSA-N 0 0 375.852 5.559 40 0 GKABRN O=C(c1ccccc1Br)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 ZINC000001754613 570267963 /nfs/dbraw/zinc/26/79/63/570267963.db2.gz WOBPUQQBCZZEBM-ZXTYOHMPSA-N 0 0 384.317 5.390 40 0 GKABRN O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000035078149 570270087 /nfs/dbraw/zinc/27/00/87/570270087.db2.gz XDEOERZCLUTQST-UHFFFAOYSA-N 0 0 392.817 5.220 40 0 GKABRN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000040945091 570270668 /nfs/dbraw/zinc/27/06/68/570270668.db2.gz ZITNOVJSLZUFCR-IBGZPJMESA-N 0 0 387.523 5.657 40 0 GKABRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1 ZINC000041007178 570271158 /nfs/dbraw/zinc/27/11/58/570271158.db2.gz KRTFGAZLUXUVLL-UHFFFAOYSA-N 0 0 385.044 5.754 40 0 GKABRN Cc1nn(-c2ccc(Cl)cc2)c2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 ZINC000020632768 570273161 /nfs/dbraw/zinc/27/31/61/570273161.db2.gz KSSQWPLNBLZMIX-SFHVURJKSA-N 0 0 378.903 5.870 40 0 GKABRN O=C1CCCc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1ccc(F)cc1 ZINC000020672131 570274350 /nfs/dbraw/zinc/27/43/50/570274350.db2.gz HPJQSROZNMUPDB-UHFFFAOYSA-N 0 0 389.352 5.293 40 0 GKABRN CCOC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000062715851 570276498 /nfs/dbraw/zinc/27/64/98/570276498.db2.gz BGBIEDUQXCJIBS-JXMROGBWSA-N 0 0 395.680 5.258 40 0 GKABRN COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2[C@H](C)CCC(C)C)cc1 ZINC000006563676 570277384 /nfs/dbraw/zinc/27/73/84/570277384.db2.gz MGDPKILWXNVDNG-NPPSCJOGSA-N 0 0 398.547 6.594 40 0 GKABRN CC(C)[C@H]1CC[C@H](C)C[C@H]1C1([C@H]2C[C@@H](C)CC[C@@H]2C(C)C)OC[C@H](CCO)O1 ZINC000101652840 570278012 /nfs/dbraw/zinc/27/80/12/570278012.db2.gz LMHCQSYOFZFRMI-FWYMOMFYSA-N 0 0 394.640 5.897 40 0 GKABRN CCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC ZINC000015007987 570278842 /nfs/dbraw/zinc/27/88/42/570278842.db2.gz IPAPCZZGLVYXNG-UHFFFAOYSA-N 0 0 396.256 5.028 40 0 GKABRN CCc1ccc(NC(=O)c2nnc3c(-c4ccccc4)c(C(C)C)nn3c2C)cc1 ZINC000020797843 570280607 /nfs/dbraw/zinc/28/06/07/570280607.db2.gz BSHWYKOVQWLEPM-UHFFFAOYSA-N 0 0 399.498 5.038 40 0 GKABRN CCc1ccc(Nc2nn(-c3ccc(F)cc3)c3c2C(=O)CC(C)(C)C3)cc1 ZINC000020796690 570280717 /nfs/dbraw/zinc/28/07/17/570280717.db2.gz IOELHPAVHRNQSF-UHFFFAOYSA-N 0 0 377.463 5.473 40 0 GKABRN COc1ccc(-n2nc(Nc3ccc(C)cc3Cl)c3c2C[C@@H](C)CC3=O)cc1 ZINC000020796871 570280721 /nfs/dbraw/zinc/28/07/21/570280721.db2.gz GQURRCNLUIJWCK-CQSZACIVSA-N 0 0 395.890 5.351 40 0 GKABRN CCCC(=O)Nc1ccc(-c2csc(Nc3ccc(OCC)cc3)n2)cc1 ZINC000006782926 570284081 /nfs/dbraw/zinc/28/40/81/570284081.db2.gz CRDGYLDDBGNZJZ-UHFFFAOYSA-N 0 0 381.501 5.691 40 0 GKABRN CCc1ccc(-c2cs/c(=N\c3ccc(C(C)C)cc3)n2[C@@H](C)COC)cc1 ZINC000015910600 570288506 /nfs/dbraw/zinc/28/85/06/570288506.db2.gz YBBYJSQBSQZUEG-AXUOHLPSSA-N 0 0 394.584 6.342 40 0 GKABRN CCOc1ccccc1/N=c1\scc(-c2ccc(OC)cc2)n1[C@H](C)COC ZINC000015912419 570288805 /nfs/dbraw/zinc/28/88/05/570288805.db2.gz QWELXDNQCLYRGS-KJXVGZKYSA-N 0 0 398.528 5.064 40 0 GKABRN Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1 ZINC000002569350 570290934 /nfs/dbraw/zinc/29/09/34/570290934.db2.gz WCIBKXHMIXUQHK-UHFFFAOYSA-N 0 0 395.327 7.927 40 0 GKABRN O=Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12 ZINC000002599580 570291883 /nfs/dbraw/zinc/29/18/83/570291883.db2.gz JXRHMFUYBDUWMR-UHFFFAOYSA-N 0 0 377.241 5.243 40 0 GKABRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccco1 ZINC000103545170 570295808 /nfs/dbraw/zinc/29/58/08/570295808.db2.gz PCGLZNGKQLTVQK-VWLOTQADSA-N 0 0 398.506 6.746 40 0 GKABRN Cc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1 ZINC000002727675 570295925 /nfs/dbraw/zinc/29/59/25/570295925.db2.gz GGTPCJBJYBNGNO-CQSZACIVSA-N 0 0 399.404 5.263 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000216145502 570296423 /nfs/dbraw/zinc/29/64/23/570296423.db2.gz AAJNEDVJDSFWLR-DNQXCXABSA-N 0 0 375.512 5.901 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000216145410 570296434 /nfs/dbraw/zinc/29/64/34/570296434.db2.gz AAJNEDVJDSFWLR-BJKOFHAPSA-N 0 0 375.512 5.901 40 0 GKABRN c1ccc2c(c1)ccc1c2[C@@H]2C[C@@H]3CCc4ccc5ccccc5c4[C@H]3C[C@@H]2CC1 ZINC000104072438 570297588 /nfs/dbraw/zinc/29/75/88/570297588.db2.gz LDDZRAFBVRUUAF-NQPYUKKHSA-N 0 0 388.554 7.779 40 0 GKABRN CCSc1ccccc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000216236485 570297675 /nfs/dbraw/zinc/29/76/75/570297675.db2.gz YQBXVAFVTAARJL-UHFFFAOYSA-N 0 0 376.330 5.047 40 0 GKABRN Fc1cccc(/C=C2\c3cc(Cl)ccc3-c3c2cc(Cl)cc3Cl)c1 ZINC000104127450 570298018 /nfs/dbraw/zinc/29/80/18/570298018.db2.gz XRXQLYIBLZFDPU-FRKPEAEDSA-N 0 0 375.657 7.355 40 0 GKABRN CCOC(=O)[C@@H]1C(=O)C(c2ccccc2)[P@@](=O)(Cc2ccccc2)C1(C)C ZINC000104183553 570298803 /nfs/dbraw/zinc/29/88/03/570298803.db2.gz IKCAKHJFTYDXKN-MYUZEXMDSA-N 0 0 384.412 5.448 40 0 GKABRN COc1cccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 ZINC000216326820 570299069 /nfs/dbraw/zinc/29/90/69/570299069.db2.gz OQKSLQBDYRSQOJ-QGZVFWFLSA-N 0 0 393.508 5.394 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000216341918 570299217 /nfs/dbraw/zinc/29/92/17/570299217.db2.gz SREIGFZANALBDY-FDDCHVKYSA-N 0 0 389.539 6.172 40 0 GKABRN CCOc1ccccc1CNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 ZINC000216334971 570299221 /nfs/dbraw/zinc/29/92/21/570299221.db2.gz HLTHOGQZLWTRSC-UHFFFAOYSA-N 0 0 391.536 5.616 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000216335273 570299225 /nfs/dbraw/zinc/29/92/25/570299225.db2.gz DUUSHCYEYYKONM-KOSHJBKYSA-N 0 0 389.539 6.172 40 0 GKABRN CC[C@H](Oc1cccc2ccccc21)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000216342045 570299249 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O=C1N=C(Nc2ccc(Cl)c(Cl)c2)SC1=Cc1c[nH]c2ccccc12 ZINC000026771501 570437205 /nfs/dbraw/zinc/43/72/05/570437205.db2.gz TZSGOLIPOVIGPX-APSNUPSMSA-N 0 0 388.279 5.557 40 0 GKABRN CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223010778 570437307 /nfs/dbraw/zinc/43/73/07/570437307.db2.gz ONFUKYGWKKGYOV-VWLOTQADSA-N 0 0 383.535 5.965 40 0 GKABRN CCC1(CC)C[C@@H](NC(=O)CSCc2cc(C)cc(C)c2)c2ccccc2O1 ZINC000223010655 570437327 /nfs/dbraw/zinc/43/73/27/570437327.db2.gz CPJWWSMLDHQXIT-OAQYLSRUSA-N 0 0 397.584 5.735 40 0 GKABRN c1ccc(C2=NN(CNc3cccc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000005391006 570437299 /nfs/dbraw/zinc/43/72/99/570437299.db2.gz FJNNXXKEDXFTIK-SANMLTNESA-N 0 0 377.491 6.061 40 0 GKABRN CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000223012640 570437350 /nfs/dbraw/zinc/43/73/50/570437350.db2.gz PVLYYHSIXMQQKM-QFIPXVFZSA-N 0 0 385.935 5.287 40 0 GKABRN CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc2c(c1)CCCC2 ZINC000223018189 570437583 /nfs/dbraw/zinc/43/75/83/570437583.db2.gz YQGVEBDWSPFYQE-OAQYLSRUSA-N 0 0 387.976 5.720 40 0 GKABRN CC[C@@H](NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000223017065 570437636 /nfs/dbraw/zinc/43/76/36/570437636.db2.gz MLLFNSJOGBHPFF-YCRPNKLZSA-N 0 0 387.976 5.967 40 0 GKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(C)c1 ZINC000223019620 570437659 /nfs/dbraw/zinc/43/76/59/570437659.db2.gz UQYULNGSBUUAJK-DYESRHJHSA-N 0 0 383.532 5.336 40 0 GKABRN CCCCC/C=C\C/C(C)=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)CO ZINC000027644436 570437709 /nfs/dbraw/zinc/43/77/09/570437709.db2.gz JCONWSQYBSNZFE-DHZOFJBDSA-N 0 0 375.597 6.019 40 0 in-vitro GKABRN O=C(Nc1cnc(Oc2ccccc2F)nc1)C(c1ccccc1)c1ccccc1 ZINC000224284110 570438224 /nfs/dbraw/zinc/43/82/24/570438224.db2.gz ZMWMWJOVPSLWRF-UHFFFAOYSA-N 0 0 399.425 5.179 40 0 GKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(OC)ccc1OC ZINC000223026550 570438279 /nfs/dbraw/zinc/43/82/79/570438279.db2.gz KHUYJPLPIRUDTF-IERDGZPVSA-N 0 0 399.531 5.036 40 0 GKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@@H]3c2ccccc2)cc1 ZINC000005414628 570438271 /nfs/dbraw/zinc/43/82/71/570438271.db2.gz PYKQBQYLBQXXJS-NGSHPTGOSA-N 0 0 395.502 5.462 40 0 GKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(OC)ccc1OC ZINC000223026350 570438338 /nfs/dbraw/zinc/43/83/38/570438338.db2.gz KHUYJPLPIRUDTF-HRAATJIYSA-N 0 0 399.531 5.036 40 0 GKABRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000039274543 570440628 /nfs/dbraw/zinc/44/06/28/570440628.db2.gz SFRHQVIYMXPVMD-KXSIRNOESA-N 0 0 386.664 7.677 40 0 GKABRN CCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000005467154 570440714 /nfs/dbraw/zinc/44/07/14/570440714.db2.gz CALZBAAXLJWBBQ-UHFFFAOYSA-N 0 0 392.842 5.799 40 0 GKABRN CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223073605 570441651 /nfs/dbraw/zinc/44/16/51/570441651.db2.gz WJDUQHBTVHAWIH-HTAPYJJXSA-N 0 0 399.962 5.870 40 0 GKABRN CCc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 ZINC000223071170 570441686 /nfs/dbraw/zinc/44/16/86/570441686.db2.gz SDHVUIAHIGFYFY-CYBMUJFWSA-N 0 0 382.356 5.666 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Oc1cccc2ccccc21)c1ccc2c(c1)CCCC2 ZINC000223085851 570442564 /nfs/dbraw/zinc/44/25/64/570442564.db2.gz TVQVQHBGPMHEJJ-UUOWRZLLSA-N 0 0 387.523 5.753 40 0 GKABRN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000008040819 570442730 /nfs/dbraw/zinc/44/27/30/570442730.db2.gz XFBHDFLCZSOFED-AWEZNQCLSA-N 0 0 386.648 5.038 40 0 GKABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C(C)C ZINC000223092740 570442924 /nfs/dbraw/zinc/44/29/24/570442924.db2.gz HMYMZXRKEZDYAY-YADHBBJMSA-N 0 0 396.604 5.386 40 0 GKABRN CC[C@@H](NC(=O)[C@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000223093323 570442959 /nfs/dbraw/zinc/44/29/59/570442959.db2.gz JCIGMDWKWPPPRV-QUCCMNQESA-N 0 0 391.964 5.795 40 0 GKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(C)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223098535 570443187 /nfs/dbraw/zinc/44/31/87/570443187.db2.gz DAZQOKPUAJUGJT-RPWUZVMVSA-N 0 0 379.544 5.607 40 0 GKABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223097842 570443295 /nfs/dbraw/zinc/44/32/95/570443295.db2.gz ICTZVUUYDJMJQK-RTWAWAEBSA-N 0 0 385.935 5.644 40 0 GKABRN CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc(C)cc1C ZINC000223117675 570444242 /nfs/dbraw/zinc/44/42/42/570444242.db2.gz SJOBCBJPPPPCIL-LJQANCHMSA-N 0 0 379.928 5.597 40 0 GKABRN O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1F ZINC000223116841 570444311 /nfs/dbraw/zinc/44/43/11/570444311.db2.gz ZXTZBXLBAIIMHW-UHFFFAOYSA-N 0 0 392.710 5.449 40 0 GKABRN CC1=C[C@@H](C)[C@@]2(COC(=O)NC3CCCCC3)COC3(CCCC3)[C@@H]1[C@H]2C ZINC000005527929 570444415 /nfs/dbraw/zinc/44/44/15/570444415.db2.gz OUDFERJARZVAOL-HROGELHOSA-N 0 0 375.553 5.223 40 0 GKABRN CCCCCC[C@@H](CCCCCCCCCCC(=O)OC(C)C)OC(=O)CC ZINC000005524163 570444442 /nfs/dbraw/zinc/44/44/42/570444442.db2.gz MEDLXILBBIWROQ-QFIPXVFZSA-N 0 0 398.628 7.131 40 0 GKABRN COc1ccc(/C=C/c2nc3ccccc3c(Nc3ccc(OC)cc3)n2)cc1 ZINC000005550107 570444951 /nfs/dbraw/zinc/44/49/51/570444951.db2.gz KIIMDNIBZSDVAR-CXUHLZMHSA-N 0 0 383.451 5.561 40 0 GKABRN CCc1ccc(O[C@@H](CC)C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223127939 570445090 /nfs/dbraw/zinc/44/50/90/570445090.db2.gz OADBBQLDNODDSK-RPWUZVMVSA-N 0 0 379.544 5.553 40 0 GKABRN CSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 ZINC000223127078 570445124 /nfs/dbraw/zinc/44/51/24/570445124.db2.gz JTGVKQKERYPEIJ-UHFFFAOYSA-N 0 0 387.555 5.113 40 0 GKABRN CC[C@H](NC(=O)COc1ccccc1C(C)(C)C)c1ccc2c(c1)CCCC2 ZINC000223126649 570445198 /nfs/dbraw/zinc/44/51/98/570445198.db2.gz AOSKMBWLMASXQU-QFIPXVFZSA-N 0 0 379.544 5.509 40 0 GKABRN COc1ccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)cc1 ZINC000005551683 570445369 /nfs/dbraw/zinc/44/53/69/570445369.db2.gz VPTPHZDINJQVJU-XXEARWCOSA-N 0 0 389.451 5.023 40 0 GKABRN CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)c1ccc2c(c1)CCCC2 ZINC000223131954 570445600 /nfs/dbraw/zinc/44/56/00/570445600.db2.gz KFQLMQAMTMFKRT-YADARESESA-N 0 0 393.571 6.032 40 0 GKABRN CCCCc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 ZINC000005552706 570445805 /nfs/dbraw/zinc/44/58/05/570445805.db2.gz KYFUEKVMRTVPAV-MOSHPQCFSA-N 0 0 376.481 5.751 40 0 GKABRN Cc1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)c(Br)c1 ZINC000223135446 570445782 /nfs/dbraw/zinc/44/57/82/570445782.db2.gz GAQKJRPYNBIPBH-UHFFFAOYSA-N 0 0 397.297 5.773 40 0 GKABRN O=Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000005552952 570445893 /nfs/dbraw/zinc/44/58/93/570445893.db2.gz ZFJJARGQWGMFIP-CHHVJCJISA-N 0 0 378.236 5.047 40 0 GKABRN O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000039762755 570445927 /nfs/dbraw/zinc/44/59/27/570445927.db2.gz CVHBOYVZFPBUOL-UHFFFAOYSA-N 0 0 396.899 5.323 40 0 GKABRN OC1CCC([C@@H]2[C@@H]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3[C@@H]2C2CCC(O)CC2)CC1 ZINC000005566948 570446270 /nfs/dbraw/zinc/44/62/70/570446270.db2.gz XCKQBJYVQJFPMD-DWSOLQFASA-N 0 0 388.636 5.947 40 0 GKABRN CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1 ZINC000008041307 570446859 /nfs/dbraw/zinc/44/68/59/570446859.db2.gz MPMZEXFURJXLIL-UHFFFAOYSA-N 0 0 391.964 5.066 40 0 GKABRN CC[C@H](NC(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc2c(c1)CCCC2 ZINC000223145300 570446870 /nfs/dbraw/zinc/44/68/70/570446870.db2.gz WHHRZZMQAJDOAR-QHCPKHFHSA-N 0 0 379.544 5.887 40 0 GKABRN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039753176 570447399 /nfs/dbraw/zinc/44/73/99/570447399.db2.gz XNNIGAZJKXGDDU-UHFFFAOYSA-N 0 0 395.305 5.292 40 0 GKABRN CC(C)(C)c1ccccc1OCC(=O)NCCSCc1cccc(Cl)c1 ZINC000008041242 570447387 /nfs/dbraw/zinc/44/73/87/570447387.db2.gz QVUWKBRBPAZMER-UHFFFAOYSA-N 0 0 391.964 5.066 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223164612 570447718 /nfs/dbraw/zinc/44/77/18/570447718.db2.gz GZGQYJRCVJRADQ-LEWJYISDSA-N 0 0 381.516 5.351 40 0 GKABRN CC[C@@H](Oc1ccc(C)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000223164495 570447770 /nfs/dbraw/zinc/44/77/70/570447770.db2.gz GZGQYJRCVJRADQ-NHCUHLMSSA-N 0 0 381.516 5.351 40 0 GKABRN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000039755695 570447985 /nfs/dbraw/zinc/44/79/85/570447985.db2.gz ZMOVQHSAKLNCEV-UHFFFAOYSA-N 0 0 399.268 5.122 40 0 GKABRN CC[C@@H](NC(=O)CSCc1cccc(Cl)c1)c1ccc(OC)c(C)c1 ZINC000223206534 570449819 /nfs/dbraw/zinc/44/98/19/570449819.db2.gz BYQSPYJSIHSZJQ-GOSISDBHSA-N 0 0 377.937 5.158 40 0 GKABRN COc1ccccc1CSc1nnc(SCc2ccccc2OC)s1 ZINC000005676440 570450977 /nfs/dbraw/zinc/45/09/77/570450977.db2.gz KETIOZVNFJQWDR-UHFFFAOYSA-N 0 0 390.555 5.140 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc(C)c2C)c2ccccc2O1 ZINC000223244622 570452381 /nfs/dbraw/zinc/45/23/81/570452381.db2.gz YTRVGAMSJAXJIS-ICSRJNTNSA-N 0 0 381.516 5.270 40 0 GKABRN COc1ccc2cc([C@@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C(F)(F)F)ccc2c1 ZINC000040049939 570452718 /nfs/dbraw/zinc/45/27/18/570452718.db2.gz SHHSNYLDFQPLFO-ZNZDAUKMSA-N 0 0 379.422 5.189 40 0 GKABRN CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 ZINC000223246433 570452781 /nfs/dbraw/zinc/45/27/81/570452781.db2.gz AZKRMZNZGZEFKI-GAJHUEQPSA-N 0 0 379.544 5.508 40 0 GKABRN CC(C)c1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 ZINC000005727489 570453702 /nfs/dbraw/zinc/45/37/02/570453702.db2.gz WTGFQNHKIOCTKH-UHFFFAOYSA-N 0 0 383.447 5.836 40 0 GKABRN Cc1cc(Cl)ccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000005724928 570453732 /nfs/dbraw/zinc/45/37/32/570453732.db2.gz LVOKARPPHQRXSV-UHFFFAOYSA-N 0 0 389.076 5.082 40 0 GKABRN O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc2c3c(cccc31)CC2 ZINC000005740768 570454681 /nfs/dbraw/zinc/45/46/81/570454681.db2.gz ZDECJHPVCMWNKT-UHFFFAOYSA-N 0 0 391.430 5.394 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CSc2ccc(Cl)cc2)cc1C(C)C ZINC000223266979 570454671 /nfs/dbraw/zinc/45/46/71/570454671.db2.gz BUPOECXCVRJWCZ-OAHLLOKOSA-N 0 0 391.964 5.750 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)SCc2ccccc2)cc1C(C)C ZINC000223269013 570454687 /nfs/dbraw/zinc/45/46/87/570454687.db2.gz ZMQMYHPKLYCGDX-QZTJIDSGSA-N 0 0 385.573 5.626 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)SCc2ccccc2)cc1C(C)C ZINC000223269117 570454717 /nfs/dbraw/zinc/45/47/17/570454717.db2.gz ZMQMYHPKLYCGDX-MSOLQXFVSA-N 0 0 385.573 5.626 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223266371 570454745 /nfs/dbraw/zinc/45/47/45/570454745.db2.gz BRNSXJLRXKOBJY-VUVZNRFTSA-N 0 0 393.571 6.315 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccc(-c3ccccc3)cc2)cc1C(C)C ZINC000223272502 570455247 /nfs/dbraw/zinc/45/52/47/570455247.db2.gz OAHVSXWOSLNCLK-IBGZPJMESA-N 0 0 387.523 6.285 40 0 GKABRN COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(C)ccc2C)cc1 ZINC000223289927 570456319 /nfs/dbraw/zinc/45/63/19/570456319.db2.gz BVQCFRCADPWNGI-UHFFFAOYSA-N 0 0 381.859 6.010 40 0 GKABRN COc1cc(C)c([C@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1C(C)C ZINC000223296476 570456547 /nfs/dbraw/zinc/45/65/47/570456547.db2.gz LSBDTCPEEJTFIX-SFHVURJKSA-N 0 0 389.561 5.092 40 0 GKABRN CCOC(=O)Cc1nc2scc(-c3ccccc3)c2c(Nc2ccccc2)n1 ZINC000005796332 570457383 /nfs/dbraw/zinc/45/73/83/570457383.db2.gz JCFCDTDXUCKOPK-UHFFFAOYSA-N 0 0 389.480 5.208 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C(C)C ZINC000223310014 570457503 /nfs/dbraw/zinc/45/75/03/570457503.db2.gz WPERONNLCUMPGX-LJQANCHMSA-N 0 0 395.587 6.235 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1C(C)C ZINC000223318425 570458024 /nfs/dbraw/zinc/45/80/24/570458024.db2.gz MXCOBMGYGGXXJM-HZPDHXFCSA-N 0 0 389.923 5.425 40 0 GKABRN COc1cccc2cc(C(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)oc21 ZINC000223314758 570458060 /nfs/dbraw/zinc/45/80/60/570458060.db2.gz UJXUZOFBQWWKSQ-HNNXBMFYSA-N 0 0 381.472 5.373 40 0 GKABRN COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C ZINC000223327849 570458479 /nfs/dbraw/zinc/45/84/79/570458479.db2.gz JJYQVVNNWNGPII-UHFFFAOYSA-N 0 0 397.858 5.710 40 0 GKABRN CCOC(=O)c1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 ZINC000226236790 570458811 /nfs/dbraw/zinc/45/88/11/570458811.db2.gz UNBLRLATTHIFTB-UHFFFAOYSA-N 0 0 395.256 5.322 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1C(C)C ZINC000223332442 570459017 /nfs/dbraw/zinc/45/90/17/570459017.db2.gz ZYZWECFDJQNKLU-RBUKOAKNSA-N 0 0 383.532 5.389 40 0 GKABRN COc1cc(CNC(=O)CCCCCCCC/C=C\Br)ccc1O ZINC000005854362 570459269 /nfs/dbraw/zinc/45/92/69/570459269.db2.gz XMODDDKIFUQQLF-LCYFTJDESA-N 0 0 398.341 5.046 40 0 GKABRN COc1cc2nc(-c3cccc(Br)c3)oc2c(Br)c1 ZINC000045920276 570459286 /nfs/dbraw/zinc/45/92/86/570459286.db2.gz RETPGTBZECWALU-UHFFFAOYSA-N 0 0 383.039 5.028 40 0 GKABRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)ccc1O ZINC000005854698 570459293 /nfs/dbraw/zinc/45/92/93/570459293.db2.gz CUFAXDWQDQQKFF-DEOSSOPVSA-N 0 0 392.495 5.822 40 0 endogenous,in-man GKABRN Clc1ccc(Cc2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)cc1 ZINC000226300098 570459417 /nfs/dbraw/zinc/45/94/17/570459417.db2.gz GIDSALKRJRSNHS-UHFFFAOYSA-N 0 0 395.702 5.404 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(F)cc2)cc1C(C)C ZINC000223339553 570459671 /nfs/dbraw/zinc/45/96/71/570459671.db2.gz JXEZXHOXTBGRSZ-INIZCTEOSA-N 0 0 389.536 5.377 40 0 GKABRN Clc1ccccc1-c1nc2c(cc(Br)cc2Br)[nH]1 ZINC000226343129 570459802 /nfs/dbraw/zinc/45/98/02/570459802.db2.gz WZOOTUYIXOMKIQ-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN Clc1cccc(-c2nc3c(cc(Br)cc3Br)[nH]2)c1 ZINC000226343104 570459823 /nfs/dbraw/zinc/45/98/23/570459823.db2.gz GEFREYGDOLQFIG-UHFFFAOYSA-N 0 0 386.474 5.408 40 0 GKABRN COc1ccc(-c2nc3c(cc(C)cc3Br)[nH]2)cc1Br ZINC000226343446 570459887 /nfs/dbraw/zinc/45/98/87/570459887.db2.gz XMVFICUKISTWRC-UHFFFAOYSA-N 0 0 396.082 5.072 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2Br)c1 ZINC000223340238 570459999 /nfs/dbraw/zinc/45/99/99/570459999.db2.gz UIXVQNFJXMLMFP-AWEZNQCLSA-N 0 0 376.294 5.287 40 0 GKABRN O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCCCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 ZINC000005882625 570460143 /nfs/dbraw/zinc/46/01/43/570460143.db2.gz VGKTVTOFTZGLSR-PNQHUFSXSA-N 0 0 398.506 5.509 40 0 GKABRN COC(=O)c1cc2nc(-c3ccc(C(C)(C)C)cc3)[nH]c2c(Br)c1 ZINC000226344787 570460220 /nfs/dbraw/zinc/46/02/20/570460220.db2.gz DRTAHGQCPFKAKN-UHFFFAOYSA-N 0 0 387.277 5.077 40 0 GKABRN CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223343727 570460357 /nfs/dbraw/zinc/46/03/57/570460357.db2.gz XHTSDSKLDMSJAE-GCJKJVERSA-N 0 0 383.532 5.470 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345325 570460366 /nfs/dbraw/zinc/46/03/66/570460366.db2.gz WIDJQLZCOQUQIJ-HTAPYJJXSA-N 0 0 399.531 5.170 40 0 GKABRN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223344751 570460417 /nfs/dbraw/zinc/46/04/17/570460417.db2.gz JOVNFEFWJPTVFW-XXBNENTESA-N 0 0 397.559 5.779 40 0 GKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223345900 570460453 /nfs/dbraw/zinc/46/04/53/570460453.db2.gz UXBGTVXBMHJJCX-UGKGYDQZSA-N 0 0 397.559 5.779 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1C(C)C ZINC000223351449 570460857 /nfs/dbraw/zinc/46/08/57/570460857.db2.gz UQASXTLDYQFEFZ-RBUKOAKNSA-N 0 0 383.532 5.389 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1C(C)C ZINC000223351752 570460914 /nfs/dbraw/zinc/46/09/14/570460914.db2.gz DYYNEMLWUFSZMT-MOPGFXCFSA-N 0 0 383.532 5.389 40 0 GKABRN CCc1ccc(-c2nc3c(cc(Br)cc3Br)[nH]2)cc1 ZINC000226342762 570460965 /nfs/dbraw/zinc/46/09/65/570460965.db2.gz XUOKRHXIVFAVCN-UHFFFAOYSA-N 0 0 380.083 5.317 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SC(C)C)cc1C(C)C ZINC000223354005 570461308 /nfs/dbraw/zinc/46/13/08/570461308.db2.gz CJSRQPJCMRRLHI-KRWDZBQOSA-N 0 0 385.573 6.119 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2F)cc1C(C)C ZINC000223369650 570462160 /nfs/dbraw/zinc/46/21/60/570462160.db2.gz RHRGLSQTIOFDQH-INIZCTEOSA-N 0 0 389.536 5.377 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2)cc1C(C)C ZINC000223371470 570462231 /nfs/dbraw/zinc/46/22/31/570462231.db2.gz WTJRYHJKEIWYFC-GOSISDBHSA-N 0 0 391.511 5.536 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2ccccc2C(C)(C)C)cc1C(C)C ZINC000223370941 570462252 /nfs/dbraw/zinc/46/22/52/570462252.db2.gz KNCVDDAQMYKAHU-GOSISDBHSA-N 0 0 397.559 5.681 40 0 GKABRN COc1cc(C)c([C@H](C)NC(=O)CSCc2cccc(C)c2)cc1C(C)C ZINC000223370048 570462315 /nfs/dbraw/zinc/46/23/15/570462315.db2.gz LDBQTNHVMUVCIV-SFHVURJKSA-N 0 0 385.573 5.546 40 0 GKABRN COc1cc(C)c([C@@H](C)NC(=O)COc2cccc3c2CCCC3)cc1C(C)C ZINC000223376342 570462590 /nfs/dbraw/zinc/46/25/90/570462590.db2.gz BIUICUBMGFELKR-GOSISDBHSA-N 0 0 395.543 5.262 40 0 GKABRN COc1ccc(C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1Cl ZINC000223377794 570462664 /nfs/dbraw/zinc/46/26/64/570462664.db2.gz YISAYPCMCGREQL-AWEZNQCLSA-N 0 0 375.896 5.280 40 0 GKABRN CCc1ccc(O[C@@H](CC)C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 ZINC000223372104 570462722 /nfs/dbraw/zinc/46/27/22/570462722.db2.gz WXXDSKZJAYEJKF-MBSDFSHPSA-N 0 0 397.559 5.724 40 0 GKABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C ZINC000223372955 570462808 /nfs/dbraw/zinc/46/28/08/570462808.db2.gz USZDZHYVTUDBLQ-AUSIDOKSSA-N 0 0 397.559 5.779 40 0 GKABRN CCOc1ccc(NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)cc1 ZINC000005953652 570462960 /nfs/dbraw/zinc/46/29/60/570462960.db2.gz CAUHWENOYDPIFL-FOGQJOEMSA-N 0 0 383.491 5.567 40 0 GKABRN CCOc1ccc(NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C)cc1 ZINC000005953656 570462963 /nfs/dbraw/zinc/46/29/63/570462963.db2.gz CAUHWENOYDPIFL-RLPBHKMUSA-N 0 0 383.491 5.567 40 0 GKABRN COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000223379676 570463040 /nfs/dbraw/zinc/46/30/40/570463040.db2.gz WZSINWBEIKLMRA-AUSIDOKSSA-N 0 0 397.559 5.798 40 0 GKABRN COc1ccc(CCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C ZINC000223378683 570463050 /nfs/dbraw/zinc/46/30/50/570463050.db2.gz CBPVAMGWBROWKY-GOSISDBHSA-N 0 0 383.532 5.254 40 0 GKABRN C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000223391227 570463667 /nfs/dbraw/zinc/46/36/67/570463667.db2.gz RFJCAXMJLDLTLY-ZDUSSCGKSA-N 0 0 381.884 6.359 40 0 GKABRN COCc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 ZINC000223395948 570463682 /nfs/dbraw/zinc/46/36/82/570463682.db2.gz GAYKKNPLUDOZIV-UHFFFAOYSA-N 0 0 397.927 6.031 40 0 GKABRN CCc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1 ZINC000223403627 570464098 /nfs/dbraw/zinc/46/40/98/570464098.db2.gz SNZMKTDRFXEUPK-UHFFFAOYSA-N 0 0 395.886 5.885 40 0 GKABRN O=C(CSCc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 ZINC000223403151 570464108 /nfs/dbraw/zinc/46/41/08/570464108.db2.gz INXURQMUXVUORY-UHFFFAOYSA-N 0 0 381.884 6.111 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 ZINC000006029729 570464550 /nfs/dbraw/zinc/46/45/50/570464550.db2.gz HIXFGVVLANTQBH-UHFFFAOYSA-N 0 0 384.435 5.554 40 0 GKABRN Cc1ccc(/C=C2\C(=O)Nc3c2cc(Br)cc3Br)s1 ZINC000006034323 570464574 /nfs/dbraw/zinc/46/45/74/570464574.db2.gz BUKNOBPTBVEUEC-WDZFZDKYSA-N 0 0 399.107 5.074 40 0 GKABRN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000223411294 570464670 /nfs/dbraw/zinc/46/46/70/570464670.db2.gz LSTOSJLLMZQISB-CYBMUJFWSA-N 0 0 399.840 6.197 40 0 GKABRN O=C(COc1ccc(Cl)cc1Cl)OC(c1ccccc1)c1ccccc1 ZINC000006061862 570465249 /nfs/dbraw/zinc/46/52/49/570465249.db2.gz OPHNHHVXLSENHE-UHFFFAOYSA-N 0 0 387.262 5.705 40 0 GKABRN Cc1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000223423077 570465443 /nfs/dbraw/zinc/46/54/43/570465443.db2.gz JKURHWJIJSKRPS-HEHNFIMWSA-N 0 0 391.898 5.384 40 0 GKABRN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(Cl)cc1 ZINC000223425821 570465631 /nfs/dbraw/zinc/46/56/31/570465631.db2.gz GMBUIISRNQQWSW-JOCHJYFZSA-N 0 0 385.935 5.125 40 0 GKABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C ZINC000223448360 570466550 /nfs/dbraw/zinc/46/65/50/570466550.db2.gz GULLSSZAWXHVHE-AWEZNQCLSA-N 0 0 386.344 5.099 40 0 GKABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C ZINC000223445836 570466718 /nfs/dbraw/zinc/46/67/18/570466718.db2.gz YWCMKVYLHXWQCG-AWEZNQCLSA-N 0 0 386.344 5.099 40 0 GKABRN O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1ccccc1)c1ccccc1 ZINC000223447847 570466732 /nfs/dbraw/zinc/46/67/32/570466732.db2.gz GZOPKTKDMASYRG-OQKWZONESA-N 0 0 377.871 5.076 40 0 GKABRN O=C(/C=C\c1ccccc1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000006133057 570467203 /nfs/dbraw/zinc/46/72/03/570467203.db2.gz QKGKXYMPAZSHJK-WDZFZDKYSA-N 0 0 385.286 5.225 40 0 GKABRN Clc1cc(-c2nc3cc(-c4ccccc4)ccc3o2)ccc1Br ZINC000057351623 570468062 /nfs/dbraw/zinc/46/80/62/570468062.db2.gz KNSHTWNRFGTESN-UHFFFAOYSA-N 0 0 384.660 6.578 40 0 GKABRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)cc1C(C)C ZINC000223500236 570468608 /nfs/dbraw/zinc/46/86/08/570468608.db2.gz VSCXGCLTMCREFR-SFHVURJKSA-N 0 0 389.561 5.092 40 0 GKABRN CCC1(CC)C[C@H](NC(=O)CSCc2cccc(C)c2)c2ccccc2O1 ZINC000223502367 570468809 /nfs/dbraw/zinc/46/88/09/570468809.db2.gz LAGPKNFNTRXDRI-FQEVSTJZSA-N 0 0 383.557 5.427 40 0 GKABRN Cc1ccc([C@@H](NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc2)c(C)c1 ZINC000223519305 570469644 /nfs/dbraw/zinc/46/96/44/570469644.db2.gz ACIVKKKRKXCGAK-VWLOTQADSA-N 0 0 399.534 5.257 40 0 GKABRN Cc1cc(-c2cc(C)ccc2NC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)n[nH]1 ZINC000035316543 570470025 /nfs/dbraw/zinc/47/00/25/570470025.db2.gz DNFUPWJPCADJTD-UHFFFAOYSA-N 0 0 386.499 5.281 40 0 GKABRN Cc1[nH]c2c(cc(C)cc2C)c1CC(=O)Nc1cc(-c2csnn2)ccc1C ZINC000035316554 570470039 /nfs/dbraw/zinc/47/00/39/570470039.db2.gz VXKMLDMTHIZNHD-UHFFFAOYSA-N 0 0 390.512 5.101 40 0 GKABRN Cc1cc(-c2cc(C)ccc2NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)n[nH]1 ZINC000035316573 570470442 /nfs/dbraw/zinc/47/04/42/570470442.db2.gz PCOVLPBSOVWYMD-OAHLLOKOSA-N 0 0 392.503 5.085 40 0 GKABRN Cc1cc2cc(NC(=O)CCc3nc(-c4cccc(C)c4)no3)cc(Cl)c2o1 ZINC000035322684 570470619 /nfs/dbraw/zinc/47/06/19/570470619.db2.gz WQESOCIHFZRZNQ-UHFFFAOYSA-N 0 0 395.846 5.324 40 0 GKABRN Cc1ccc(C)c(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)c1 ZINC000035310909 570470790 /nfs/dbraw/zinc/47/07/90/570470790.db2.gz QRCBYZJTCFPXNY-UHFFFAOYSA-N 0 0 398.491 5.020 40 0 GKABRN Cc1cc(C)cc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)c1 ZINC000035310910 570470794 /nfs/dbraw/zinc/47/07/94/570470794.db2.gz QHTQCKAHSAANNA-UHFFFAOYSA-N 0 0 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CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1cccc(OC)c1 ZINC000224586018 222658875 /nfs/dbraw/zinc/65/88/75/222658875.db2.gz QHQMMWALFRLJAI-UHFFFAOYSA-N 0 0 391.467 5.234 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccccc1 ZINC000224651487 222660045 /nfs/dbraw/zinc/66/00/45/222660045.db2.gz XCDZCKSDJMVSBO-UHFFFAOYSA-N 0 0 397.927 6.283 40 0 GKABRN CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COC ZINC000224689998 222660918 /nfs/dbraw/zinc/66/09/18/222660918.db2.gz OYKSQQBFJGGTFD-UHFFFAOYSA-N 0 0 377.440 5.276 40 0 GKABRN CCCOCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC ZINC000224708784 222660940 /nfs/dbraw/zinc/66/09/40/222660940.db2.gz JHMKLYYFYXNIQN-UHFFFAOYSA-N 0 0 395.543 5.107 40 0 GKABRN CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 ZINC000224724477 222661168 /nfs/dbraw/zinc/66/11/68/222661168.db2.gz IDESELXCRVQDCI-MOPGFXCFSA-N 0 0 397.515 5.051 40 0 GKABRN CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COC(C)C ZINC000224716289 222661379 /nfs/dbraw/zinc/66/13/79/222661379.db2.gz OFSWRKXJXOHBPO-UHFFFAOYSA-N 0 0 382.287 5.569 40 0 GKABRN CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COC(C)C ZINC000224713750 222661595 /nfs/dbraw/zinc/66/15/95/222661595.db2.gz JIYNLFIEHDYPMP-UHFFFAOYSA-N 0 0 396.314 5.247 40 0 GKABRN Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 ZINC000225000328 222666455 /nfs/dbraw/zinc/66/64/55/222666455.db2.gz LPUUYHYKSFLKDO-UHFFFAOYSA-N 0 0 379.931 6.369 40 0 GKABRN CCc1ccccc1-n1nc(-c2ccc(C)cc2C)cc1-c1ccc(C)cc1C ZINC000036611271 210154208 /nfs/dbraw/zinc/15/42/08/210154208.db2.gz NSKINYYIFWQQAP-UHFFFAOYSA-N 0 0 380.535 7.002 40 0 GKABRN Fc1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 ZINC000225444487 222678341 /nfs/dbraw/zinc/67/83/41/222678341.db2.gz HIMMESIAVWQSBB-UHFFFAOYSA-N 0 0 382.529 5.605 40 0 GKABRN Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)s2)cc1 ZINC000225484797 222680002 /nfs/dbraw/zinc/68/00/02/222680002.db2.gz NRHZDXKATQZUEW-OAHLLOKOSA-N 0 0 381.501 5.043 40 0 GKABRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 ZINC000225550182 222682273 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CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc4ccccc43)n2)cc1 ZINC000225835751 222699699 /nfs/dbraw/zinc/69/96/99/222699699.db2.gz OSLYCUCTFDNXET-UHFFFAOYSA-N 0 0 385.467 5.585 40 0 GKABRN O=S(=O)(Nc1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226862133 222707004 /nfs/dbraw/zinc/70/70/04/222707004.db2.gz YZBYLKVRKPFUBZ-UHFFFAOYSA-N 0 0 385.488 5.406 40 0 GKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 ZINC000225849273 222700563 /nfs/dbraw/zinc/70/05/63/222700563.db2.gz CXIGCQAXDLIIBL-KBMIEXCESA-N 0 0 399.575 6.721 40 0 GKABRN CCCO[C@@]1(C(=O)Nc2ccc(OCC)c(C(F)(F)F)c2)CCC[C@H](C)C1 ZINC000225853205 222701044 /nfs/dbraw/zinc/70/10/44/222701044.db2.gz NQTMFEQERBUVIK-LIRRHRJNSA-N 0 0 387.442 5.418 40 0 GKABRN CCCOc1ncc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C ZINC000225906735 222702882 /nfs/dbraw/zinc/70/28/82/222702882.db2.gz GHMCMBXPUNAMOQ-UHFFFAOYSA-N 0 0 378.557 5.375 40 0 GKABRN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Br)c1 ZINC000014649490 210123412 /nfs/dbraw/zinc/12/34/12/210123412.db2.gz 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CC1=CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 ZINC000002146627 209349098 /nfs/dbraw/zinc/34/90/98/209349098.db2.gz VPAXJOUATWLOPR-LJFZDNNRSA-N 0 0 380.484 5.150 40 0 endogenous,in-man GKABRN O=C(OC(c1ccccc1)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1 ZINC000001559258 209332696 /nfs/dbraw/zinc/33/26/96/209332696.db2.gz QVHAJEIFUSGLAK-UHFFFAOYSA-N 0 0 382.687 5.517 40 0 GKABRN O=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)c1cccnc1Cl ZINC000002158631 209348229 /nfs/dbraw/zinc/34/82/29/209348229.db2.gz MYLWKFZYXCQIDJ-UHFFFAOYSA-N 0 0 382.794 5.735 40 0 GKABRN CC(=O)C[C@]1(c2ccccc2)C=C(c2ccccc2)C=C(c2ccccc2)S1 ZINC000002146341 209347512 /nfs/dbraw/zinc/34/75/12/209347512.db2.gz ROEBWGZQOWFHTE-AREMUKBSSA-N 0 0 382.528 6.733 40 0 GKABRN CC(=O)c1c2c(cc3c1CCCC3)C[C@]1(Cc3cc4c(cc3C1)C(=O)CCC4)C2 ZINC000001855655 209341789 /nfs/dbraw/zinc/34/17/89/209341789.db2.gz GCPNCPDTRKNBFJ-HHHXNRCGSA-N 0 0 384.519 5.171 40 0 GKABRN COC(=O)c1c2c(cc3c1CCCC3)CC1(Cc3cc4c(cc3C1)CCCC4)C2 ZINC000001855654 209341599 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GKABRN CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224623942 211867415 /nfs/dbraw/zinc/86/74/15/211867415.db2.gz SKKXUTINVDUMDG-UHFFFAOYSA-N 0 0 381.516 5.153 40 0 GKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000038754254 205036808 /nfs/dbraw/zinc/03/68/08/205036808.db2.gz NGWPSVFPGWWPJM-OAHLLOKOSA-N 0 0 375.749 5.294 40 0 GKABRN Cc1ccc([C@H](NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000038753439 205036876 /nfs/dbraw/zinc/03/68/76/205036876.db2.gz AAVKRWGGCDGENG-XMMPIXPASA-N 0 0 387.504 5.216 40 0 GKABRN CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1 ZINC000038754479 205037261 /nfs/dbraw/zinc/03/72/61/205037261.db2.gz INGNHQORBVKVQH-SFHVURJKSA-N 0 0 391.536 5.947 40 0 GKABRN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038833647 205038619 /nfs/dbraw/zinc/03/86/19/205038619.db2.gz DUYZZJJUWQTMIN-KRWDZBQOSA-N 0 0 391.342 5.407 40 0 GKABRN CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C ZINC000038754964 205038865 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ZINC000040556453 205068051 /nfs/dbraw/zinc/06/80/51/205068051.db2.gz UPVYUBDQFMHFKF-UHFFFAOYSA-N 0 0 398.557 5.572 40 0 GKABRN Cc1nn(C(C)C)c(C)c1CN(CCCn1ccnc1)Cc1ccccc1Cl ZINC000043277793 205083745 /nfs/dbraw/zinc/08/37/45/205083745.db2.gz AISMFFHAXLAOII-UHFFFAOYSA-N 0 0 399.970 5.023 40 0 GKABRN COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1 ZINC000224199982 211855695 /nfs/dbraw/zinc/85/56/95/211855695.db2.gz OMNRXSVKWKGFQM-UHFFFAOYSA-N 0 0 395.543 5.734 40 0 GKABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000044841250 205087184 /nfs/dbraw/zinc/08/71/84/205087184.db2.gz LPVQSBWMVPHWJO-XMMPIXPASA-N 0 0 395.502 5.903 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000044885566 205088093 /nfs/dbraw/zinc/08/80/93/205088093.db2.gz LOSXAUQDUNHIKW-DNQXCXABSA-N 0 0 389.495 5.067 40 0 GKABRN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000044880182 205088330 /nfs/dbraw/zinc/08/83/30/205088330.db2.gz MOKHOUZPMZVRHD-NSHDSACASA-N 0 0 386.706 6.176 40 0 GKABRN CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccccc1 ZINC000044844172 205088363 /nfs/dbraw/zinc/08/83/63/205088363.db2.gz NYOGUIAQDIUEGO-HSZRJFAPSA-N 0 0 375.537 6.168 40 0 GKABRN Cc1cc(Cl)ccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000044884501 205088501 /nfs/dbraw/zinc/08/85/01/205088501.db2.gz YIWLFONIDUKBHS-UHFFFAOYSA-N 0 0 397.927 6.072 40 0 GKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000044899970 205088966 /nfs/dbraw/zinc/08/89/66/205088966.db2.gz ARSDEFJNKLDBPK-XMMPIXPASA-N 0 0 389.495 5.679 40 0 GKABRN CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1 ZINC000044901651 205089460 /nfs/dbraw/zinc/08/94/60/205089460.db2.gz FBBMBLWEGVTHTH-QFIPXVFZSA-N 0 0 379.525 5.047 40 0 GKABRN Cc1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000044901112 205089494 /nfs/dbraw/zinc/08/94/94/205089494.db2.gz MKPQEKUMHKAERR-SFQUDFHCSA-N 0 0 397.518 6.175 40 0 GKABRN Cc1ccc([C@@H](NC(=O)CSc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000044902233 205089593 /nfs/dbraw/zinc/08/95/93/205089593.db2.gz SNHVHAMAJVZYFJ-QFIPXVFZSA-N 0 0 381.928 5.646 40 0 GKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000044946211 205091001 /nfs/dbraw/zinc/09/10/01/205091001.db2.gz IZQAIHMJBIIYHE-OAHLLOKOSA-N 0 0 383.900 5.897 40 0 GKABRN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000044949511 205091009 /nfs/dbraw/zinc/09/10/09/205091009.db2.gz BZYLUSWZTNWWKF-JOCHJYFZSA-N 0 0 375.468 5.892 40 0 GKABRN CCOc1ccc(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000044949366 205091033 /nfs/dbraw/zinc/09/10/33/205091033.db2.gz AYYNOZFJOLTTSE-UHFFFAOYSA-N 0 0 382.287 5.362 40 0 GKABRN Cc1c2ccccc2oc1-c1nnc2sc(Cc3cccc4ccccc43)nn21 ZINC000096194273 209133317 /nfs/dbraw/zinc/13/33/17/209133317.db2.gz FIEGAAHHUSKMTO-UHFFFAOYSA-N 0 0 396.475 5.651 40 0 GKABRN CC(C)c1ccc(OCC(=O)Nc2ccccc2Cl)c(Br)c1 ZINC000040942920 205075225 /nfs/dbraw/zinc/07/52/25/205075225.db2.gz NOOSCFYONRUKMP-UHFFFAOYSA-N 0 0 382.685 5.243 40 0 GKABRN CC(C)c1ccc(OCC(=O)Nc2cccc3ccccc32)c(Br)c1 ZINC000040943665 205075306 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CCN(CC)c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N ZINC000072229412 207989887 /nfs/dbraw/zinc/98/98/87/207989887.db2.gz GXIBAWYMYHNTRW-UHFFFAOYSA-N 0 0 386.710 5.328 40 0 GKABRN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1 ZINC000072356335 208000784 /nfs/dbraw/zinc/00/07/84/208000784.db2.gz FZQWJUKLGFOKPB-LJQANCHMSA-N 0 0 383.854 5.237 40 0 GKABRN O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380379 208011687 /nfs/dbraw/zinc/01/16/87/208011687.db2.gz MVZSWKKFVZQDRQ-HXUWFJFHSA-N 0 0 397.881 5.166 40 0 GKABRN CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccccc2Cl)cc1 ZINC000016161716 208150192 /nfs/dbraw/zinc/15/01/92/208150192.db2.gz SIQAEQNWHQGJFR-PMACEKPBSA-N 0 0 399.918 5.391 40 0 GKABRN COC(=O)c1ccc(N[C@@H]2N=CNc3scc(-c4ccc(Cl)cc4)c32)cc1 ZINC000016756568 208153188 /nfs/dbraw/zinc/15/31/88/208153188.db2.gz AAZNRCOLJLGUQE-SFHVURJKSA-N 0 0 397.887 5.229 40 0 GKABRN c1c2ccccc2oc1-c1nnc2sc(COc3cccc4ccccc43)nn21 ZINC000096193927 208282992 /nfs/dbraw/zinc/28/29/92/208282992.db2.gz IDTRDJCXAZRDMC-UHFFFAOYSA-N 0 0 398.447 5.331 40 0 GKABRN Cc1c2ccccc2oc1-c1nnc2sc(COc3ccc(C)c(C)c3)nn21 ZINC000096194312 208284032 /nfs/dbraw/zinc/28/40/32/208284032.db2.gz ONCXGIPOQDFKDO-UHFFFAOYSA-N 0 0 390.468 5.103 40 0 GKABRN Cc1c2ccccc2oc1-c1nnc2sc(/C=C/c3cccc(Cl)c3)nn21 ZINC000096194381 208284684 /nfs/dbraw/zinc/28/46/84/208284684.db2.gz VSPVLBQBRRMZMP-MDZDMXLPSA-N 0 0 392.871 5.731 40 0 GKABRN Clc1ccc(-c2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)o2)cc1 ZINC000096306130 208305059 /nfs/dbraw/zinc/30/50/59/208305059.db2.gz GYHIJCXULMLQDU-UHFFFAOYSA-N 0 0 381.862 7.482 40 0 GKABRN COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000017078504 208362748 /nfs/dbraw/zinc/36/27/48/208362748.db2.gz QCMDHDLHZGPAFH-UHFFFAOYSA-N 0 0 384.479 5.840 40 0 GKABRN CO[C@H](C(=O)Nc1ccc(CSc2ccccc2)cc1C)c1ccccc1 ZINC000408923347 533051987 /nfs/dbraw/zinc/05/19/87/533051987.db2.gz CARGLAONVYNDRT-QFIPXVFZSA-N 0 0 377.509 5.614 40 0 GKABRN 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ZINC000020492789 210340897 /nfs/dbraw/zinc/34/08/97/210340897.db2.gz BVLPVKGOVFYSTD-QHCPKHFHSA-N 0 0 379.887 5.241 40 0 GKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 ZINC000020483671 210340311 /nfs/dbraw/zinc/34/03/11/210340311.db2.gz WOHJOSRKRVQTMF-VQTJNVASSA-N 0 0 389.923 5.410 40 0 GKABRN CCCc1nc2sc(C)c(C)c2c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000004241085 208539937 /nfs/dbraw/zinc/53/99/37/208539937.db2.gz BWSXIDKZACZGRF-UHFFFAOYSA-N 0 0 390.961 5.889 40 0 GKABRN CCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 ZINC000020482489 210340160 /nfs/dbraw/zinc/34/01/60/210340160.db2.gz VGBSYQPDCNIBBM-QHCPKHFHSA-N 0 0 391.511 5.145 40 0 GKABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000020483976 210339890 /nfs/dbraw/zinc/33/98/90/210339890.db2.gz ZKYYOOOTQCDCJY-INIZCTEOSA-N 0 0 385.813 5.772 40 0 GKABRN Cc1ccc([C@H](NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 ZINC000020460888 210338435 /nfs/dbraw/zinc/33/84/35/210338435.db2.gz NFJWXAPQBGJUCC-RUZDIDTESA-N 0 0 387.523 5.577 40 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210334284 /nfs/dbraw/zinc/33/42/84/210334284.db2.gz BJADYSHIYYZWQS-ZDUSSCGKSA-N 0 0 388.305 5.390 40 0 GKABRN COc1ccc(OC)c(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 ZINC000020447896 210333668 /nfs/dbraw/zinc/33/36/68/210333668.db2.gz CLPUNNCKQZUQFA-UHFFFAOYSA-N 0 0 397.858 5.331 40 0 GKABRN CCc1ccc(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 ZINC000020197197 210322617 /nfs/dbraw/zinc/32/26/17/210322617.db2.gz FCZHWOVJRFKBEA-UHFFFAOYSA-N 0 0 379.312 5.822 40 0 GKABRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(OCc2ccccc2)cc1 ZINC000020145000 210320140 /nfs/dbraw/zinc/32/01/40/210320140.db2.gz GIPWFTFWAFPDIC-UHFFFAOYSA-N 0 0 399.446 5.270 40 0 GKABRN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000020110585 210317890 /nfs/dbraw/zinc/31/78/90/210317890.db2.gz VGXSBXDJTDKVJJ-QFIPXVFZSA-N 0 0 377.440 5.284 40 0 GKABRN CCCCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 ZINC000020141792 210317764 /nfs/dbraw/zinc/31/77/64/210317764.db2.gz ATZMTZINJQEDEY-UHFFFAOYSA-N 0 0 399.874 5.524 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc32)c(C)c1 ZINC000020109125 210316821 /nfs/dbraw/zinc/31/68/21/210316821.db2.gz LOOISSBQDGAMDK-NRFANRHFSA-N 0 0 391.467 5.121 40 0 GKABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000020108733 210316274 /nfs/dbraw/zinc/31/62/74/210316274.db2.gz JRUBNELJYYOHGJ-OAQYLSRUSA-N 0 0 393.508 5.643 40 0 GKABRN CCOC(=O)c1ccc(C)c(NC(=O)[C@H](CC)Oc2cccc3ccccc32)c1 ZINC000020106352 210315628 /nfs/dbraw/zinc/31/56/28/210315628.db2.gz NZTVCODWCAQCFJ-NRFANRHFSA-N 0 0 391.467 5.121 40 0 GKABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1Cl ZINC000020107248 210315516 /nfs/dbraw/zinc/31/55/16/210315516.db2.gz WBDDASRJZKOPGW-LLVKDONJSA-N 0 0 398.311 5.289 40 0 GKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000020045682 210313782 /nfs/dbraw/zinc/31/37/82/210313782.db2.gz UTDHDFOTCSVSLX-JOCHJYFZSA-N 0 0 393.914 5.726 40 0 GKABRN C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 ZINC000020025311 210312158 /nfs/dbraw/zinc/31/21/58/210312158.db2.gz JDRIBZJQAZQSMZ-INIZCTEOSA-N 0 0 394.312 5.458 40 0 GKABRN Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 ZINC000019817319 210299753 /nfs/dbraw/zinc/29/97/53/210299753.db2.gz QOVRGEIKFZRKOB-CQSZACIVSA-N 0 0 393.899 5.357 40 0 GKABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 ZINC000019933321 210309152 /nfs/dbraw/zinc/30/91/52/210309152.db2.gz FWZDADBLWAZSOW-HXUWFJFHSA-N 0 0 391.964 5.164 40 0 GKABRN COc1ccc(C)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C ZINC000019894091 210306459 /nfs/dbraw/zinc/30/64/59/210306459.db2.gz QRKNXMDSMOPAAX-UHFFFAOYSA-N 0 0 388.492 5.841 40 0 GKABRN Cc1cc(Cc2ccc(F)cc2)cc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 ZINC000019691839 210281023 /nfs/dbraw/zinc/28/10/23/210281023.db2.gz NBOHBXDCZGOIQB-JOCHJYFZSA-N 0 0 392.518 5.016 40 0 GKABRN Fc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccccc3)C2)cc1 ZINC000005018234 208663727 /nfs/dbraw/zinc/66/37/27/208663727.db2.gz SJOFEAWJTPBZAH-NRFANRHFSA-N 0 0 385.269 6.488 40 0 GKABRN COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2)C[C@@H]3c2ccncc2)cc1 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ZINC000409113980 533913641 /nfs/dbraw/zinc/91/36/41/533913641.db2.gz JZBXYVSTVLZKPI-UHFFFAOYSA-N 0 0 383.491 6.348 40 0 GKABRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 ZINC000107041985 533910890 /nfs/dbraw/zinc/91/08/90/533910890.db2.gz ZKHXBDGRDCENJJ-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000006380902 533911002 /nfs/dbraw/zinc/91/10/02/533911002.db2.gz BLVUPFLWZWGSQC-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409120516 533911880 /nfs/dbraw/zinc/91/18/80/533911880.db2.gz WOWGLNPILYMKIZ-UHFFFAOYSA-N 0 0 399.893 6.296 40 0 GKABRN COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccccc1Cl ZINC000409112103 533911927 /nfs/dbraw/zinc/91/19/27/533911927.db2.gz BXDIBQGBTBFJIG-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl ZINC000107041042 533911997 /nfs/dbraw/zinc/91/19/97/533911997.db2.gz LKGQKGRLCHTMQN-UHFFFAOYSA-N 0 0 381.903 6.157 40 0 GKABRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc(F)c1 ZINC000408605776 533914204 /nfs/dbraw/zinc/91/42/04/533914204.db2.gz GSFOORLOKBSYLT-UHFFFAOYSA-N 0 0 389.829 5.818 40 0 GKABRN COc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000107034989 533914777 /nfs/dbraw/zinc/91/47/77/533914777.db2.gz BFEMGHUTKBTATN-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000408706029 533926994 /nfs/dbraw/zinc/92/69/94/533926994.db2.gz TWELVGWGBWTRGW-SECBINFHSA-N 0 0 389.076 5.162 40 0 GKABRN C[C@@H](SCc1ccccc1)C(=O)NCCSCc1c(F)cccc1Cl ZINC000409025371 533999260 /nfs/dbraw/zinc/99/92/60/533999260.db2.gz QBQYTLLKYMZPOU-CQSZACIVSA-N 0 0 397.968 5.150 40 0 GKABRN Cc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408571324 534052631 /nfs/dbraw/zinc/05/26/31/534052631.db2.gz BADXCEZUPKNBFN-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN Cc1ccc(CNC(=S)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408578567 534052669 /nfs/dbraw/zinc/05/26/69/534052669.db2.gz YVJZLKSPWHLDNV-UHFFFAOYSA-N 0 0 381.928 5.693 40 0 GKABRN COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 ZINC000225870545 534059013 /nfs/dbraw/zinc/05/90/13/534059013.db2.gz ZBRTWDKUXFOBNV-UHFFFAOYSA-N 0 0 379.287 5.238 40 0 GKABRN Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)C(C)(C)C)c3)oc2c(C)c1 ZINC000408628556 534129834 /nfs/dbraw/zinc/12/98/34/534129834.db2.gz UTOJHWZEECBWMF-UHFFFAOYSA-N 0 0 395.528 5.279 40 0 GKABRN Cc1cc2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc2c(C)c1 ZINC000408620554 534150790 /nfs/dbraw/zinc/15/07/90/534150790.db2.gz HHFRGYJHGCDYEV-UHFFFAOYSA-N 0 0 394.540 5.978 40 0 GKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3)n2C)cc1C ZINC000409201741 534160929 /nfs/dbraw/zinc/16/09/29/534160929.db2.gz PJESEGMLNDUVJH-QPLCGJKRSA-N 0 0 398.531 5.779 40 0 GKABRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccs3)n2C)cc1 ZINC000409204721 534161852 /nfs/dbraw/zinc/16/18/52/534161852.db2.gz ISWUZZKYIVWIDD-FCQUAONHSA-N 0 0 390.533 5.532 40 0 GKABRN COc1ccccc1Nc1nc(-c2ccc(Br)cc2)c(C)s1 ZINC000409047804 534164220 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Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(C)c2)cc1 ZINC000408724412 534180028 /nfs/dbraw/zinc/18/00/28/534180028.db2.gz JXBIZGRSOPYPDR-UHFFFAOYSA-N 0 0 395.506 6.025 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2ccccc2)cc1 ZINC000408725049 534180054 /nfs/dbraw/zinc/18/00/54/534180054.db2.gz NVLRJQQABIOOTK-UHFFFAOYSA-N 0 0 395.506 6.223 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccccc2)cc1 ZINC000408724487 534180568 /nfs/dbraw/zinc/18/05/68/534180568.db2.gz LDOVTKJUOASVRO-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3C)nn2-c2cccc(C)c2)cc1 ZINC000408724156 534181776 /nfs/dbraw/zinc/18/17/76/534181776.db2.gz GOGLLDJXUCHPGJ-UHFFFAOYSA-N 0 0 381.479 5.717 40 0 GKABRN Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3Cl)n2)cc1 ZINC000409388964 534182380 /nfs/dbraw/zinc/18/23/80/534182380.db2.gz OHODEEBWNWPRHF-UHFFFAOYSA-N 0 0 383.904 5.145 40 0 GKABRN Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2)cc1 ZINC000408726650 534182764 /nfs/dbraw/zinc/18/27/64/534182764.db2.gz SIXSALLTSYFZRU-UHFFFAOYSA-N 0 0 387.870 5.753 40 0 GKABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC2=CCCCC2)cc1 ZINC000408675785 534184281 /nfs/dbraw/zinc/18/42/81/534184281.db2.gz KLZMJDFRBOZIPC-UHFFFAOYSA-N 0 0 386.495 5.104 40 0 GKABRN COc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000107030672 534186157 /nfs/dbraw/zinc/18/61/57/534186157.db2.gz LSMARTLSYCSHRS-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN COc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000106978801 534186306 /nfs/dbraw/zinc/18/63/06/534186306.db2.gz DLMQGSUWIYTWSS-UHFFFAOYSA-N 0 0 398.300 5.649 40 0 GKABRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 ZINC000409137082 534187080 /nfs/dbraw/zinc/18/70/80/534187080.db2.gz WGQCIVNOSOXBTC-UHFFFAOYSA-N 0 0 388.294 6.193 40 0 GKABRN Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 ZINC000409198906 534189880 /nfs/dbraw/zinc/18/98/80/534189880.db2.gz MKUMBHHFXNBOCS-UHFFFAOYSA-N 0 0 376.239 5.726 40 0 GKABRN Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cc(C)ccc2C)cc1 ZINC000408699847 534207965 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Cc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccccc2)cc1 ZINC000408825365 534236847 /nfs/dbraw/zinc/23/68/47/534236847.db2.gz BFNGHKOSHQLYEH-UHFFFAOYSA-N 0 0 384.504 6.346 40 0 GKABRN Cc1ccc(-c2sc(NC(=O)c3cccs3)nc2-c2ccccc2)cc1 ZINC000408836835 534237002 /nfs/dbraw/zinc/23/70/02/534237002.db2.gz WCTWVGPMGKKOGY-UHFFFAOYSA-N 0 0 376.506 6.099 40 0 GKABRN Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccccc2)cc1 ZINC000408828869 534237042 /nfs/dbraw/zinc/23/70/42/534237042.db2.gz OCVASCHUEKMBJK-UHFFFAOYSA-N 0 0 388.467 6.177 40 0 GKABRN Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1C ZINC000222627773 534239789 /nfs/dbraw/zinc/23/97/89/534239789.db2.gz QZAJYCMGKIXOMV-BULFRSBZSA-N 0 0 388.540 5.078 40 0 GKABRN Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1C ZINC000222627828 534239859 /nfs/dbraw/zinc/23/98/59/534239859.db2.gz QZAJYCMGKIXOMV-HSQYWUDLSA-N 0 0 388.540 5.078 40 0 GKABRN Cc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408811570 534248255 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S=C(NC[C@H]1CCCO1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000408571902 534458550 /nfs/dbraw/zinc/45/85/50/534458550.db2.gz DEAVKGFLZSDANL-QGZVFWFLSA-N 0 0 396.339 5.017 40 0 GKABRN S=C(NCCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408578301 534458972 /nfs/dbraw/zinc/45/89/72/534458972.db2.gz XIMNPGDCJHHJOS-UHFFFAOYSA-N 0 0 381.928 5.427 40 0 GKABRN Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000408578818 534464972 /nfs/dbraw/zinc/46/49/72/534464972.db2.gz ZLRJGJZZMMDCAC-UHFFFAOYSA-N 0 0 385.891 5.523 40 0 GKABRN Fc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1 ZINC000409115912 534472525 /nfs/dbraw/zinc/47/25/25/534472525.db2.gz JRYAJHVYWGWBHP-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000409182682 534472571 /nfs/dbraw/zinc/47/25/71/534472571.db2.gz NEYXPRZSOZILQS-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)cc1 ZINC000107038710 534472747 /nfs/dbraw/zinc/47/27/47/534472747.db2.gz CKXCFKYUEHBJAG-UHFFFAOYSA-N 0 0 376.258 6.324 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394.248 6.463 40 0 GKABRN Fc1cccc(COc2ccc(C(=S)N3CCc4ccccc4C3)cc2)c1 ZINC000409204600 534520523 /nfs/dbraw/zinc/52/05/23/534520523.db2.gz AZEXENNEKPOLKE-UHFFFAOYSA-N 0 0 377.484 5.139 40 0 GKABRN Fc1cccc(COc2cccc(CNc3ccc(Cl)c(Cl)c3)c2)c1 ZINC000409197908 534520536 /nfs/dbraw/zinc/52/05/36/534520536.db2.gz RSFYYCIYHHZOEA-UHFFFAOYSA-N 0 0 376.258 6.324 40 0 GKABRN CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl ZINC000020142418 520916730 /nfs/dbraw/zinc/91/67/30/520916730.db2.gz VLRNGULJGHDDGR-UHFFFAOYSA-N 0 0 385.847 5.052 40 0 GKABRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 ZINC000408619407 534526427 /nfs/dbraw/zinc/52/64/27/534526427.db2.gz BWRDAJOWWZZTTF-UHFFFAOYSA-N 0 0 386.451 5.438 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2)c1 ZINC000408693775 534555465 /nfs/dbraw/zinc/55/54/65/534555465.db2.gz DJXKCAQGVPXCCP-UHFFFAOYSA-N 0 0 388.858 5.148 40 0 GKABRN Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)cc2C)c1 ZINC000408698783 534555747 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O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc2cccnc21 ZINC000408571372 534773353 /nfs/dbraw/zinc/77/33/53/534773353.db2.gz AMCBRCQTXBHJHA-WYMLVPIESA-N 0 0 399.475 5.021 40 0 GKABRN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)S1 ZINC000222629739 524680336 /nfs/dbraw/zinc/68/03/36/524680336.db2.gz ZXNGGBLFRAVWFA-SVIJTADQSA-N 0 0 395.915 5.584 40 0 GKABRN O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000409116524 534802886 /nfs/dbraw/zinc/80/28/86/534802886.db2.gz JFFYXSOMKVNRHF-BOPFTXTBSA-N 0 0 396.273 6.065 40 0 GKABRN O=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1CCCc1ccccc1 ZINC000409130112 534822361 /nfs/dbraw/zinc/82/23/61/534822361.db2.gz KJZWUJBCRDGGLS-SFQUDFHCSA-N 0 0 375.852 5.148 40 0 GKABRN Cc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c43)C2=O)c(C)c1 ZINC000000826819 524931438 /nfs/dbraw/zinc/93/14/38/524931438.db2.gz JWVCHUTYLYFLGA-UHFFFAOYSA-N 0 0 384.479 5.248 40 0 GKABRN Cc1ccc(N2CCOCC2)c(NCc2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000226240287 524968387 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MZJNNMKXJKRVNX-UHFFFAOYSA-N 0 0 385.467 5.160 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000022245826 570310206 /nfs/dbraw/zinc/31/02/06/570310206.db2.gz JOVJDUCJEXKHOR-UHFFFAOYSA-N 0 0 396.274 5.893 40 0 GKABRN Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000022245838 570310246 /nfs/dbraw/zinc/31/02/46/570310246.db2.gz BWSXEVPRIVRZMU-UHFFFAOYSA-N 0 0 396.274 5.893 40 0 GKABRN CCCCc1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 ZINC000022246036 570310592 /nfs/dbraw/zinc/31/05/92/570310592.db2.gz HTLNQFPHQOOFKR-UHFFFAOYSA-N 0 0 383.492 5.929 40 0 GKABRN CC[C@H](C)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258536 570311502 /nfs/dbraw/zinc/31/15/02/570311502.db2.gz OHXWHRHKGQRZEO-KRWDZBQOSA-N 0 0 393.914 6.685 40 0 GKABRN CCCCc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000022258514 570311562 /nfs/dbraw/zinc/31/15/62/570311562.db2.gz WNZDADMMFCGEFG-UHFFFAOYSA-N 0 0 393.914 6.514 40 0 GKABRN CC(C)(C)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258518 570311634 /nfs/dbraw/zinc/31/16/34/570311634.db2.gz VNVYNAVWYJHYSY-UHFFFAOYSA-N 0 0 393.914 6.469 40 0 GKABRN Nc1c(-c2cccs2)sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12 ZINC000257173331 570311696 /nfs/dbraw/zinc/31/16/96/570311696.db2.gz KCZFTBYBEBAFBX-UHFFFAOYSA-N 0 0 382.941 6.805 40 0 GKABRN Cc1nc(-c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)cs1 ZINC000108638623 570313439 /nfs/dbraw/zinc/31/34/39/570313439.db2.gz PXZQRJFMPCBANN-UHFFFAOYSA-N 0 0 384.504 5.889 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212169 570313693 /nfs/dbraw/zinc/31/36/93/570313693.db2.gz KAVSWBQIADTWBA-JOCHJYFZSA-N 0 0 388.467 5.738 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212229 570313696 /nfs/dbraw/zinc/31/36/96/570313696.db2.gz KPBZKQXEEIXZLE-JOCHJYFZSA-N 0 0 388.467 5.738 40 0 GKABRN CC(C)N(c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1)C(C)C ZINC000072213047 570314028 /nfs/dbraw/zinc/31/40/28/570314028.db2.gz QBBVDYRFCNHHHN-JOCHJYFZSA-N 0 0 395.547 5.569 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214108 570314464 /nfs/dbraw/zinc/31/44/64/570314464.db2.gz JDZSLQSSTLXKOO-JOCHJYFZSA-N 0 0 387.483 5.689 40 0 GKABRN O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217277 570316223 /nfs/dbraw/zinc/31/62/23/570316223.db2.gz HAWTWWGDBBXITJ-OAQYLSRUSA-N 0 0 380.557 5.874 40 0 GKABRN O=C(c1ccccc1)N1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217337 570316273 /nfs/dbraw/zinc/31/62/73/570316273.db2.gz LAZYLDZGSOEBOP-OAQYLSRUSA-N 0 0 380.557 5.874 40 0 GKABRN CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215836 570317037 /nfs/dbraw/zinc/31/70/37/570317037.db2.gz GGCQVERVGKQJBD-HXUWFJFHSA-N 0 0 395.503 5.228 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216733 570317773 /nfs/dbraw/zinc/31/77/73/570317773.db2.gz MKOGIKOWDVWWOE-QFIPXVFZSA-N 0 0 393.531 5.326 40 0 GKABRN O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216673 570317780 /nfs/dbraw/zinc/31/77/80/570317780.db2.gz JIPHIAAHRQBWEP-QFIPXVFZSA-N 0 0 393.531 5.326 40 0 GKABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(C)cc1 ZINC000022512684 570318926 /nfs/dbraw/zinc/31/89/26/570318926.db2.gz MRTHTSBCHNHKQD-HSZRJFAPSA-N 0 0 393.552 5.355 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000022512436 570319054 /nfs/dbraw/zinc/31/90/54/570319054.db2.gz YDQPDWJVLMTLFL-JOCHJYFZSA-N 0 0 375.468 5.892 40 0 GKABRN CCOc1ccc([C@H](C)NC(=O)c2cc3ccccc3cc2OC)cc1OCC ZINC000022514914 570319286 /nfs/dbraw/zinc/31/92/86/570319286.db2.gz RFAVAWIVVFKSEP-INIZCTEOSA-N 0 0 393.483 5.137 40 0 GKABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000022515223 570319325 /nfs/dbraw/zinc/31/93/25/570319325.db2.gz MJUIYHGWSNGFEB-OAHLLOKOSA-N 0 0 376.642 5.582 40 0 GKABRN CCC[C@@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3ccc(OC)cc3)ccc21 ZINC000585106144 570319537 /nfs/dbraw/zinc/31/95/37/570319537.db2.gz RMJXVSDCPBSDGC-GOSISDBHSA-N 0 0 393.527 5.193 40 0 GKABRN Cc1ccc(-c2ccc3c(c2)C2(CN3C(=O)CC(F)(F)F)CCOCC2)cc1 ZINC000585105918 570319704 /nfs/dbraw/zinc/31/97/04/570319704.db2.gz YYLGVQVKMDNAER-UHFFFAOYSA-N 0 0 389.417 5.009 40 0 GKABRN CCC[C@H](C)C(=O)N1CC2(CCOCC2)c2cc(-c3cccc(F)c3)ccc21 ZINC000585105711 570319750 /nfs/dbraw/zinc/31/97/50/570319750.db2.gz GHCKMLRCFPDKTR-KRWDZBQOSA-N 0 0 381.491 5.324 40 0 GKABRN COC(=O)c1cc2c(cc1OCc1ccccc1)[C@H]1O[C@@H](C)CC[C@@H]1C(C)(C)O2 ZINC000585263185 570320232 /nfs/dbraw/zinc/32/02/32/570320232.db2.gz HWVWMJCLKBEHHV-WQFQCULDSA-N 0 0 396.483 5.079 40 0 GKABRN COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000022531426 570320720 /nfs/dbraw/zinc/32/07/20/570320720.db2.gz NWDZKHJZBKBGOI-FDDCHVKYSA-N 0 0 391.536 5.390 40 0 GKABRN CCSc1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000022533172 570320855 /nfs/dbraw/zinc/32/08/55/570320855.db2.gz HQOSLPHIUNBWOZ-KNTRCKAVSA-N 0 0 393.939 6.631 40 0 GKABRN COc1ccc(S[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000022531420 570320927 /nfs/dbraw/zinc/32/09/27/570320927.db2.gz NWDZKHJZBKBGOI-JPYJTQIMSA-N 0 0 391.536 5.390 40 0 GKABRN Cc1ccccc1[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccccc1 ZINC000022534877 570321150 /nfs/dbraw/zinc/32/11/50/570321150.db2.gz KIIYLYULXNUUIX-SANMLTNESA-N 0 0 391.470 6.414 40 0 GKABRN Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc2)cc1 ZINC000022533812 570321272 /nfs/dbraw/zinc/32/12/72/570321272.db2.gz KACVYNUOPAJBAL-RXFWQSSRSA-N 0 0 395.502 5.821 40 0 GKABRN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 ZINC000022535331 570321582 /nfs/dbraw/zinc/32/15/82/570321582.db2.gz SUOMMTHBVUUYQE-UHFFFAOYSA-N 0 0 375.449 5.433 40 0 GKABRN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000044902775 570322539 /nfs/dbraw/zinc/32/25/39/570322539.db2.gz SIYNMSPHNVXCNB-SECBINFHSA-N 0 0 389.076 5.162 40 0 GKABRN COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408572463 570325339 /nfs/dbraw/zinc/32/53/39/570325339.db2.gz HFAXGEOITXBSPJ-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN COc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000408573154 570325556 /nfs/dbraw/zinc/32/55/56/570325556.db2.gz INYRIRCVBVEPAH-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN COc1cccc(CNC(=S)c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000408573218 570325570 /nfs/dbraw/zinc/32/55/70/570325570.db2.gz JDHPRZPJMAYOIF-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN O=c1sc(Nc2ccc(Br)cc2)nc2sc3c(c21)CCCC3 ZINC000026441942 570327082 /nfs/dbraw/zinc/32/70/82/570327082.db2.gz MJJRFGIUHLESIT-UHFFFAOYSA-N 0 0 393.331 5.103 40 0 GKABRN Fc1ccc(CNC(=S)c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000408574326 570328309 /nfs/dbraw/zinc/32/83/09/570328309.db2.gz LWCJSBTYJDRMKB-UHFFFAOYSA-N 0 0 385.891 5.523 40 0 GKABRN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](c2ccccc2)CC[C@H]3c2ccccc2)cc1 ZINC000003095287 570328474 /nfs/dbraw/zinc/32/84/74/570328474.db2.gz PYKQBQYLBQXXJS-NDBXHCKUSA-N 0 0 395.502 5.462 40 0 GKABRN c1cc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccc(-c2ccccc2)cc1 ZINC000003107507 570328748 /nfs/dbraw/zinc/32/87/48/570328748.db2.gz WBSMVAWETYTHTA-UHFFFAOYSA-N 0 0 388.535 8.416 40 0 GKABRN CC(C)c1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000408574571 570328695 /nfs/dbraw/zinc/32/86/95/570328695.db2.gz SBHMDQLMCMZSDZ-FYWRMAATSA-N 0 0 390.508 5.596 40 0 GKABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000408574619 570328805 /nfs/dbraw/zinc/32/88/05/570328805.db2.gz JEPPPYCLZRKOKI-DTQAZKPQSA-N 0 0 378.516 5.164 40 0 GKABRN CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000408574834 570330041 /nfs/dbraw/zinc/33/00/41/570330041.db2.gz LSDJGOUWENAHGF-AWEZNQCLSA-N 0 0 391.920 5.416 40 0 GKABRN S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408577603 570330245 /nfs/dbraw/zinc/33/02/45/570330245.db2.gz TYVDPBGRTOZWEN-UHFFFAOYSA-N 0 0 381.928 5.427 40 0 GKABRN COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1ccc(F)cc1 ZINC000408577604 570330250 /nfs/dbraw/zinc/33/02/50/570330250.db2.gz TZLAOHVRUYZVKW-UHFFFAOYSA-N 0 0 395.499 5.187 40 0 GKABRN CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000408576973 570330272 /nfs/dbraw/zinc/33/02/72/570330272.db2.gz ZFDXLJKSLZMYQP-JQIJEIRASA-N 0 0 388.467 5.727 40 0 GKABRN CC1CCN(C(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408577159 570330291 /nfs/dbraw/zinc/33/02/91/570330291.db2.gz RMKVNVQYCMGNRI-UHFFFAOYSA-N 0 0 394.367 5.980 40 0 GKABRN Fc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408575433 570331385 /nfs/dbraw/zinc/33/13/85/570331385.db2.gz OGTWJNBLBUAICG-UHFFFAOYSA-N 0 0 385.891 5.523 40 0 GKABRN COc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000408576137 570332076 /nfs/dbraw/zinc/33/20/76/570332076.db2.gz PUTWXCLAOHEHBO-UHFFFAOYSA-N 0 0 397.927 5.393 40 0 GKABRN O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F ZINC000408575948 570332125 /nfs/dbraw/zinc/33/21/25/570332125.db2.gz PFBQITHCHVYBDI-UHFFFAOYSA-N 0 0 394.245 5.884 40 0 GKABRN CSc1c2sc(=S)sc2c2sc(=S)sc2c1SC ZINC000003199676 570332255 /nfs/dbraw/zinc/33/22/55/570332255.db2.gz XGPKNHXHLOLULG-UHFFFAOYSA-N 0 0 382.694 7.142 40 0 GKABRN Fc1ccc(Nc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc32)cc1 ZINC000003220210 570332828 /nfs/dbraw/zinc/33/28/28/570332828.db2.gz DBKRFQBNOJHAAI-UHFFFAOYSA-N 0 0 397.478 6.908 40 0 GKABRN CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)cc1 ZINC000113932900 570334988 /nfs/dbraw/zinc/33/49/88/570334988.db2.gz LLHQIYZFKIYMPL-GOSISDBHSA-N 0 0 398.355 5.503 40 0 GKABRN Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)N1CCCC1 ZINC000408573763 570341207 /nfs/dbraw/zinc/34/12/07/570341207.db2.gz KJQWXDQTISULIL-UHFFFAOYSA-N 0 0 384.303 5.483 40 0 GKABRN CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc(C)cc1C ZINC000218830097 570341703 /nfs/dbraw/zinc/34/17/03/570341703.db2.gz XIUFEAAAWOGCQZ-LJQANCHMSA-N 0 0 390.321 5.021 40 0 GKABRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1Br ZINC000408574398 570341990 /nfs/dbraw/zinc/34/19/90/570341990.db2.gz QEMDTWYYGZDPJF-FMIVXFBMSA-N 0 0 382.257 5.669 40 0 GKABRN O=C(COc1ccccc1Cl)Nc1ccc(CSc2ccccc2)cc1 ZINC000218845967 570342143 /nfs/dbraw/zinc/34/21/43/570342143.db2.gz KOYIOKXGFQDCDU-UHFFFAOYSA-N 0 0 383.900 5.650 40 0 GKABRN O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccco1)c1ccccc1 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GKABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000222977101 570434548 /nfs/dbraw/zinc/43/45/48/570434548.db2.gz UKXALDQPBJAVQH-QHCPKHFHSA-N 0 0 375.468 5.892 40 0 GKABRN Cc1nc(Nc2ccc3ccccc3c2)cc(Nc2ccc3ccccc3c2)n1 ZINC000005337939 570434574 /nfs/dbraw/zinc/43/45/74/570434574.db2.gz NQSFDXYDSSFALQ-UHFFFAOYSA-N 0 0 376.463 6.579 40 0 GKABRN NC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CC/C3=C\c1ccccc1 ZINC000005338284 570434625 /nfs/dbraw/zinc/43/46/25/570434625.db2.gz BEKANKNPCKXHAP-DTQAZKPQSA-N 0 0 397.503 5.131 40 0 GKABRN O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2)N1c1ccc2ccccc2c1 ZINC000005338710 570434670 /nfs/dbraw/zinc/43/46/70/570434670.db2.gz XPYZLZXGBOEOAW-HSZRJFAPSA-N 0 0 384.866 6.264 40 0 GKABRN Clc1cccc(Cl)c1[C@H]1CSc2ccccc2N=C1c1ccccc1 ZINC000005369693 570435283 /nfs/dbraw/zinc/43/52/83/570435283.db2.gz WKIVNKVZPKISLV-OAHLLOKOSA-N 0 0 384.331 7.004 40 0 GKABRN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222996437 570436032 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CC[C@@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(C)c1 ZINC000223093210 570442887 /nfs/dbraw/zinc/44/28/87/570442887.db2.gz JCIGMDWKWPPPRV-UYAOXDASSA-N 0 0 391.964 5.795 40 0 GKABRN CC(C)C1=CC[C@H](OC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)CC1 ZINC000005498897 570443050 /nfs/dbraw/zinc/44/30/50/570443050.db2.gz SYJUSZJROGZBRT-NRFANRHFSA-N 0 0 394.540 5.787 40 0 GKABRN COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ccnc2)cc1 ZINC000005500960 570443140 /nfs/dbraw/zinc/44/31/40/570443140.db2.gz WBFVIIVIUZZHPZ-QFIPXVFZSA-N 0 0 392.543 5.830 40 0 GKABRN CCOc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C ZINC000223097812 570443170 /nfs/dbraw/zinc/44/31/70/570443170.db2.gz JFXMQYOJKAWGBA-UHFFFAOYSA-N 0 0 393.458 5.042 40 0 GKABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223097665 570443174 /nfs/dbraw/zinc/44/31/74/570443174.db2.gz ICTZVUUYDJMJQK-LEWJYISDSA-N 0 0 385.935 5.644 40 0 GKABRN CC[C@@H](Oc1cccc(C)c1C)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 ZINC000223099525 570443655 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CCc1ccc(O[C@H](CC)C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223127893 570444973 /nfs/dbraw/zinc/44/49/73/570444973.db2.gz OADBBQLDNODDSK-BJKOFHAPSA-N 0 0 379.544 5.553 40 0 GKABRN CC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc2c(c1)CCCC2 ZINC000223127482 570445096 /nfs/dbraw/zinc/44/50/96/570445096.db2.gz JCJRQCUGBVHQHR-AOMKIAJQSA-N 0 0 385.935 5.562 40 0 GKABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)c1ccc2c(c1)CCCC2 ZINC000223131833 570445382 /nfs/dbraw/zinc/44/53/82/570445382.db2.gz KFQLMQAMTMFKRT-NTKDMRAZSA-N 0 0 393.571 6.032 40 0 GKABRN C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000223129801 570445538 /nfs/dbraw/zinc/44/55/38/570445538.db2.gz PYDDTOTWORXXGY-GFCCVEGCSA-N 0 0 397.824 5.644 40 0 GKABRN COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2c1 ZINC000223137745 570446039 /nfs/dbraw/zinc/44/60/39/570446039.db2.gz BPDJQPWOAOJVAK-UHFFFAOYSA-N 0 0 394.780 5.476 40 0 GKABRN CC[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 ZINC000223141164 570446260 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Cc1ccccc1OCC(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000008571560 570771699 /nfs/dbraw/zinc/77/16/99/570771699.db2.gz ZAXYNFONDURMKK-UHFFFAOYSA-N 0 0 391.250 5.684 40 0 GKABRN COc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl ZINC000008904033 570773508 /nfs/dbraw/zinc/77/35/08/570773508.db2.gz VIPGHNZKBJETLL-UHFFFAOYSA-N 0 0 387.863 5.090 40 0 GKABRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1OC ZINC000008903812 570773542 /nfs/dbraw/zinc/77/35/42/570773542.db2.gz KUACXUWSPOVIFY-UHFFFAOYSA-N 0 0 388.423 5.073 40 0 GKABRN O=C(CCSCc1ccccc1)Nc1ccc(Br)c(Cl)c1 ZINC000013688106 570774623 /nfs/dbraw/zinc/77/46/23/570774623.db2.gz RPODXPVJJAIQAB-UHFFFAOYSA-N 0 0 384.726 5.365 40 0 GKABRN O=C(CCSCc1ccccc1)NCCSCc1c(F)cccc1Cl ZINC000013688050 570774657 /nfs/dbraw/zinc/77/46/57/570774657.db2.gz ZUGSXRHXGKAUBJ-UHFFFAOYSA-N 0 0 397.968 5.152 40 0 GKABRN C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1Cl ZINC000013708265 570776921 /nfs/dbraw/zinc/77/69/21/570776921.db2.gz LXTADKYNLMVISI-MRXNPFEDSA-N 0 0 399.943 5.310 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COC(=O)c1c(NC(=O)CCc2ccc(C(C)C)cc2)sc2c1CCCC2 ZINC000013608621 570860878 /nfs/dbraw/zinc/86/08/78/570860878.db2.gz ORTKWNXRDDHXAY-UHFFFAOYSA-N 0 0 385.529 5.108 40 0 GKABRN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000013628123 570861586 /nfs/dbraw/zinc/86/15/86/570861586.db2.gz QUPRJZJRQUIBCB-UHFFFAOYSA-N 0 0 386.495 5.797 40 0 GKABRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)cc1 ZINC000013628148 570861706 /nfs/dbraw/zinc/86/17/06/570861706.db2.gz NYKOAHWJRDQOGO-UHFFFAOYSA-N 0 0 386.495 5.418 40 0 GKABRN Cc1ccccc1[C@H]1c2ccccc2O[C@@]2(c3ccccc3)C(Cl)(Cl)[C@@]12C ZINC000013757037 570863873 /nfs/dbraw/zinc/86/38/73/570863873.db2.gz XOLUTXVNTZMZIT-RJGXRXQPSA-N 0 0 395.329 6.609 40 0 GKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(F)cc3)n2CC)cc1 ZINC000013871447 570864944 /nfs/dbraw/zinc/86/49/44/570864944.db2.gz XXWARMUKDZFZTI-OAHLLOKOSA-N 0 0 385.508 5.432 40 0 GKABRN CCc1ccc(O[C@H](C)c2nnc(SCc3ccccc3Cl)n2C)cc1 ZINC000013871197 570864971 /nfs/dbraw/zinc/86/49/71/570864971.db2.gz 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ZINC000014291385 570881500 /nfs/dbraw/zinc/88/15/00/570881500.db2.gz ACFJTDUCPXWULF-UHFFFAOYSA-N 0 0 398.256 5.031 40 0 GKABRN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccc(C)c(Cl)c3)c12 ZINC000036611668 570883052 /nfs/dbraw/zinc/88/30/52/570883052.db2.gz YZTAWEQZQOVWMZ-UHFFFAOYSA-N 0 0 390.874 5.251 40 0 GKABRN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000014397714 570883158 /nfs/dbraw/zinc/88/31/58/570883158.db2.gz NXQIYFNGJZMYNM-GFCCVEGCSA-N 0 0 394.284 5.292 40 0 GKABRN Cc1ccc(CSCCNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000014397495 570883244 /nfs/dbraw/zinc/88/32/44/570883244.db2.gz RJOJVMXLVAGLIP-KRWDZBQOSA-N 0 0 391.964 5.082 40 0 GKABRN COc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000014399410 570884422 /nfs/dbraw/zinc/88/44/22/570884422.db2.gz KHVFMYXEVBVDQW-UHFFFAOYSA-N 0 0 387.785 5.165 40 0 GKABRN Cc1ccc([C@H](NC(=O)CSCc2ccc(F)cc2)c2ccccc2)cc1 ZINC000015321876 570889773 /nfs/dbraw/zinc/88/97/73/570889773.db2.gz HGELEJCWJWFKBU-HSZRJFAPSA-N 0 0 379.500 5.273 40 0 GKABRN 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Cc1cccc([C@H](NC(=S)Nc2ccc(OC(C)C)cc2)c2ccccc2)c1 ZINC000225700779 222691394 /nfs/dbraw/zinc/69/13/94/222691394.db2.gz FCXNFHIZSCWTIP-HSZRJFAPSA-N 0 0 390.552 5.858 40 0 GKABRN CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000225695624 222691593 /nfs/dbraw/zinc/69/15/93/222691593.db2.gz FNVCSDQAKVRGQW-UHFFFAOYSA-N 0 0 375.553 5.814 40 0 GKABRN CCOc1ccc(C(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1Cl ZINC000225712692 222692578 /nfs/dbraw/zinc/69/25/78/222692578.db2.gz LEYVLANCXSYMJT-GOSISDBHSA-N 0 0 387.907 5.551 40 0 GKABRN COc1c(Br)cc(Cl)cc1C=Cc1cc(=O)c2ccccc2[nH]1 ZINC000015016977 210142654 /nfs/dbraw/zinc/14/26/54/210142654.db2.gz DZZOQFQRKPSBAW-VOTSOKGWSA-N 0 0 390.664 5.123 40 0 GKABRN Cc1ccc([C@@H](NC(=S)Nc2cccc(Br)c2)C(C)C)c(C)c1 ZINC000225763466 222695235 /nfs/dbraw/zinc/69/52/35/222695235.db2.gz VFQKSEDDCVWHNE-SFHVURJKSA-N 0 0 391.378 5.750 40 0 GKABRN COc1ccccc1NC(=O)NCCSCc1c(Cl)cccc1Cl ZINC000225766256 222695259 /nfs/dbraw/zinc/69/52/59/222695259.db2.gz ZRESIJNLFUGYES-UHFFFAOYSA-N 0 0 385.316 5.057 40 0 GKABRN O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)cc1Cl ZINC000225810717 222698912 /nfs/dbraw/zinc/69/89/12/222698912.db2.gz QUXDTGKLZIHTLW-UHFFFAOYSA-N 0 0 396.661 5.268 40 0 GKABRN COc1ccc(C2(NC(=S)Nc3cc(C)ccc3C)CCCC2)cc1OC ZINC000225842153 222700002 /nfs/dbraw/zinc/70/00/02/222700002.db2.gz JVBKOQJVJGDYBZ-UHFFFAOYSA-N 0 0 384.545 5.077 40 0 GKABRN CCOc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1 ZINC000225848611 222700529 /nfs/dbraw/zinc/70/05/29/222700529.db2.gz RZBXNIUOQAOEFJ-UHFFFAOYSA-N 0 0 382.573 5.626 40 0 GKABRN CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C ZINC000225863004 222700878 /nfs/dbraw/zinc/70/08/78/222700878.db2.gz KOXUJKQIUPLEIR-UHFFFAOYSA-N 0 0 386.923 5.673 40 0 GKABRN Fc1ccccc1NC(=S)NC1(CCc2ccccc2Cl)CCCC1 ZINC000225851246 222701456 /nfs/dbraw/zinc/70/14/56/222701456.db2.gz OKGXRDGZRGYWBS-UHFFFAOYSA-N 0 0 376.928 5.711 40 0 GKABRN CCCO[C@@]1(C(=O)Nc2ccc(OC(C)C)c3ncccc23)CCC[C@@H](C)C1 ZINC000225911954 222702542 /nfs/dbraw/zinc/70/25/42/222702542.db2.gz BFPHNWBGFFRQEL-HXOBKFHXSA-N 0 0 384.520 5.336 40 0 GKABRN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c2ncccc12 ZINC000225908753 222702694 /nfs/dbraw/zinc/70/26/94/222702694.db2.gz QIWWAOGCAQVJLA-HSZRJFAPSA-N 0 0 386.536 5.728 40 0 GKABRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 ZINC000225898287 222702831 /nfs/dbraw/zinc/70/28/31/222702831.db2.gz DSMDTKABJYDJIX-QHCPKHFHSA-N 0 0 386.536 5.584 40 0 GKABRN CC(C(=O)Nc1ccc(OC2CSC2)cc1)(c1ccccc1)c1ccccc1 ZINC000225934913 222703176 /nfs/dbraw/zinc/70/31/76/222703176.db2.gz WNQMSRVRCLCEJY-UHFFFAOYSA-N 0 0 389.520 5.126 40 0 GKABRN CCCC[C@@H](CC)COC(=O)c1cccc(C(=O)OC[C@@H](CC)CCCC)c1 ZINC000014859015 210129789 /nfs/dbraw/zinc/12/97/89/210129789.db2.gz WXZOXVVKILCOPG-BGYRXZFFSA-N 0 0 390.564 6.433 40 0 GKABRN Cc1cc(C)cc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 ZINC000014649525 210123164 /nfs/dbraw/zinc/12/31/64/210123164.db2.gz KQUONLUVLDFEON-UHFFFAOYSA-N 0 0 390.321 5.381 40 0 GKABRN C[C@@H](Oc1cccc2ccccc21)C(=O)NCCSCc1cccc(Cl)c1 ZINC000013709020 210081347 /nfs/dbraw/zinc/08/13/47/210081347.db2.gz HCSLTVWHGHFLCE-MRXNPFEDSA-N 0 0 399.943 5.310 40 0 GKABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(Br)cc1F ZINC000013709361 210081289 /nfs/dbraw/zinc/08/12/89/210081289.db2.gz NNEIFSPUUIWCPO-LBPRGKRZSA-N 0 0 388.236 5.147 40 0 GKABRN Cc1ccc(SCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000013716965 210082968 /nfs/dbraw/zinc/08/29/68/210082968.db2.gz GGJUCTOWDMXQMM-UHFFFAOYSA-N 0 0 375.537 5.426 40 0 GKABRN Cc1ccccc1CSCCNC(=O)c1ccccc1OCc1ccccc1 ZINC000013687160 210079920 /nfs/dbraw/zinc/07/99/20/210079920.db2.gz IIYVYBGXAHJTSG-UHFFFAOYSA-N 0 0 391.536 5.237 40 0 GKABRN C[C@H](CCc1ccccc1)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687842 210079027 /nfs/dbraw/zinc/07/90/27/210079027.db2.gz VFPKEEQUHSXQHV-GOSISDBHSA-N 0 0 393.914 5.670 40 0 GKABRN CCOC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1 ZINC000013674361 210077474 /nfs/dbraw/zinc/07/74/74/210077474.db2.gz WGRZTWQYPIJGBH-UHFFFAOYSA-N 0 0 391.492 5.408 40 0 GKABRN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Cl)c2)C1C(=O)OCC ZINC000013634890 210074510 /nfs/dbraw/zinc/07/45/10/210074510.db2.gz DVZXGBIEPYBENZ-FQEVSTJZSA-N 0 0 395.890 5.322 40 0 GKABRN Clc1ccc2[nH]c(CCSCCc3nc4cc(Cl)ccc4[nH]3)nc2c1 ZINC000012948691 210035871 /nfs/dbraw/zinc/03/58/71/210035871.db2.gz NFKKHKIKWARUMO-UHFFFAOYSA-N 0 0 391.327 5.264 40 0 GKABRN OCc1ccccc1CN(Cc1cnn(C2CCCCC2)c1)c1ccc(F)cc1 ZINC000257225379 222757422 /nfs/dbraw/zinc/75/74/22/222757422.db2.gz FFXXCIUZJGTYEC-UHFFFAOYSA-N 0 0 393.506 5.227 40 0 GKABRN CC(=O)N[C@]1(C)C[C@H](C(c2ccccc2)c2ccccc2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257295258 222771207 /nfs/dbraw/zinc/77/12/07/222771207.db2.gz QXPVXUIKAHCQJJ-HRACTXHCSA-N 0 0 391.555 5.307 40 0 GKABRN