smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094940 717140966 /nfs/dbraw/zinc/14/09/66/717140966.db2.gz IUMXSSOVGPXXJL-MHZLTWQESA-O 0 0 484.786 7.901 1 0 in-vitro JKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094966 717140987 /nfs/dbraw/zinc/14/09/87/717140987.db2.gz OLORTLVEDIELGC-SFHHZAISSA-O 0 0 476.722 7.005 1 0 in-vitro JKAFRN CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094963 717141050 /nfs/dbraw/zinc/14/10/50/717141050.db2.gz OLZWDVKTOGTVLC-FTJOPAKQSA-O 0 0 452.700 6.673 1 0 in-vitro JKAFRN CCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094960 717141126 /nfs/dbraw/zinc/14/11/26/717141126.db2.gz PVOQPLSKYNZHOT-AYZYJWAHSA-O 0 0 454.716 6.897 1 0 in-vitro JKAFRN CC(C)=CCC[C@@H](C(C)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000069482020 290687601 /nfs/dbraw/zinc/68/76/01/290687601.db2.gz BSMRGINHHCFBMH-CNDJDPFYSA-N 0 0 452.723 8.112 1 0 biogenic,in-vitro JKAFRN CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1 ZINC000069481956 290693229 /nfs/dbraw/zinc/69/32/29/290693229.db2.gz RUDVAOJNIYYYCQ-MVPDSLBJSA-N 0 0 472.710 5.855 1 0 biogenic,in-vitro JKAFRN CO[C@H]1C=C2[C@@H](CC[C@H](O)[C@]2(C)CO)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]3(C)[C@H]12 ZINC000049793204 290706938 /nfs/dbraw/zinc/70/69/38/290706938.db2.gz XIQPIAMRFKEZPL-IQOYCCEYSA-N 0 0 488.753 5.903 1 0 biogenic,in-vitro JKAFRN CC[C@@H](C)C(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]2[C@@H]4CC[C@H]3C1(C)C ZINC000523042391 291542061 /nfs/dbraw/zinc/54/20/61/291542061.db2.gz NAEKKJJJHWWAGQ-IHQVIPFTSA-N 0 0 498.836 9.456 1 0 biogenic JKAFRN C/C=C(\C)CCc1c(=O)c(CCC=C(C)C)c(O)c2c(O)cc(-c3ccc(O)cc3O)oc1-2 ZINC000095485988 291552075 /nfs/dbraw/zinc/55/20/75/291552075.db2.gz KVXZTNATWLMBKO-FZSIALSZSA-N 0 0 450.531 6.080 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@H]1CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C ZINC000033830941 291558793 /nfs/dbraw/zinc/55/87/93/291558793.db2.gz NXKDUDYUASKXAY-BATOFVLWSA-N 0 0 470.782 8.820 1 0 biogenic,in-vitro JKAFRN CC(C)=C/C=C/C(C)=C/[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000069481953 291561554 /nfs/dbraw/zinc/56/15/54/291561554.db2.gz TUWRBFMVJOJFCL-LLFMWVJTSA-N 0 0 454.695 7.018 1 0 biogenic,in-vitro JKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)c4c(c(CC=C(C)C)c3O2)OC(C)(C)C=C4)c(O)cc1O ZINC000095919146 291564677 /nfs/dbraw/zinc/56/46/77/291564677.db2.gz OIPOSHZATNADRS-RUZDIDTESA-N 0 0 490.596 6.712 1 0 biogenic,in-vitro JKAFRN CC(C)=C[C@H]1c2c(c3ccccc3n(C)c2=O)O[C@H]2[C@H]1c1c(c3ccccc3n(C)c1=O)OC2(C)C ZINC000095913475 291564687 /nfs/dbraw/zinc/56/46/87/291564687.db2.gz CXLHMCJQURZLAW-ZHCYEPILSA-N 0 0 482.580 5.156 1 0 biogenic,in-vitro JKAFRN CC1(C)CC2=C3C=C[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@H](O)CC[C@]45C)[C@]3(C)CC[C@@]23C[C@@H]1OC3=O ZINC000095914199 291566602 /nfs/dbraw/zinc/56/66/02/291566602.db2.gz GULGGXKWQQNQHZ-PFSAQRTNSA-N 0 0 452.679 6.604 1 0 biogenic,in-vitro JKAFRN CC1(C)CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6[C@](C)(CO)[C@@H](O)CC[C@]56C)[C@]4(C)C[C@H]2O)[C@@H]3C1 ZINC000070451097 291569213 /nfs/dbraw/zinc/56/92/13/291569213.db2.gz IUBQSOTVBGNWDI-FYZNACKDSA-N 0 0 472.710 5.101 1 0 biogenic,in-vitro JKAFRN CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 ZINC000084154083 291569214 /nfs/dbraw/zinc/56/92/14/291569214.db2.gz YHGVYECWZWIVJC-MSRQISSHSA-N 0 0 458.727 6.112 1 0 biogenic,in-vitro JKAFRN CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4C(=CC[C@@H]5[C@]4(C)CC[C@@H](O)[C@]5(C)CO)C[C@]3(C)CC[C@H]12 ZINC000095914316 291570247 /nfs/dbraw/zinc/57/02/47/291570247.db2.gz BRPWCDQVFKLXQH-MRORRVNYSA-N 0 0 458.727 6.112 1 0 biogenic,in-vitro JKAFRN CC1(C)[C@@H]2CC=C3C[C@]4(C)CC[C@H]5[C@](C)(CC[C@H](O)[C@]5(C)CO)[C@H]4CC[C@@H]3[C@@]2(C)CC[C@@H]1O ZINC000095910696 291571643 /nfs/dbraw/zinc/57/16/43/291571643.db2.gz VYUNCIDAMBNEFU-YDNVRARRSA-N 0 0 458.727 6.112 1 0 biogenic,in-vitro JKAFRN CCCCC[C@H]1Cc2cc(O)ccc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@@H](c1ccc(O)c(OC)c1)O3 ZINC000085568230 291581353 /nfs/dbraw/zinc/58/13/53/291581353.db2.gz ASGJBIKNYBMEHK-ZYABWWMVSA-N 0 0 490.596 6.039 1 0 biogenic,in-vitro JKAFRN CC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CC[NH3+])[C@H](CCc1ccccc1)[C@H](C(=O)[O-])[C@H](C)O ZINC000085505729 291583495 /nfs/dbraw/zinc/58/34/95/291583495.db2.gz VMEYRSRQTJKYAI-DNVXIBMNSA-N 0 0 499.780 7.395 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@@H]1C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2[C@H]1C ZINC000095914798 291585324 /nfs/dbraw/zinc/58/53/24/291585324.db2.gz YQPSLCRGQUNTRC-VNWJVQASSA-N 0 0 484.721 6.357 1 0 biogenic,in-vitro JKAFRN CO[C@@H]1CC(=O)[C@H]2[C@@H]3[C@@H]4C[C@@](C)([C@@]3(C)[C@]3(CC[C@@]5(CC[C@@H](Cc6ccccc6)C5)C3)CC4)[C@@]12O ZINC000103575316 291586850 /nfs/dbraw/zinc/58/68/50/291586850.db2.gz RWZOYTWBRYMXJK-WNUGPZDYSA-N 0 0 462.674 6.460 1 0 biogenic,in-vitro JKAFRN COc1cc(O)cc2c1-c1ccc(Oc3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)cc1CC2 ZINC000095909830 291589718 /nfs/dbraw/zinc/58/97/18/291589718.db2.gz QYMFCLDONOXYGG-UHFFFAOYSA-N 0 0 482.532 6.144 1 0 biogenic,in-vitro JKAFRN COc1cccc(CCc2c(Cc3ccc(O)cc3)c(O)cc(OC)c2Cc2ccc(O)cc2)c1 ZINC000014697267 291592317 /nfs/dbraw/zinc/59/23/17/291592317.db2.gz LUXDHEOYGQPBDS-UHFFFAOYSA-N 0 0 470.565 5.787 1 0 biogenic,in-vitro JKAFRN C[C@H]1[C@H](C)[C@H](O)C[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]12 ZINC000095915007 291594847 /nfs/dbraw/zinc/59/48/47/291594847.db2.gz BSXLRHHJBCBOQE-STRMDIGMSA-N 0 0 458.727 5.966 1 0 biogenic,in-vitro JKAFRN C[C@]1(CO)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000085541890 291599175 /nfs/dbraw/zinc/59/91/75/291599175.db2.gz MCXBUCDXRNABAN-HTBPSTMTSA-N 0 0 472.710 5.293 1 0 biogenic,in-vitro JKAFRN O=C([O-])C=C[C@H](CC[C@H](C=Cc1ccccc1)CCCCCCCCCCO)NC1=[NH+]CC=C1 ZINC000085510360 291602986 /nfs/dbraw/zinc/60/29/86/291602986.db2.gz BIXLHZQSYFYDCA-LTXYREHMSA-N 0 0 465.658 6.835 1 0 biogenic,in-vitro JKAFRN CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103550672 560051723 /nfs/dbraw/zinc/05/17/23/560051723.db2.gz JZIBSDBSLIKLEM-SPXYNGGESA-N 0 0 482.661 5.086 1 0 biogenic,in-vitro JKAFRN CO[C@H]1CC(=O)[C@H]2[C@@H]3[C@@H]4C[C@@](C)([C@@]3(C)[C@]3(CC[C@H](Cc5cccc(NC[C@H](C)O)c5)C3)CC4)[C@@]12O ZINC000103575242 560051895 /nfs/dbraw/zinc/05/18/95/560051895.db2.gz CNBKQMSUFXYEIC-APONGGHDSA-N 0 0 481.677 5.082 1 0 biogenic,in-vitro JKAFRN CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=C(CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC4)C1(C)C ZINC000095913567 560056623 /nfs/dbraw/zinc/05/66/23/560056623.db2.gz JVQAAEYVCFXXNB-BXQFIKCXSA-N 0 0 456.755 7.938 1 0 biogenic,in-vitro JKAFRN CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)CC3=CC[C@@H]12 ZINC000095910697 560058520 /nfs/dbraw/zinc/05/85/20/560058520.db2.gz VYUNCIDAMBNEFU-VKASZUHRSA-N 0 0 458.727 6.112 1 0 biogenic,in-vitro JKAFRN CC1(C)CC[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095486075 560061713 /nfs/dbraw/zinc/06/17/13/560061713.db2.gz YHGVYECWZWIVJC-AGHRBTEWSA-N 0 0 458.727 6.112 1 0 biogenic,in-vitro JKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)C[C@@H](O)[C@@]4(C)CC[C@](C)(CO)C[C@H]4[C@]3(C)CC[C@]12C ZINC000085642863 560067478 /nfs/dbraw/zinc/06/74/78/560067478.db2.gz PXERLCBZUVMKBK-CKZGLXCSSA-N 0 0 458.727 6.400 1 0 biogenic,in-vitro JKAFRN COc1cc(CCC(O)=CC(=O)C[C@H](CCCCc2cccc(O)c2)c2cc[nH]c2)ccc1O ZINC000085627113 560068943 /nfs/dbraw/zinc/06/89/43/560068943.db2.gz SACQGBRELMPDOH-QFIPXVFZSA-N 0 0 462.566 5.268 1 0 biogenic,in-vitro JKAFRN C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H](Cc4cc(O)cc(Cc5ccccc5)c4)CC4(CCCC4)C[C@@H]32)C1 ZINC000085543571 560071018 /nfs/dbraw/zinc/07/10/18/560071018.db2.gz VGJUNXMWXWUPCJ-VBGIRAPXSA-N 0 0 468.725 8.885 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CCC(C)C)[C@@]3(CCCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542520 560071197 /nfs/dbraw/zinc/07/11/97/560071197.db2.gz RLWBFUPHEWNDAJ-NXRYLIIBSA-N 0 0 472.666 5.758 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]43C)[C@H]2C1 ZINC000085541330 560071551 /nfs/dbraw/zinc/07/15/51/560071551.db2.gz CAWKLFCTKUTRCK-NFTGUYIBSA-N 0 0 486.737 6.294 1 0 biogenic,in-vitro JKAFRN CCCCC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CC[NH3+])[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505858 560074617 /nfs/dbraw/zinc/07/46/17/560074617.db2.gz SEHLZNQIZWCWIE-XVWYCKRYSA-N 0 0 497.808 8.959 1 0 biogenic,in-vitro JKAFRN [NH3+]CCC1=C[C@@H](CCCCCC[C@H](C/C=C/[C@H](CO)CC(=O)[O-])Cc2ccc(O)cc2)CC1 ZINC000085489171 560075615 /nfs/dbraw/zinc/07/56/15/560075615.db2.gz FFLMBKKCQWGWOS-XORLVHDESA-N 0 0 457.655 5.606 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]1CC4 ZINC000059587740 560082793 /nfs/dbraw/zinc/08/27/93/560082793.db2.gz WXVFRJLEEWPFQZ-MXJYONDUSA-N 0 0 486.737 6.437 1 0 biogenic,in-vitro JKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1O[C@H](C(C)(C)O)[C@H]2O ZINC000059586817 560082951 /nfs/dbraw/zinc/08/29/51/560082951.db2.gz GWBZVNGRQCWHRS-ZEZDXWPOSA-N 0 0 492.612 5.681 1 0 biogenic,in-vitro JKAFRN COc1cc2cc([C@]3(C)CC[C@@](C)(c4cc5cc(OC)c(OC)cc5o4)O3)oc2cc1OC ZINC000038240373 560086121 /nfs/dbraw/zinc/08/61/21/560086121.db2.gz HCGBJFMVVXYYQU-UIOOFZCWSA-N 0 0 452.503 6.154 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@H](O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000003978199 560192158 /nfs/dbraw/zinc/19/21/58/560192158.db2.gz YIEIZLQDUWWSED-CNQBPZNBSA-N 0 0 468.590 5.141 1 0 in-vitro JKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000003978943 560192870 /nfs/dbraw/zinc/19/28/70/560192870.db2.gz FJIIOEQLAAKWEL-WNGPKWDHSA-N 0 0 470.606 5.365 3 0 in-vitro JKAFRN C[C@@H]1CC[C@@]23CC[C@]4(C)[C@@](CC[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@H]6CC[C@]54C)(OC2=O)[C@@H]3[C@H]1C ZINC000004175658 560197400 /nfs/dbraw/zinc/19/74/00/560197400.db2.gz JYBZYXNEAHTBLV-HGZCSTHFSA-N 0 0 454.695 6.972 1 0 in-vitro JKAFRN COC(=O)CCc1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)c2ccccc2)c1 ZINC000012502251 560212517 /nfs/dbraw/zinc/21/25/17/560212517.db2.gz DOZHIHFHDOVTNY-UHFFFAOYSA-N 0 0 492.619 6.372 1 0 in-vitro JKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@H](c1cc(O)c3c(c1)C=CC(C)(C)O3)O2 ZINC000013358293 560214849 /nfs/dbraw/zinc/21/48/49/560214849.db2.gz XESZEJDJGPNKIH-XMMPIXPASA-N 0 0 490.596 6.712 1 0 biogenic,in-vitro JKAFRN Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)C4)cc1 ZINC000014420816 560221280 /nfs/dbraw/zinc/22/12/80/560221280.db2.gz JJCVXDDMIRXVJA-YNOBPPCASA-N 0 0 454.478 5.168 1 0 in-vitro JKAFRN O=c1cccc2oc(CCCCCCCCCCCCc3ccc4c(c3)OCO4)cc(O)c1-2 ZINC000014649605 560223876 /nfs/dbraw/zinc/22/38/76/560223876.db2.gz WXQJLCFYLWJSBU-UHFFFAOYSA-N 0 0 450.575 6.914 1 0 biogenic,in-vitro JKAFRN CC/C=C(\C)[C@H](OC)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656170 560224017 /nfs/dbraw/zinc/22/40/17/560224017.db2.gz DEWASTJBTDQVAF-SNCHNGKMSA-N 0 0 459.627 5.740 1 0 in-vitro JKAFRN COc1cc([C@H]2OC[C@@H]3[C@@H]2CO[C@@H]3c2ccc(OCC=C(C)C)c(OC)c2)ccc1OCC=C(C)C ZINC000014657785 560224157 /nfs/dbraw/zinc/22/41/57/560224157.db2.gz DCSGDXQKLWVLEX-XSHKJCDBSA-N 0 0 494.628 6.469 1 0 biogenic,in-vitro JKAFRN C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@@H]2[C@@H](CC1)C2(C)C ZINC000015210172 571736009 /nfs/dbraw/zinc/73/60/09/571736009.db2.gz JIUCFHYHXVNZMU-SJCNGOLESA-N 0 0 454.607 6.241 1 0 endogenous,in-man JKAFRN O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000598804 562918439 /nfs/dbraw/zinc/91/84/39/562918439.db2.gz DFOIEDQSOJASSS-PMACEKPBSA-N 0 0 475.923 5.928 1 0 JKAFRN O=C(Nc1ccc(NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1csnn1 ZINC000000603118 562918560 /nfs/dbraw/zinc/91/85/60/562918560.db2.gz FVEJUWCKIKESSP-UHFFFAOYSA-N 0 0 491.442 5.637 1 0 JKAFRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000000833763 562919105 /nfs/dbraw/zinc/91/91/05/562919105.db2.gz YMJWVPKRILZJBH-FQEVSTJZSA-N 0 0 470.413 5.455 1 0 JKAFRN CC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000000837085 562919186 /nfs/dbraw/zinc/91/91/86/562919186.db2.gz MNHHQPNNELRPSH-UHFFFAOYSA-N 0 0 459.430 5.821 1 0 JKAFRN Cc1ccccc1OCc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 ZINC000000875877 562919445 /nfs/dbraw/zinc/91/94/45/562919445.db2.gz RGPVISBQWQXVRT-UHFFFAOYSA-N 0 0 496.013 6.532 3 0 JKAFRN COc1ccc(NC(=O)Cc2cccc(-n3c4cccc(Cl)c4c4noc(C)c4c3=O)c2)cc1 ZINC000001483394 562920061 /nfs/dbraw/zinc/92/00/61/562920061.db2.gz LJQBNUBWKBTALY-UHFFFAOYSA-N 0 0 473.916 5.284 1 0 JKAFRN CS(=O)(=O)Nc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 ZINC000001492044 562920432 /nfs/dbraw/zinc/92/04/32/562920432.db2.gz WKJIKPBZHFHDBH-UHFFFAOYSA-N 0 0 457.861 5.528 1 0 JKAFRN C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1 ZINC000001493991 562920442 /nfs/dbraw/zinc/92/04/42/562920442.db2.gz INIUOCWMNJACSH-QFIPXVFZSA-N 0 0 479.580 5.709 1 0 JKAFRN CCCCn1nc(CCc2ccccc2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001533788 562920454 /nfs/dbraw/zinc/92/04/54/562920454.db2.gz MZRMZTSNVBTFSG-UHFFFAOYSA-N 0 0 463.589 5.301 1 0 JKAFRN CCCCn1nc(C(F)(F)CCC)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001533787 562920463 /nfs/dbraw/zinc/92/04/63/562920463.db2.gz BBXQDMIYTZABMS-UHFFFAOYSA-N 0 0 451.525 5.408 1 0 JKAFRN Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 ZINC000001532981 562920467 /nfs/dbraw/zinc/92/04/67/562920467.db2.gz UNRYNEUZUOGHCV-UHFFFAOYSA-N 0 0 475.061 6.625 1 0 JKAFRN COc1ccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000001538902 562920728 /nfs/dbraw/zinc/92/07/28/562920728.db2.gz DDPVLRKXRZEBCR-AFJIDDCJSA-N 0 0 485.584 5.282 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl ZINC000001541682 562920900 /nfs/dbraw/zinc/92/09/00/562920900.db2.gz VSCHGUOISATNSX-UHFFFAOYSA-N 0 0 493.415 7.058 1 0 JKAFRN O=C(Cc1ccc(OCc2ccccc2)cc1)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000001541430 562920911 /nfs/dbraw/zinc/92/09/11/562920911.db2.gz YIVXRIKQEZBYQB-UHFFFAOYSA-N 0 0 450.490 5.165 1 0 JKAFRN CC(C)N1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1=O ZINC000001544272 562920955 /nfs/dbraw/zinc/92/09/55/562920955.db2.gz VONNJQHQUMKPLP-HSZRJFAPSA-N 0 0 466.368 5.342 1 0 JKAFRN O=C([O-])COc1cccc2c1CCC[C@H]2[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000001544785 562920973 /nfs/dbraw/zinc/92/09/73/562920973.db2.gz RIEYXRPBTRTFGV-CLJLJLNGSA-N 0 0 494.591 6.687 1 0 in-vivo JKAFRN CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1 ZINC000001546480 562921002 /nfs/dbraw/zinc/92/10/02/562921002.db2.gz MGBOWAPXPQLTFT-BQYQJAHWSA-N 0 0 466.629 6.592 1 0 JKAFRN Cc1ccccc1-c1ccncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001549225 562921095 /nfs/dbraw/zinc/92/10/95/562921095.db2.gz HPYVATHTKDMNGH-UHFFFAOYSA-N 0 0 480.452 7.035 1 0 JKAFRN C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000001550776 562921173 /nfs/dbraw/zinc/92/11/73/562921173.db2.gz UXFBKFVCMJNQEJ-AFMDSPMNSA-N 0 0 481.552 5.629 1 0 JKAFRN CC(=O)N1c2ccc(OC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000001554171 562921362 /nfs/dbraw/zinc/92/13/62/562921362.db2.gz OVWRFBGLNCIAAX-XIFFEERXSA-N 0 0 489.615 7.414 1 0 JKAFRN Fc1ccc(-c2nn3c(cc(Cl)cc3N3CCCCC3)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000001553752 562921379 /nfs/dbraw/zinc/92/13/79/562921379.db2.gz VJVRRJAEGPKNNL-UHFFFAOYSA-N 0 0 491.014 6.596 1 0 JKAFRN CCCCc1nn(CC(F)(F)F)c(COC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001554663 562921381 /nfs/dbraw/zinc/92/13/81/562921381.db2.gz QYTUJGZIBZLSQS-UHFFFAOYSA-N 0 0 484.526 5.372 1 0 JKAFRN Brc1ccc(-c2nnc(-c3nn(-c4ccccc4)c4nc5ccccc5nc34)o2)cc1 ZINC000001622955 562921650 /nfs/dbraw/zinc/92/16/50/562921650.db2.gz LJCRVNKEMWFWLK-UHFFFAOYSA-N 0 0 469.302 5.448 1 0 JKAFRN CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000001622507 562921687 /nfs/dbraw/zinc/92/16/87/562921687.db2.gz BLBHGUJDTWXHFE-UHFFFAOYSA-N 0 0 495.399 6.596 1 0 JKAFRN CC(C)(C)[C@]1(c2ccc([C@@]3(c4ccccc4)Oc4ccccc4S3)[nH]2)Oc2ccccc2S1 ZINC000001618934 562921694 /nfs/dbraw/zinc/92/16/94/562921694.db2.gz BDULTCWUYJYIMO-WUFINQPMSA-N 0 0 471.647 7.784 1 0 JKAFRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4[nH]c5cc(Cl)ccc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]34)C2=O)cc1 ZINC000001635401 562921946 /nfs/dbraw/zinc/92/19/46/562921946.db2.gz HGPVCPTYSNSUHM-LWSZXLBHSA-N 0 0 491.031 6.663 1 0 JKAFRN CCOC(=O)c1c(-c2ccccc2)oc(=O)c(Cc2cccc3cccnc32)c1-c1ccccc1 ZINC000001639085 562922099 /nfs/dbraw/zinc/92/20/99/562922099.db2.gz XUPLFNBASVDMAJ-UHFFFAOYSA-N 0 0 461.517 6.290 1 0 JKAFRN O=C1CS[C@H](c2ccccc2)N1c1ccc(-n2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000001645225 562922180 /nfs/dbraw/zinc/92/21/80/562922180.db2.gz RLQWXZKWKSUFNM-GDLZYMKVSA-N 0 0 475.573 5.831 1 0 JKAFRN CC(C)(C)c1cc([C@@H]2CO[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CO2)cc(C(C)(C)C)c1O ZINC000001647613 562922295 /nfs/dbraw/zinc/92/22/95/562922295.db2.gz QCKVIDRGBCCTOT-UIOOFZCWSA-N 0 0 496.732 8.117 1 0 JKAFRN CCOP(=O)(OCC)[C@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(F)cc1 ZINC000001646015 562922320 /nfs/dbraw/zinc/92/23/20/562922320.db2.gz XWBZSOMNSYHMQR-QGZVFWFLSA-N 0 0 466.343 5.966 1 0 JKAFRN CC(=O)Nc1ccccc1S(=O)(=O)c1c(C)onc1-c1c(C)c(Cl)c(C)c(Cl)c1C ZINC000001649700 562922383 /nfs/dbraw/zinc/92/23/83/562922383.db2.gz UXZCWSVCQYLGRO-UHFFFAOYSA-N 0 0 467.374 5.673 1 0 JKAFRN CC1(C)CC(=O)C2(C[C@H](CSc3ccccc3)[C@@H](CS(=O)(=O)c3ccccc3)C2)C(=O)C1 ZINC000001650855 562922388 /nfs/dbraw/zinc/92/23/88/562922388.db2.gz XUIZYCMVGWPLCI-WOJBJXKFSA-N 0 0 470.656 5.223 1 0 JKAFRN O=c1c(Cc2ccc(Cl)cc2)nnc2sc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nn21 ZINC000001658992 562922882 /nfs/dbraw/zinc/92/28/82/562922882.db2.gz HWWJWKSSDWFSDW-UHFFFAOYSA-N 0 0 489.771 6.024 1 0 JKAFRN O=c1c(Cc2ccc(Cl)cc2)nnc2sc(-c3ccc(-c4ccc(F)c(Cl)c4)o3)nn21 ZINC000001658991 562922892 /nfs/dbraw/zinc/92/28/92/562922892.db2.gz HJOSOBRZSWCEAK-UHFFFAOYSA-N 0 0 473.316 5.510 1 0 JKAFRN CCN(CC)C(=S)S[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000001663333 562923107 /nfs/dbraw/zinc/92/31/07/562923107.db2.gz SHQMTKDJRXHZIW-KRWDZBQOSA-N 0 0 461.012 5.430 1 0 JKAFRN Nc1c(C(=O)c2ccc(Cl)c(Cl)c2)[nH]c(NCc2ccccc2)c1C(=S)Nc1ccccc1 ZINC000001663702 562923215 /nfs/dbraw/zinc/92/32/15/562923215.db2.gz NNXWGIRCVKYXRV-UHFFFAOYSA-N 0 0 495.435 6.534 1 0 JKAFRN CC1=C2[C@H](c3ccccc3)[C@H]3C=C[C@@]2(c2ccccc23)N(C(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000001851230 562923484 /nfs/dbraw/zinc/92/34/84/562923484.db2.gz OCJTUCBXBWMLNU-NLTSOJRXSA-N 0 0 493.606 6.850 1 0 JKAFRN O=[N+]([O-])C(C(=Nc1cccc2ccccc21)Sc1ccccc1)=C(Cl)C(Cl)Cl ZINC000001860578 562923652 /nfs/dbraw/zinc/92/36/52/562923652.db2.gz PFSXYRGYGJPBMO-CZIZESTLSA-N 0 0 451.762 7.375 1 0 JKAFRN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)S[C@H]2c2ccccc2)cc1 ZINC000001860984 562923668 /nfs/dbraw/zinc/92/36/68/562923668.db2.gz IZCHWBDIAIYRLL-RMNLPTLGSA-N 0 0 492.600 7.257 1 0 JKAFRN COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000001860871 562923673 /nfs/dbraw/zinc/92/36/73/562923673.db2.gz GVNDPDISJHLSQV-WNRWPCNTSA-N 0 0 467.974 6.186 1 0 JKAFRN CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)S[C@@H]2c2ccccc2)cc1 ZINC000001860981 562923700 /nfs/dbraw/zinc/92/37/00/562923700.db2.gz IZCHWBDIAIYRLL-JUNLCRQGSA-N 0 0 492.600 7.257 1 0 JKAFRN O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000001861174 562923730 /nfs/dbraw/zinc/92/37/30/562923730.db2.gz NUHCEHCEZPDVGK-QFFYTCKUSA-N 0 0 481.573 5.976 1 0 JKAFRN O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000001862832 562923818 /nfs/dbraw/zinc/92/38/18/562923818.db2.gz YNXAXPMHYONYKL-HMMYKYKNSA-N 0 0 460.577 5.656 1 0 JKAFRN COc1ccc(N2C(=O)/C(=C\c3ccccc3)S[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001862993 562923827 /nfs/dbraw/zinc/92/38/27/562923827.db2.gz WJTUTCLYEBNWMK-QTQKINJDSA-N 0 0 463.555 5.541 1 0 JKAFRN CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(C=O)c1 ZINC000001863574 562923882 /nfs/dbraw/zinc/92/38/82/562923882.db2.gz FXJDSIHWUBOKCD-UHFFFAOYSA-N 0 0 463.357 6.217 1 0 JKAFRN CCCCc1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1 ZINC000001896418 562924095 /nfs/dbraw/zinc/92/40/95/562924095.db2.gz FJHWGNRUDRTPLY-UHFFFAOYSA-N 0 0 452.587 6.112 1 0 JKAFRN COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000002009098 562924541 /nfs/dbraw/zinc/92/45/41/562924541.db2.gz JKHYOWBRQRJSTQ-NRFANRHFSA-N 0 0 468.475 5.756 1 0 JKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(OC(C)C)ccc2n1 ZINC000002010356 562924555 /nfs/dbraw/zinc/92/45/55/562924555.db2.gz WKPMEBRCZJUODK-UHFFFAOYSA-N 0 0 465.557 6.011 1 0 JKAFRN CCc1cccc(-n2c(C[C@H](C)c3c[nH]c4ccc(Br)cc43)nc3ccccc3c2=O)c1 ZINC000002013706 562924601 /nfs/dbraw/zinc/92/46/01/562924601.db2.gz CFYXMCWBLUMMPL-KRWDZBQOSA-N 0 0 486.413 6.538 1 0 JKAFRN Cc1c(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000002052982 562924711 /nfs/dbraw/zinc/92/47/11/562924711.db2.gz BGFYXAYEYXCXDM-UHFFFAOYSA-N 0 0 463.474 5.779 1 0 JKAFRN C[C@H]1C[C@H](C)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)C1 ZINC000003199574 562926738 /nfs/dbraw/zinc/92/67/38/562926738.db2.gz FVPJUFUOFHLREV-KBPBESRZSA-N 0 0 474.932 5.278 3 0 JKAFRN 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/nfs/dbraw/zinc/94/88/25/562948825.db2.gz IYAAQUIXTCCGES-HNNXBMFYSA-N 0 0 485.211 5.840 3 0 JKAFRN CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000008674202 562950474 /nfs/dbraw/zinc/95/04/74/562950474.db2.gz YVYUSCHLRYEEBG-UHFFFAOYSA-N 0 0 481.346 5.125 3 0 JKAFRN Cc1cccc(C(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)cc3)Cc3ccccc3)CC2)c1 ZINC000008680190 562950775 /nfs/dbraw/zinc/95/07/75/562950775.db2.gz XULGGNHFYJNCBE-HHHXNRCGSA-N 0 0 491.031 5.151 3 0 JKAFRN Cc1cccc(COC[C@@H](Cc2ccccc2)N2CCN(C(=O)c3cccc(Cl)c3)CCC2=O)c1 ZINC000008680199 562950842 /nfs/dbraw/zinc/95/08/42/562950842.db2.gz OLTSDRUPPAPMPL-HHHXNRCGSA-N 0 0 491.031 5.151 3 0 JKAFRN COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)n2)cc1 ZINC000008680522 562950934 /nfs/dbraw/zinc/95/09/34/562950934.db2.gz CVJRQMTXBLZOIU-UHFFFAOYSA-N 0 0 456.527 5.045 3 0 JKAFRN COc1c(-c2coc3cc4c(cc3c2=O)C[C@@H](OC(C)=O)C(C)(C)O4)ccc2c1C=CC(C)(C)O2 ZINC000008681586 562951247 /nfs/dbraw/zinc/95/12/47/562951247.db2.gz QUQMZWZRFQKNFP-XMMPIXPASA-N 0 0 476.525 5.298 3 0 in-vitro JKAFRN COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)N[C@H](C)C2CCCCC2)c1 ZINC000008681965 562951392 /nfs/dbraw/zinc/95/13/92/562951392.db2.gz ITHNEVCQZIFIQY-VFRFXQOFSA-N 0 0 453.535 5.084 3 0 aggregator JKAFRN CC(=O)O/C(=C1/C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O)C(F)(F)F ZINC000008830766 562955150 /nfs/dbraw/zinc/95/51/50/562955150.db2.gz NBJBKSDSMJNQOA-WKSSNSDFSA-N 0 0 468.512 5.439 1 0 JKAFRN COC(=O)[C@@]1(Cc2ccccc2-c2ccco2)C=C[C@H](C)[C@@H](c2ccccc2)N1C(=O)C(F)(F)F ZINC000008860410 562955178 /nfs/dbraw/zinc/95/51/78/562955178.db2.gz IDUGQJRJVUWLAW-WMDMVVLCSA-N 0 0 483.486 5.739 1 0 JKAFRN CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3 ZINC000009212444 562955741 /nfs/dbraw/zinc/95/57/41/562955741.db2.gz BQPPJGMMIYJVBR-WTKOPTAXSA-N 0 0 468.766 9.050 1 0 JKAFRN COc1ccc(Cl)cc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000009432935 562956041 /nfs/dbraw/zinc/95/60/41/562956041.db2.gz XRTZCAVLIBYZNA-XZOQPEGZSA-N 0 0 469.006 5.986 1 0 JKAFRN CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N=C(C)c2c(C)ccc(C)c2S3)CC1 ZINC000009963320 562957029 /nfs/dbraw/zinc/95/70/29/562957029.db2.gz RNFZELMOPCBCPY-UHFFFAOYSA-N 0 0 451.592 5.259 3 0 JKAFRN Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)cc2)C1 ZINC000011968224 562957904 /nfs/dbraw/zinc/95/79/04/562957904.db2.gz BNFUNQHRCDWJSU-HSZRJFAPSA-N 0 0 498.627 6.298 1 0 JKAFRN CC(C)c1c(C(=O)N(C)Cc2cccc3ncccc23)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012028142 562958669 /nfs/dbraw/zinc/95/86/69/562958669.db2.gz UDWAJINJHRHBJG-UHFFFAOYSA-N 0 0 480.547 5.412 1 0 JKAFRN Cc1cnc(-n2ncc(C(=O)N(C)CCc3ccccn3)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000012079310 562959096 /nfs/dbraw/zinc/95/90/96/562959096.db2.gz RPGIKMMNEPFKQX-UHFFFAOYSA-N 0 0 498.587 5.215 1 0 JKAFRN Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[N@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000012358565 562959917 /nfs/dbraw/zinc/95/99/17/562959917.db2.gz KBXHBLXYBPVCLB-UHFFFAOYSA-N 0 0 456.542 5.358 1 0 JKAFRN COc1ccc(C(=O)c2c3cc(-c4ccc(OC)nc4)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000012477465 562960160 /nfs/dbraw/zinc/96/01/60/562960160.db2.gz XYOJMDBOQQCROF-UHFFFAOYSA-N 0 0 465.505 6.419 3 0 JKAFRN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(C)C(=O)CCc2c[nH]c3ccccc23)cc1 ZINC000012477298 562960181 /nfs/dbraw/zinc/96/01/81/562960181.db2.gz HHQPDVPFPJIKIZ-MUUNZHRXSA-N 0 0 453.586 6.062 3 0 JKAFRN O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCCCCCC1 ZINC000012487778 562960300 /nfs/dbraw/zinc/96/03/00/562960300.db2.gz QJYOSKMYFZJLNN-KNQAVFIVSA-N 0 0 455.517 5.001 3 0 JKAFRN C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000012489829 562960308 /nfs/dbraw/zinc/96/03/08/562960308.db2.gz FOTNZNWTQPGZGW-ZDUSSCGKSA-N 0 0 464.488 5.873 3 0 JKAFRN C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCOCCO ZINC000012507275 562960468 /nfs/dbraw/zinc/96/04/68/562960468.db2.gz UIMSMVNTSYWBNP-ZDUSSCGKSA-N 0 0 495.407 5.788 3 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5C[C@@](C)(CO)[C@@H]6C[C@@]5(CC[C@]43C)C(=O)O6)[C@@]2(C)CC[C@@H]1O ZINC000012726363 562960820 /nfs/dbraw/zinc/96/08/20/562960820.db2.gz CHTCCKSXBYVSBJ-FTZIWTGGSA-N 0 0 470.694 5.657 3 0 JKAFRN CC1(C)C[C@H](O)[C@@]23C[C@@H](OC2=O)[C@]2(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]42C)[C@@H]3C1 ZINC000012726382 562960834 /nfs/dbraw/zinc/96/08/34/562960834.db2.gz PJICFKSSJHWPPN-OJDAGCBISA-N 0 0 470.694 5.655 3 0 JKAFRN O=C(NCc1cccc(Br)c1)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727110 562960931 /nfs/dbraw/zinc/96/09/31/562960931.db2.gz AUNXEZXPBGQNSI-MRXNPFEDSA-N 0 0 495.217 5.296 3 0 JKAFRN C/C(=C\C1CCCCC1)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000013123406 562961397 /nfs/dbraw/zinc/96/13/97/562961397.db2.gz MNIBGXRMIAAKQT-NMUBOVIUSA-N 0 0 477.570 8.370 3 0 JKAFRN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000013125803 562961478 /nfs/dbraw/zinc/96/14/78/562961478.db2.gz PMQPWUPXHSFOLR-HRDSQJOASA-N 0 0 492.619 7.108 3 0 JKAFRN Brc1ccc2c(c1)-c1nc3nc4c(cc3cc1CC2)CCc1ccc(Br)cc1-4 ZINC000013223289 562961941 /nfs/dbraw/zinc/96/19/41/562961941.db2.gz WKYNXFNSJYKIGK-UHFFFAOYSA-N 0 0 492.214 6.686 1 0 JKAFRN Cn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013285328 562961989 /nfs/dbraw/zinc/96/19/89/562961989.db2.gz ZXURDRUYXLVWSH-UHFFFAOYSA-N 0 0 462.808 6.777 1 0 JKAFRN CC(C)=CCOc1c(C)cc(O)c2c1[C@H](O)Oc1c(CC=C(C)C)cc(CC=C(C)C)c(O)c1C2=O ZINC000013373326 562962102 /nfs/dbraw/zinc/96/21/02/562962102.db2.gz SKRQPJZOWGXGMD-SSEXGKCCSA-N 0 0 492.612 6.383 1 0 JKAFRN Oc1cc(O)cc(CCCCCCC/C=C\CCCCCCCCCc2cc(O)cc(O)c2)c1 ZINC000013377949 562962135 /nfs/dbraw/zinc/96/21/35/562962135.db2.gz HEUMTUNIHICGHL-IWQZZHSRSA-N 0 0 468.678 8.312 1 0 JKAFRN CC(C)=CCC[C@](C)(NC(=O)N[C@@](C)(CCC=C(C)C)[C@H]1CC=C(C)CC1)[C@H]1CC=C(C)CC1 ZINC000013377761 562962145 /nfs/dbraw/zinc/96/21/45/562962145.db2.gz OIZGCAHJGCFPJI-QMMMHVTISA-N 0 0 468.770 8.789 1 0 JKAFRN CCCNC(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000013442031 562963489 /nfs/dbraw/zinc/96/34/89/562963489.db2.gz JELZXUHJFVSLLZ-AREMUKBSSA-N 0 0 473.617 6.318 1 0 JKAFRN CCCCNC(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000013442033 562963494 /nfs/dbraw/zinc/96/34/94/562963494.db2.gz NBPTUHRDMYZGFX-HHHXNRCGSA-N 0 0 487.644 6.708 1 0 JKAFRN CC(C)(O)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013442111 562963565 /nfs/dbraw/zinc/96/35/65/562963565.db2.gz HNQWLGYYWOXQJT-LJQANCHMSA-N 0 0 465.443 5.125 1 0 JKAFRN O=C(Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(Cc1ccccc1)C2)c1ccccc1 ZINC000013442723 562963725 /nfs/dbraw/zinc/96/37/25/562963725.db2.gz DGAQFGOEXVKCST-UHFFFAOYSA-N 0 0 487.024 6.443 1 0 JKAFRN CC(C)C(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(Cc1ccccc1)C2 ZINC000013442720 562963768 /nfs/dbraw/zinc/96/37/68/562963768.db2.gz SHFLZIOXIJXUDJ-UHFFFAOYSA-N 0 0 453.007 5.785 1 0 JKAFRN COc1cc(Nc2nc(OCc3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cnco1 ZINC000013445179 562964038 /nfs/dbraw/zinc/96/40/38/562964038.db2.gz ZXYOLSHRFNIZNS-UHFFFAOYSA-N 0 0 451.486 5.525 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 ZINC000013447024 562964382 /nfs/dbraw/zinc/96/43/82/562964382.db2.gz NXLUVNLAIMWEEO-SSEXGKCCSA-N 0 0 497.683 6.871 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1 ZINC000013447074 562964418 /nfs/dbraw/zinc/96/44/18/562964418.db2.gz MJFWJRHZFCTBNY-MHZLTWQESA-N 0 0 476.665 6.418 1 0 JKAFRN CCCc1c(OCCCc2cc3c(cc2O)C[C@@H](CCc2ccccc2)O3)ccc(C(C)=O)c1O ZINC000013453343 562964901 /nfs/dbraw/zinc/96/49/01/562964901.db2.gz SJONRTDCBUYMFS-XMMPIXPASA-N 0 0 474.597 6.201 1 0 JKAFRN COC(=O)NC[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471278 562965551 /nfs/dbraw/zinc/96/55/51/562965551.db2.gz QWPNUQHQVLSBQS-SFHVURJKSA-N 0 0 496.529 6.312 1 0 JKAFRN COC(=O)N[C@H]1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 ZINC000013471298 562965580 /nfs/dbraw/zinc/96/55/80/562965580.db2.gz NLYURQFDYAGQOK-QFIPXVFZSA-N 0 0 496.529 6.537 1 0 JKAFRN COC(=O)NC[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471273 562965591 /nfs/dbraw/zinc/96/55/91/562965591.db2.gz QZFUHCFFTCONDW-KRWDZBQOSA-N 0 0 482.502 6.004 1 0 JKAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC(C)(C)C ZINC000013472278 562965840 /nfs/dbraw/zinc/96/58/40/562965840.db2.gz NAYHGPCOIURHDG-ZEQRLZLVSA-N 0 0 498.689 5.156 1 0 JKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)C(c1ccccc1)c1ccccc1 ZINC000013472567 562965985 /nfs/dbraw/zinc/96/59/85/562965985.db2.gz GTMAMZOWGONZHQ-UHFFFAOYSA-N 0 0 470.528 6.618 1 0 JKAFRN O=C(/C=C/c1ccccc1Cl)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013473058 562966056 /nfs/dbraw/zinc/96/60/56/562966056.db2.gz PQQCDVZHCORTDJ-NTEUORMPSA-N 0 0 496.985 5.582 1 0 JKAFRN O=C(/C=C/c1ccc(Cl)cc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013473033 562966111 /nfs/dbraw/zinc/96/61/11/562966111.db2.gz ZBPXHTCVLBTEET-LZWSPWQCSA-N 0 0 496.985 5.582 1 0 JKAFRN CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCc1ccc(O)c(OC)c1)OC(C)=O ZINC000013475563 562966983 /nfs/dbraw/zinc/96/69/83/562966983.db2.gz INOXFUNIVWWTNW-GPFJBENQSA-N 0 0 475.670 6.596 1 0 JKAFRN COc1cc2c(cc1OC)CN(Cc1ccc(-c3cc(Br)cc(OC)c3OC)[nH]1)CC2 ZINC000013476304 562967104 /nfs/dbraw/zinc/96/71/04/562967104.db2.gz NSOZZCMSSAVDQC-UHFFFAOYSA-N 0 0 487.394 5.037 1 0 JKAFRN O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1Cc1cc(Cl)ccc1-2 ZINC000013476360 562967128 /nfs/dbraw/zinc/96/71/28/562967128.db2.gz AOONPZHOPMGIMM-UHFFFAOYSA-N 0 0 461.780 5.534 1 0 in-vivo JKAFRN COC(=O)c1cc(-c2cccc(Cl)c2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487100 562967595 /nfs/dbraw/zinc/96/75/95/562967595.db2.gz KVVJBSJTQQDHPP-UHFFFAOYSA-N 0 0 461.732 6.462 1 0 JKAFRN COC(=O)c1cc(-c2ccc(F)cc2C)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487110 562967634 /nfs/dbraw/zinc/96/76/34/562967634.db2.gz ZYOMYWVFVUGIMP-UHFFFAOYSA-N 0 0 459.304 6.256 1 0 JKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2cccc(Cl)c2)c1 ZINC000013487466 562967764 /nfs/dbraw/zinc/96/77/64/562967764.db2.gz QLYZQSIMMHWDMU-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN COc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000013487469 562967770 /nfs/dbraw/zinc/96/77/70/562967770.db2.gz KSRYPECOBMELJB-UHFFFAOYSA-N 0 0 450.947 6.376 1 0 JKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Br)cc2)c1 ZINC000013487465 562967786 /nfs/dbraw/zinc/96/77/86/562967786.db2.gz ZINRCTTXYKLXLO-UHFFFAOYSA-N 0 0 499.817 7.130 1 0 JKAFRN COC(=O)c1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000013487472 562967802 /nfs/dbraw/zinc/96/78/02/562967802.db2.gz CKQTYRXIRFDJAZ-UHFFFAOYSA-N 0 0 478.957 6.154 1 0 JKAFRN O=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487494 562967826 /nfs/dbraw/zinc/96/78/26/562967826.db2.gz UGENJRVKAPCWQB-UHFFFAOYSA-N 0 0 475.784 7.366 1 0 JKAFRN Cc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl ZINC000013487499 562967839 /nfs/dbraw/zinc/96/78/39/562967839.db2.gz RUQJICHXWIZZNA-UHFFFAOYSA-N 0 0 489.811 7.675 1 0 JKAFRN O=C(c1ccc(-c2ccccc2)o1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000013487958 562967970 /nfs/dbraw/zinc/96/79/70/562967970.db2.gz DNNLFXSQOUYPSH-NDEPHWFRSA-N 0 0 462.505 5.945 1 0 JKAFRN Nc1ccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013487963 562967987 /nfs/dbraw/zinc/96/79/87/562967987.db2.gz RGBHMNDYUQZHBN-MUUNZHRXSA-N 0 0 477.520 5.527 1 0 JKAFRN O[C@@H](CN(Cc1cccc(C2CCCC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490916 562969426 /nfs/dbraw/zinc/96/94/26/562969426.db2.gz RICDYPGUGQLMLN-SANMLTNESA-N 0 0 455.520 7.066 1 0 JKAFRN O[C@@H](CN(Cc1cccc(SC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490912 562969429 /nfs/dbraw/zinc/96/94/29/562969429.db2.gz IPVGULVLTUJMGW-NRFANRHFSA-N 0 0 487.465 7.021 1 0 JKAFRN COc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1 ZINC000013491651 562969554 /nfs/dbraw/zinc/96/95/54/562969554.db2.gz YKZBAGIEZBPODW-UHFFFAOYSA-N 0 0 460.528 5.148 1 0 JKAFRN CCOc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1 ZINC000013491652 562969570 /nfs/dbraw/zinc/96/95/70/562969570.db2.gz OUQCDNRPXRIJIM-UHFFFAOYSA-N 0 0 474.555 5.538 1 0 JKAFRN COc1cc2ncnc(N3CCCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013491556 562969573 /nfs/dbraw/zinc/96/95/73/562969573.db2.gz JUYKIMBOQBYCBA-UHFFFAOYSA-N 0 0 499.571 5.184 1 0 JKAFRN O=C(c1ccc(-c2ccsc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493115 562970121 /nfs/dbraw/zinc/97/01/21/562970121.db2.gz NSXNARTXJGLHDE-RUZDIDTESA-N 0 0 482.517 5.324 1 0 JKAFRN O=c1ccc(-c2c(-c3ccc(F)cc3F)nc3ccccn32)nn1-c1c(Cl)cccc1Cl ZINC000013493045 562970136 /nfs/dbraw/zinc/97/01/36/562970136.db2.gz XQOXBLZAGOVRCZ-UHFFFAOYSA-N 0 0 469.278 5.799 1 0 JKAFRN O=c1ccc(-c2c(-c3ccc(F)cc3)nc3ccccn32)nn1-c1c(Cl)cccc1Cl ZINC000013493038 562970167 /nfs/dbraw/zinc/97/01/67/562970167.db2.gz AIAMQBKMZVAHHF-UHFFFAOYSA-N 0 0 451.288 5.660 1 0 JKAFRN O=C(c1ccc(-c2ccccc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000013493095 562970171 /nfs/dbraw/zinc/97/01/71/562970171.db2.gz GKNAJAOZNBXBGJ-HHHXNRCGSA-N 0 0 476.488 5.262 1 0 JKAFRN O=C1CCC(c2c(-c3ccc(F)cc3F)nc3ccccn32)=NN1c1c(Cl)cccc1Cl ZINC000013493044 562970201 /nfs/dbraw/zinc/97/02/01/562970201.db2.gz GPXMVHRMRPADJD-UHFFFAOYSA-N 0 0 471.294 6.117 1 0 JKAFRN O=C(Nc1cccc2ccccc21)N[C@H]1CCC[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000013493813 562970312 /nfs/dbraw/zinc/97/03/12/562970312.db2.gz OURISPMWLZRKMI-VXKWHMMOSA-N 0 0 452.558 6.247 1 0 JKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000013493814 562970335 /nfs/dbraw/zinc/97/03/35/562970335.db2.gz IWWOHXNKGMBZCB-HZPDHXFCSA-N 0 0 490.218 6.555 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2c(=O)oc(OCc3ccc(Cl)cc3)cc2-c2ccc(F)cc2)cc1 ZINC000013528613 562971887 /nfs/dbraw/zinc/97/18/87/562971887.db2.gz ASZQVEOULFEDLC-UHFFFAOYSA-N 0 0 484.932 5.749 1 0 JKAFRN CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cccc(Cl)c3)c2-c2ccccc2)cn1 ZINC000013529852 562972133 /nfs/dbraw/zinc/97/21/33/562972133.db2.gz KOPJYYGYQYFABG-UHFFFAOYSA-N 0 0 452.949 5.722 1 0 JKAFRN CC(C)O[C@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530138 562972144 /nfs/dbraw/zinc/97/21/44/562972144.db2.gz QQQCFJRJCXLFAU-QGZVFWFLSA-N 0 0 454.570 5.478 1 0 JKAFRN CC(C)SCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530115 562972154 /nfs/dbraw/zinc/97/21/54/562972154.db2.gz SVYVQAJETHSYFY-UHFFFAOYSA-N 0 0 456.611 5.633 1 0 JKAFRN CCCCCc1c(-c2ccc(N(C)C)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1 ZINC000013529863 562972159 /nfs/dbraw/zinc/97/21/59/562972159.db2.gz LFYOZWNGKIRTMY-UHFFFAOYSA-N 0 0 491.437 5.897 1 0 JKAFRN Cc1cccc(-c2cccc(S(=O)(=O)Nc3cc4c(Cl)n[nH]c4c(NCC(C)C)c3)c2)c1 ZINC000013531415 562972247 /nfs/dbraw/zinc/97/22/47/562972247.db2.gz RNPQITLITGESCR-UHFFFAOYSA-N 0 0 469.010 6.060 1 0 JKAFRN Cc1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)sc3c2)c(Br)c1C ZINC000013533850 562972374 /nfs/dbraw/zinc/97/23/74/562972374.db2.gz TYYVFYMWOLZDGM-UHFFFAOYSA-N 0 0 490.423 6.583 1 0 JKAFRN Cc1cccc(Br)c1NC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000013533858 562972393 /nfs/dbraw/zinc/97/23/93/562972393.db2.gz XGZJLLOOPYLXLS-UHFFFAOYSA-N 0 0 462.369 5.967 1 0 JKAFRN Cc1cc(Br)ccc1NC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000013533832 562972409 /nfs/dbraw/zinc/97/24/09/562972409.db2.gz ZRPYDFLNTOCORL-UHFFFAOYSA-N 0 0 462.369 5.967 1 0 JKAFRN O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O ZINC000013534342 562972413 /nfs/dbraw/zinc/97/24/13/562972413.db2.gz CVJYJKRPDVXLEY-UHFFFAOYSA-N 0 0 494.422 5.147 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21 ZINC000013534337 562972442 /nfs/dbraw/zinc/97/24/42/562972442.db2.gz QCKWKKZGPZWWFN-UHFFFAOYSA-N 0 0 494.466 5.824 1 0 JKAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013534401 562972459 /nfs/dbraw/zinc/97/24/59/562972459.db2.gz ZCTVOGWWMHRQLN-ONEGZZNKSA-N 0 0 492.450 5.673 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl ZINC000013534559 562972525 /nfs/dbraw/zinc/97/25/25/562972525.db2.gz LUIHWONNADEXHA-UHFFFAOYSA-N 0 0 476.363 6.256 1 0 JKAFRN CC(=O)NCCNc1cccc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)n1 ZINC000013536601 562972762 /nfs/dbraw/zinc/97/27/62/562972762.db2.gz YAYUCWJHAGHLJZ-UHFFFAOYSA-N 0 0 495.008 5.197 1 0 JKAFRN CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1 ZINC000013538863 562972933 /nfs/dbraw/zinc/97/29/33/562972933.db2.gz BLSGQTZPQMDWPC-UHFFFAOYSA-N 0 0 499.615 5.504 1 0 JKAFRN CCCCN(CCc1ccc(OC)cc1)c1cc(C)nc2c1nn(C)c2-c1ccc(Cl)cc1Cl ZINC000013553405 562973348 /nfs/dbraw/zinc/97/33/48/562973348.db2.gz ORJVKQQOAKHYRL-UHFFFAOYSA-N 0 0 497.470 7.108 1 0 JKAFRN CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013555218 562973659 /nfs/dbraw/zinc/97/36/59/562973659.db2.gz XVXKDOBLGHCVLT-UHFFFAOYSA-N 0 0 497.823 6.157 1 0 JKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000013557976 562974140 /nfs/dbraw/zinc/97/41/40/562974140.db2.gz OQEXWABXIKXUDO-UHFFFAOYSA-N 0 0 451.364 6.251 1 0 JKAFRN C/C(=C\CN1CC(=O)NC1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 ZINC000013558127 562974142 /nfs/dbraw/zinc/97/41/42/562974142.db2.gz MUHBNIGTDFFPDL-XNTDXEJSSA-N 0 0 485.462 5.203 1 0 JKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)[C@H]([C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558216 562974246 /nfs/dbraw/zinc/97/42/46/562974246.db2.gz DJPXQGGSIIDFGE-XHJPDDKBSA-N 0 0 460.743 6.192 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000013558227 562974267 /nfs/dbraw/zinc/97/42/67/562974267.db2.gz NBZBTAKAPMGTPB-BXLDTRCISA-N 0 0 484.721 6.789 1 0 JKAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cnc2ccccc2c1-c1ccccc1 ZINC000013559598 562974958 /nfs/dbraw/zinc/97/49/58/562974958.db2.gz HOXMJKBXEYOSML-UHFFFAOYSA-N 0 0 488.431 7.212 1 0 JKAFRN COc1cc([C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc(F)c1F ZINC000013560785 562975394 /nfs/dbraw/zinc/97/53/94/562975394.db2.gz MFEARMWUWKRDRV-BQQUOAEZSA-N 0 0 454.492 5.778 1 0 JKAFRN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4)cc3oc2SCc2ccccc2)cc1 ZINC000013581365 562975763 /nfs/dbraw/zinc/97/57/63/562975763.db2.gz XNXMLBOPVMDDFR-UHFFFAOYSA-N 0 0 480.585 7.340 1 0 JKAFRN Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccc(F)cc3)nn2n1 ZINC000013582761 562975912 /nfs/dbraw/zinc/97/59/12/562975912.db2.gz VUGNSTAXWJUVEZ-UHFFFAOYSA-N 0 0 498.871 6.717 1 0 JKAFRN FC(F)(F)c1cccc(Nc2nccc(-c3c4cccnn4nc3-c3ccc(Cl)cc3)n2)c1 ZINC000013582712 562975930 /nfs/dbraw/zinc/97/59/30/562975930.db2.gz KZJFAFWABJRTTI-UHFFFAOYSA-N 0 0 466.854 6.269 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccs3)[nH]c(=O)c12 ZINC000013585158 562976254 /nfs/dbraw/zinc/97/62/54/562976254.db2.gz JFEZJCNPUCMLNL-UHFFFAOYSA-N 0 0 457.795 5.443 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 ZINC000013585164 562976279 /nfs/dbraw/zinc/97/62/79/562976279.db2.gz JIYZWLRJGRBXLQ-UHFFFAOYSA-N 0 0 451.766 5.382 1 0 JKAFRN COc1ccc(-n2nc(COc3cc(F)cc(C4(OC)CCOCC4)c3)cc2-c2ccccc2)cc1 ZINC000013585668 562976326 /nfs/dbraw/zinc/97/63/26/562976326.db2.gz QWTBQYLKKFHZCI-UHFFFAOYSA-N 0 0 488.559 5.918 1 0 JKAFRN COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1 ZINC000013585663 562976370 /nfs/dbraw/zinc/97/63/70/562976370.db2.gz ITXUVIRIRIWMQU-UHFFFAOYSA-N 0 0 492.978 6.563 1 0 JKAFRN CCOC(=O)N1CCC(n2c(SC)nc(-c3ccc(F)cc3)c2-c2ccnc(NC(C)=O)c2)CC1 ZINC000013586237 562976551 /nfs/dbraw/zinc/97/65/51/562976551.db2.gz BFOWLSCQPNFMAU-UHFFFAOYSA-N 0 0 497.596 5.225 1 0 JKAFRN CCOCCn1cc(C2CC[NH+](Cc3cc(C(=O)[O-])ccc3Br)CC2)c2ccccc21 ZINC000013586279 562976558 /nfs/dbraw/zinc/97/65/58/562976558.db2.gz RPSZKBDNKHVSEN-UHFFFAOYSA-N 0 0 485.422 5.518 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1 ZINC000013586597 562976712 /nfs/dbraw/zinc/97/67/12/562976712.db2.gz GSNHVPKMVWPMEI-AREMUKBSSA-N 0 0 472.029 5.435 1 0 JKAFRN O=C1NCc2nc(Sc3ccccc3C(F)(F)F)ccc2N1c1c(Cl)cccc1Cl ZINC000013587250 562977045 /nfs/dbraw/zinc/97/70/45/562977045.db2.gz PPOVYJFOYAQPQN-UHFFFAOYSA-N 0 0 470.303 6.920 1 0 JKAFRN O=C1NCc2nc(Sc3cccc(C(F)(F)F)c3)ccc2N1c1c(Cl)cccc1Cl ZINC000013587254 562977049 /nfs/dbraw/zinc/97/70/49/562977049.db2.gz IABIHEGABGZMMG-UHFFFAOYSA-N 0 0 470.303 6.920 1 0 JKAFRN Cn1cnnc1[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587821 562977371 /nfs/dbraw/zinc/97/73/71/562977371.db2.gz AIZAXCJJFKTNIA-RUZDIDTESA-N 0 0 475.379 5.821 1 0 JKAFRN COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccc(Br)cc1)C(C)(C)C)CC2 ZINC000013588108 562977446 /nfs/dbraw/zinc/97/74/46/562977446.db2.gz UHAYOUSNUNIKHN-HXUWFJFHSA-N 0 0 460.412 5.256 1 0 JKAFRN O=C(C[C@@H]1CCc2cc(OCc3ccccc3)ccc2C1=O)N1CCC(c2ccccc2)CC1 ZINC000013588372 562977627 /nfs/dbraw/zinc/97/76/27/562977627.db2.gz VFZHAZYDXSIRHK-SANMLTNESA-N 0 0 453.582 5.807 1 0 JKAFRN c1cncc(Cc2ccc3c(c2)CN2c4ccc(Cc5cccnc5)cc4CN3C2c2cccnc2)c1 ZINC000013600182 562978254 /nfs/dbraw/zinc/97/82/54/562978254.db2.gz PFPXJOAQXIMRPK-UHFFFAOYSA-N 0 0 481.603 6.092 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCO[C@@H]1CCCCO1 ZINC000013600112 562978259 /nfs/dbraw/zinc/97/82/59/562978259.db2.gz HREKWHURMFDFJF-LJAQVGFWSA-N 0 0 487.725 7.885 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCO[C@H]1CCCCO1 ZINC000013600115 562978274 /nfs/dbraw/zinc/97/82/74/562978274.db2.gz HREKWHURMFDFJF-GDLZYMKVSA-N 0 0 487.725 7.885 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600993 562978325 /nfs/dbraw/zinc/97/83/25/562978325.db2.gz QGDYFSWAYPPTSR-HHHXNRCGSA-N 0 0 471.707 7.017 1 0 JKAFRN O=C(Nc1ccc2ncccc2c1)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605275 562978676 /nfs/dbraw/zinc/97/86/76/562978676.db2.gz LJKPWDZYKCYKMH-UUWRZZSWSA-N 0 0 463.562 5.779 1 0 JKAFRN CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013606893 562978824 /nfs/dbraw/zinc/97/88/24/562978824.db2.gz IBIXUOFCPOFOAC-UHFFFAOYSA-N 0 0 469.625 7.123 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21 ZINC000013607341 562978860 /nfs/dbraw/zinc/97/88/60/562978860.db2.gz GQCXMBKAWBPHMG-UHFFFAOYSA-N 0 0 488.503 7.840 1 0 JKAFRN O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)N1CCc2ccccc2C1 ZINC000013607391 562978928 /nfs/dbraw/zinc/97/89/28/562978928.db2.gz IWMNSOKQMNVIGS-UHFFFAOYSA-N 0 0 470.787 6.089 1 0 JKAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1 ZINC000013608826 562979154 /nfs/dbraw/zinc/97/91/54/562979154.db2.gz PAPJLFSOPBIPIF-OWOJBTEDSA-N 0 0 481.427 5.164 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4Cl)cc3)c2cc1OC ZINC000013610145 562979214 /nfs/dbraw/zinc/97/92/14/562979214.db2.gz KQCBMFNKIZAQSF-UHFFFAOYSA-N 0 0 484.339 6.995 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc3)c2cc1OC ZINC000013610163 562979228 /nfs/dbraw/zinc/97/92/28/562979228.db2.gz DIKMXNTWZASZBL-UHFFFAOYSA-N 0 0 484.339 6.995 1 0 JKAFRN COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4cc(OC)c(OC)cc43)cc2)cc1 ZINC000013610061 562979251 /nfs/dbraw/zinc/97/92/51/562979251.db2.gz JMXMUMZQKWJUAV-UHFFFAOYSA-N 0 0 461.543 6.056 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2cc1OC ZINC000013610159 562979252 /nfs/dbraw/zinc/97/92/52/562979252.db2.gz FPZFOTHNFGTZRK-UHFFFAOYSA-N 0 0 484.339 6.995 1 0 JKAFRN c1ccc(-c2nnc3c4c(c(OCc5ncccc5OC5CCC5)nn23)C2CCC4CC2)cc1 ZINC000013610271 562979337 /nfs/dbraw/zinc/97/93/37/562979337.db2.gz MVRQEXCODUMJFZ-UHFFFAOYSA-N 0 0 453.546 5.451 1 0 JKAFRN CCCc1ccc(C(=O)Nc2ccc3c(c2)[C@@](C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 ZINC000013611367 562979344 /nfs/dbraw/zinc/97/93/44/562979344.db2.gz GUHHQHLOTUGFKQ-SSEXGKCCSA-N 0 0 454.614 6.733 1 0 JKAFRN c1ccc(COc2cccnc2COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000013610274 562979357 /nfs/dbraw/zinc/97/93/57/562979357.db2.gz FVLVVJPWTSTRCM-UHFFFAOYSA-N 0 0 489.579 6.099 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611382 562979405 /nfs/dbraw/zinc/97/94/05/562979405.db2.gz ZBPFLJAYZMFHIN-XIFFEERXSA-N 0 0 488.631 7.447 1 0 JKAFRN CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611450 562979414 /nfs/dbraw/zinc/97/94/14/562979414.db2.gz GOZACAOMDPYIPZ-XIFFEERXSA-N 0 0 475.632 7.774 1 0 JKAFRN CC(=O)N1c2ccc(NCc3ccc(C(C)(C)C)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611397 562979458 /nfs/dbraw/zinc/97/94/58/562979458.db2.gz XYOCGNMPEQKUES-HKBQPEDESA-N 0 0 454.658 7.437 1 0 JKAFRN Cc1c(C(=O)NN2C[C@H]3CCC[C@@H]3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611877 562979470 /nfs/dbraw/zinc/97/94/70/562979470.db2.gz SVSQPQKRRBNFOC-HZPDHXFCSA-N 0 0 489.834 6.185 1 0 JKAFRN Cc1cc2ccc([N-]S(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc2n1CC[NH+](C)C ZINC000013611702 562979503 /nfs/dbraw/zinc/97/95/03/562979503.db2.gz YDRGTUPATVNHPO-UHFFFAOYSA-N 0 0 462.040 5.489 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl ZINC000013611903 562979558 /nfs/dbraw/zinc/97/95/58/562979558.db2.gz BRKGGFYGJOKMTE-UHFFFAOYSA-N 0 0 463.796 5.939 1 0 JKAFRN Cc1c(C(=O)N2CCc3ccccc3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611891 562979561 /nfs/dbraw/zinc/97/95/61/562979561.db2.gz PGXDLZYAKFSBNC-UHFFFAOYSA-N 0 0 496.825 7.006 1 0 JKAFRN O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1Cl ZINC000013611899 562979586 /nfs/dbraw/zinc/97/95/86/562979586.db2.gz QTKOMAQFGBXVHU-UHFFFAOYSA-N 0 0 484.214 6.284 1 0 JKAFRN O=C(/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)Nc1ccc(O)cc1 ZINC000013648516 562980895 /nfs/dbraw/zinc/98/08/95/562980895.db2.gz CCCIHAQNDCTXTJ-KGVSQERTSA-N 0 0 465.593 6.885 1 0 JKAFRN Nc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1 ZINC000013648519 562980897 /nfs/dbraw/zinc/98/08/97/562980897.db2.gz DWNQOPMOUOSBEO-KPKJPENVSA-N 0 0 464.609 6.761 1 0 JKAFRN CCOC(=O)C1(C(=O)OCC)CCC=C2[C@@H]1CCC1=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]12C ZINC000013651637 562981725 /nfs/dbraw/zinc/98/17/25/562981725.db2.gz OIFNZXMIWPWKMW-HOFKKMOUSA-N 0 0 478.564 5.200 1 0 JKAFRN CN(C[C@H](Cc1ccccc1)N(C[C@@H](CC1CCCCC1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659553 562982033 /nfs/dbraw/zinc/98/20/33/562982033.db2.gz RZMVAKXWRLAOJS-RRPNLBNLSA-N 0 0 494.640 5.759 3 0 JKAFRN COc1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013661836 562982404 /nfs/dbraw/zinc/98/24/04/562982404.db2.gz GDCXIJQNNPOANR-QGUTYXHZSA-N 0 0 471.572 6.566 3 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(F)c(-c4ccc(N(C)C)cc4)c3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662054 562982471 /nfs/dbraw/zinc/98/24/71/562982471.db2.gz RJKKVXQMNOSNTH-KDKRWHCCSA-N 0 0 454.589 6.471 3 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013661871 562982476 /nfs/dbraw/zinc/98/24/76/562982476.db2.gz JPLGLYXSYMSYAT-MJQKZAJVSA-N 0 0 483.608 6.291 3 0 JKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SCCO[C@@H]2CCCCO2)c(CC)nc1-c1ccccc1 ZINC000013672374 562982679 /nfs/dbraw/zinc/98/26/79/562982679.db2.gz HXLNVSHAHOXVRR-HSZRJFAPSA-N 0 0 499.673 6.247 1 0 JKAFRN CC(C)CCn1cc2c(n1)nc(NC(=O)Nc1cccc(Cl)c1)n1nc(-c3ccco3)nc21 ZINC000013672033 562982680 /nfs/dbraw/zinc/98/26/80/562982680.db2.gz SFQLGHQUUPLEHJ-UHFFFAOYSA-N 0 0 464.917 5.078 1 0 JKAFRN CCCCCCSC(=O)c1c(CC)nc(-c2cccc(Cl)c2)c(C(=O)OCCC)c1CC ZINC000013672368 562982722 /nfs/dbraw/zinc/98/27/22/562982722.db2.gz APMWCJWGZQDHJU-UHFFFAOYSA-N 0 0 476.082 7.547 1 0 JKAFRN CC[C@H]1Cn2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c3nc(C)cc(c32)N1CC1CC1 ZINC000013672751 562982726 /nfs/dbraw/zinc/98/27/26/562982726.db2.gz DLNVYJPOXOCHPX-HNNXBMFYSA-N 0 0 468.445 6.453 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2c(cccc2N(C)C)[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013673001 562982737 /nfs/dbraw/zinc/98/27/37/562982737.db2.gz RLAIFASMPDSJOC-ILBGXUMGSA-N 0 0 461.643 5.539 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013672997 562982744 /nfs/dbraw/zinc/98/27/44/562982744.db2.gz FGCHDKDNKUEPFV-JWQCQUIFSA-N 0 0 461.643 5.539 1 0 JKAFRN CCCCCC1(CCCCC)CS(=O)(=O)c2ccc(C)cc2[C@@H](c2ccc(F)cc2)[C@H]1O ZINC000013672980 562982748 /nfs/dbraw/zinc/98/27/48/562982748.db2.gz IEKVOCOHLGSMDR-CLJLJLNGSA-N 0 0 460.655 6.561 1 0 JKAFRN CCCC[C@]1(CC)CS(=O)(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[C@@H](c2ccccc2)[C@H]1O ZINC000013672954 562982776 /nfs/dbraw/zinc/98/27/76/562982776.db2.gz PVPGYTTVYPDFLT-FKCDAAJZSA-N 0 0 487.662 5.900 1 0 JKAFRN CCCC[C@]1(CC)CS(=O)(=O)c2ccc(-c3ccccc3)cc2[C@@H](c2cccc(OC)c2)[C@H]1O ZINC000013672971 562982779 /nfs/dbraw/zinc/98/27/79/562982779.db2.gz YUAGFDTVVNHBPH-MPFGFTFXSA-N 0 0 478.654 6.229 1 0 JKAFRN CCc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 ZINC000013673405 562982837 /nfs/dbraw/zinc/98/28/37/562982837.db2.gz LQPLVPGSGMDTKQ-UHFFFAOYSA-N 0 0 453.489 6.706 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)c(F)c2)[C@H]1O ZINC000013673040 562982844 /nfs/dbraw/zinc/98/28/44/562982844.db2.gz WFYJIQZQSQYGTO-CLJLJLNGSA-N 0 0 491.669 5.547 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3c(Cc4ccncc4)sc4ncnc(N)c43)cc2)c1 ZINC000013673668 562982907 /nfs/dbraw/zinc/98/29/07/562982907.db2.gz MXHHCGBNNWOCGV-UHFFFAOYSA-N 0 0 466.570 5.879 1 0 JKAFRN COC(=O)CCC/C=C(/c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)ccc1OC ZINC000013673841 562982915 /nfs/dbraw/zinc/98/29/15/562982915.db2.gz GVYHWCSTRPXJKQ-APSNUPSMSA-N 0 0 467.345 5.572 1 0 JKAFRN O=C(Nc1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2 ZINC000013676072 562983325 /nfs/dbraw/zinc/98/33/25/562983325.db2.gz BWHUBPUDNYRPGD-UHFFFAOYSA-N 0 0 482.798 7.241 1 0 JKAFRN O=C(NC1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2 ZINC000013676070 562983335 /nfs/dbraw/zinc/98/33/35/562983335.db2.gz ADAVAHIZKNKQSU-UHFFFAOYSA-N 0 0 488.846 7.051 1 0 JKAFRN COc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1OC ZINC000013677568 562983688 /nfs/dbraw/zinc/98/36/88/562983688.db2.gz VXAKKMBLHZDRKT-UHFFFAOYSA-N 0 0 451.375 5.285 1 0 JKAFRN O=C1[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680156 562984117 /nfs/dbraw/zinc/98/41/17/562984117.db2.gz WIFMWPHYILJXFS-IBGZPJMESA-N 0 0 476.157 6.470 1 0 JKAFRN O=C(Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000013682562 562984264 /nfs/dbraw/zinc/98/42/64/562984264.db2.gz LJXMKOXLIUVPFN-UHFFFAOYSA-N 0 0 473.907 7.478 3 0 JKAFRN Cc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 ZINC000013685074 562984329 /nfs/dbraw/zinc/98/43/29/562984329.db2.gz RHDRWCGVMYVILD-UHFFFAOYSA-N 0 0 488.632 5.775 1 0 JKAFRN Cc1cccc(-c2nn3c(c2-c2ccc4c(c2)ncn4CCCO[C@H]2CCCCO2)CCC3)n1 ZINC000013684204 562984352 /nfs/dbraw/zinc/98/43/52/562984352.db2.gz FEZFMQOPZJEIEX-VWLOTQADSA-N 0 0 457.578 5.150 1 0 JKAFRN CC(C)CC(C/C=C1/C[C@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O)CC(C)C ZINC000013684014 562984358 /nfs/dbraw/zinc/98/43/58/562984358.db2.gz YNSHOHKDVJINOC-AJLSTAROSA-N 0 0 466.703 6.331 1 0 JKAFRN Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)s3)cc2)c(COCc2ccccc2)n1 ZINC000013686021 562984374 /nfs/dbraw/zinc/98/43/74/562984374.db2.gz ALMNUCWWJJTEKG-UHFFFAOYSA-N 0 0 451.983 5.352 1 0 JKAFRN C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C ZINC000013686843 562984423 /nfs/dbraw/zinc/98/44/23/562984423.db2.gz MBXSPMOLIYZPJV-HRPIOMARSA-N 0 0 460.699 5.457 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCO[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000013729426 562985138 /nfs/dbraw/zinc/98/51/38/562985138.db2.gz IECCVNACZVCBPJ-UZLBHIALSA-N 0 0 476.322 5.915 1 0 JKAFRN CCCc1nc2ccc(-c3ccccn3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013732087 562985336 /nfs/dbraw/zinc/98/53/36/562985336.db2.gz PFYMSMASTADICJ-UHFFFAOYSA-N 0 0 471.568 5.946 1 0 JKAFRN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735099 562985815 /nfs/dbraw/zinc/98/58/15/562985815.db2.gz UEMGXUASYJHCFA-LJQANCHMSA-N 0 0 463.158 6.419 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2cccnc2COc2ccc(Br)cc21 ZINC000013735316 562985825 /nfs/dbraw/zinc/98/58/25/562985825.db2.gz CHNANAXGOHZKGB-DEOSSOPVSA-N 0 0 479.418 6.754 1 0 JKAFRN Cc1cc(Br)c2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735287 562985829 /nfs/dbraw/zinc/98/58/29/562985829.db2.gz WBTNHOLCACGKRI-VWLOTQADSA-N 0 0 492.457 7.667 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2CCc2ccc(Br)cc21 ZINC000013735330 562985834 /nfs/dbraw/zinc/98/58/34/562985834.db2.gz ULPIYDNXOGETTF-SANMLTNESA-N 0 0 476.458 7.565 1 0 JKAFRN Cc1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1cc(Br)ccc1CO2 ZINC000013735297 562985838 /nfs/dbraw/zinc/98/58/38/562985838.db2.gz UWSQAFFBAMETQS-AREMUKBSSA-N 0 0 492.457 7.667 1 0 JKAFRN COC(=O)c1cc(C)cc2c1OCc1ccccc1[C@@H]2C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013735278 562985856 /nfs/dbraw/zinc/98/58/56/562985856.db2.gz LRCLMLRBNOVJSD-SANMLTNESA-N 0 0 471.597 6.691 1 0 JKAFRN O=C1NC(=O)c2cc(Nc3ccc(-c4ccccc4)cc3)c(Nc3ccc(-c4ccccc4)cc3)cc21 ZINC000013735556 562985862 /nfs/dbraw/zinc/98/58/62/562985862.db2.gz AVGVNDBIYKJMCJ-UHFFFAOYSA-N 0 0 481.555 7.391 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(C(=O)N(C)C)cc21 ZINC000013735257 562985866 /nfs/dbraw/zinc/98/58/66/562985866.db2.gz LPFPARFZKWQEGO-MHZLTWQESA-N 0 0 470.613 6.298 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000013736813 562985930 /nfs/dbraw/zinc/98/59/30/562985930.db2.gz XUKUHTGQSQWJAP-UHFFFAOYSA-N 0 0 457.456 7.329 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(CCO)CCO)cc2)CCCC1 ZINC000013736840 562985954 /nfs/dbraw/zinc/98/59/54/562985954.db2.gz YGFPCFVUUSLJRZ-UHFFFAOYSA-N 0 0 481.681 5.358 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000013737173 562986015 /nfs/dbraw/zinc/98/60/15/562986015.db2.gz ROCATXILCFUQMN-XMMPIXPASA-N 0 0 457.618 6.269 1 0 JKAFRN COC(=O)CCCCC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737146 562986016 /nfs/dbraw/zinc/98/60/16/562986016.db2.gz BMOFZBXWCQZKNU-DEOSSOPVSA-N 0 0 481.637 5.646 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](CNC(=O)c1ccccc1)c1ccccc1 ZINC000013737176 562986059 /nfs/dbraw/zinc/98/60/59/562986059.db2.gz ROCATXILCFUQMN-DEOSSOPVSA-N 0 0 457.618 6.269 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](CNC(=O)c1ccccn1)c1ccccc1 ZINC000013737222 562986098 /nfs/dbraw/zinc/98/60/98/562986098.db2.gz CPKWAHZFDTVKBO-QFIPXVFZSA-N 0 0 458.606 5.664 1 0 JKAFRN CCCCCCC(=O)N[C@H](COC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737312 562986116 /nfs/dbraw/zinc/98/61/16/562986116.db2.gz FNIRMJUFDZGOPC-RUZDIDTESA-N 0 0 452.639 7.310 1 0 JKAFRN Cc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 ZINC000013737651 562986196 /nfs/dbraw/zinc/98/61/96/562986196.db2.gz ISEBTYLPIRENJV-UHFFFAOYSA-N 0 0 458.295 7.439 1 0 JKAFRN COc1ccc(C(OCC[N@@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000013737900 562986262 /nfs/dbraw/zinc/98/62/62/562986262.db2.gz WEZHDKFNVQTVJF-DEOSSOPVSA-N 0 0 473.613 5.417 1 0 JKAFRN COc1ccc([C@](OCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(F)c2)cc1F ZINC000013737904 562986268 /nfs/dbraw/zinc/98/62/68/562986268.db2.gz QPLCEYNIPVOVMI-NGOKVRLYSA-N 0 0 481.539 5.079 1 0 JKAFRN CSc1ncccc1C(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738249 562986499 /nfs/dbraw/zinc/98/64/99/562986499.db2.gz RSBYPEMBFIYLRP-UHFFFAOYSA-N 0 0 462.018 5.689 1 0 JKAFRN CC(C)NC(=O)N(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 ZINC000013738830 562986606 /nfs/dbraw/zinc/98/66/06/562986606.db2.gz YSGIODIQUSMWDZ-UHFFFAOYSA-N 0 0 498.696 7.631 1 0 JKAFRN C[C@@]1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000013740648 562986848 /nfs/dbraw/zinc/98/68/48/562986848.db2.gz JFBCXOANABQRMF-FQEVSTJZSA-N 0 0 470.369 5.686 1 0 JKAFRN COc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC ZINC000013741234 562987054 /nfs/dbraw/zinc/98/70/54/562987054.db2.gz RMGYOKIILRFJTF-SANMLTNESA-N 0 0 451.566 5.936 1 0 JKAFRN CCOC(=O)COc1cccc2c1nc(Nc1ccc(F)cc1C)nc2N(C)c1ccccc1 ZINC000013742304 562987310 /nfs/dbraw/zinc/98/73/10/562987310.db2.gz TXWUNNAZIKLWPG-UHFFFAOYSA-N 0 0 460.509 5.531 1 0 JKAFRN Cc1cc(C)cc(CN(C)C(=O)Nc2c(-c3ccccc3)c3cc(C)c(C)cc3c(=O)n2C)c1 ZINC000013742620 562987386 /nfs/dbraw/zinc/98/73/86/562987386.db2.gz CZPWZLLKNSCBBA-UHFFFAOYSA-N 0 0 453.586 6.103 1 0 JKAFRN CCCCc1nc(-c2ncccc2OC)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742398 562987389 /nfs/dbraw/zinc/98/73/89/562987389.db2.gz KZWIEBSAGBDTMA-UHFFFAOYSA-N 0 0 465.561 5.192 1 0 JKAFRN Cc1ccc(-c2c3cccnc3c(=O)n(C)c2C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000013742642 562987478 /nfs/dbraw/zinc/98/74/78/562987478.db2.gz VPZHHFGGFNADGH-UHFFFAOYSA-N 0 0 466.368 5.488 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1Cl)c1ccccc1 ZINC000013744148 562987828 /nfs/dbraw/zinc/98/78/28/562987828.db2.gz ABUAYXONELMOKH-HMILPKGGSA-N 0 0 490.003 5.926 1 0 JKAFRN CCCCc1nc(C)n(Cc2cccs2)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013744594 562987920 /nfs/dbraw/zinc/98/79/20/562987920.db2.gz UAERYFBRVVNXNG-UHFFFAOYSA-N 0 0 496.640 5.442 1 0 JKAFRN CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 ZINC000013755611 562988569 /nfs/dbraw/zinc/98/85/69/562988569.db2.gz QNFSXSITVMDGSZ-GGXMVOPNSA-N 0 0 482.665 5.560 1 0 JKAFRN O=C(CCC[C@@H](c1ccccc1)C(F)(F)F)N1[C@H](C(=O)N2CCCC2)C[C@@H]2CCCC[C@@H]21 ZINC000013756448 562988728 /nfs/dbraw/zinc/98/87/28/562988728.db2.gz HLDBZYSTFIUFSZ-CMOCDZPBSA-N 0 0 450.545 5.285 1 0 JKAFRN CC(C)(C)NC(=O)c1ccccc1CC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756952 562988841 /nfs/dbraw/zinc/98/88/41/562988841.db2.gz JQNYODUTAJVBKZ-QHCPKHFHSA-N 0 0 474.645 5.433 1 0 JKAFRN CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCc3ccccn3)c2c1C(=O)C(N)=O ZINC000013758542 562988998 /nfs/dbraw/zinc/98/89/98/562988998.db2.gz CCHBZDWYYMDKLJ-UHFFFAOYSA-N 0 0 489.575 5.402 1 0 JKAFRN CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCc3ccncc3)c2c1C(=O)C(N)=O ZINC000013758544 562989018 /nfs/dbraw/zinc/98/90/18/562989018.db2.gz NJSSZEIASOURIM-UHFFFAOYSA-N 0 0 489.575 5.402 1 0 JKAFRN COc1ccc(N(C)C(=O)/C=C2\c3nc4ccccc4cc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000013759893 562989325 /nfs/dbraw/zinc/98/93/25/562989325.db2.gz MHBSCCHOLYAAGS-LFVJCYFKSA-N 0 0 469.928 5.561 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(OCc3ccccc3)cc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 ZINC000013761463 562989935 /nfs/dbraw/zinc/98/99/35/562989935.db2.gz JPQNTLPMEWVANT-HKBQPEDESA-N 0 0 492.527 5.393 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1 ZINC000013776492 562990878 /nfs/dbraw/zinc/99/08/78/562990878.db2.gz HPVKAZTUQJRACO-NTHJKTIXSA-N 0 0 477.649 5.469 1 0 JKAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c2cccc3OCc2ccccc2)cc1 ZINC000013776711 562991092 /nfs/dbraw/zinc/99/10/92/562991092.db2.gz CBSICGDOCZKFSE-UHFFFAOYSA-N 0 0 472.548 6.079 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cc(F)cc(Br)c1)Oc1ccccc1-3 ZINC000013777132 562991112 /nfs/dbraw/zinc/99/11/12/562991112.db2.gz YFNBIUHMEJNYNB-DEOSSOPVSA-N 0 0 450.351 7.344 1 0 JKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2ccccn2)cc1)C1CCCCCC1 ZINC000013779972 562991727 /nfs/dbraw/zinc/99/17/27/562991727.db2.gz QTQCNOHJUKNLRV-UHFFFAOYSA-N 0 0 453.508 6.923 1 0 JKAFRN COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 ZINC000013780021 562991749 /nfs/dbraw/zinc/99/17/49/562991749.db2.gz MICKBPFHYUHRMN-UHFFFAOYSA-N 0 0 469.516 5.405 1 0 JKAFRN CCOC(=O)c1ncc2c(c3cc(OCc4cccc5ccccc54)ccc3n2C)c1COC ZINC000013780133 562991787 /nfs/dbraw/zinc/99/17/87/562991787.db2.gz BOXRZPNLGLBATJ-UHFFFAOYSA-N 0 0 454.526 5.782 1 0 JKAFRN O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21)C(c1ccccc1)c1ccccc1 ZINC000013780419 562991819 /nfs/dbraw/zinc/99/18/19/562991819.db2.gz QIDNMRQLLPNOCJ-UHFFFAOYSA-N 0 0 479.927 5.962 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1C[C@H](C)CCC ZINC000013780881 562991930 /nfs/dbraw/zinc/99/19/30/562991930.db2.gz UNLIOLURVUTCAJ-NFEIJPORSA-N 0 0 488.669 5.139 1 0 JKAFRN Cc1cc(C)cc(C(=O)N[C@H]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)[C@H](Cc3ccccc3)C2)c1 ZINC000013781116 562992100 /nfs/dbraw/zinc/99/21/00/562992100.db2.gz YGJJHXAXGBNADU-IZZNHLLZSA-N 0 0 495.450 6.256 1 0 JKAFRN CCCCN(CC)c1nc(C)nc(N(CC)c2ccc(OC(F)(F)F)cc2Br)n1 ZINC000013794566 562992941 /nfs/dbraw/zinc/99/29/41/562992941.db2.gz BAWYWONSUUQCDE-UHFFFAOYSA-N 0 0 476.341 5.626 1 0 JKAFRN CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1 ZINC000013795428 562993025 /nfs/dbraw/zinc/99/30/25/562993025.db2.gz JQSMVGOPBCFDGW-UHFFFAOYSA-N 0 0 456.420 5.538 1 0 JKAFRN CC1(C)C=C(n2ccccc2=O)c2cc(OC(=O)Nc3ccccc3C(F)(F)F)ccc2O1 ZINC000013795425 562993050 /nfs/dbraw/zinc/99/30/50/562993050.db2.gz LSPIXVAZOAHETO-UHFFFAOYSA-N 0 0 456.420 5.538 1 0 JKAFRN CCCCCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@H](CC)c1ccccc1 ZINC000013795665 562993066 /nfs/dbraw/zinc/99/30/66/562993066.db2.gz ORCKNPMHBCNZJT-HHHXNRCGSA-N 0 0 450.626 7.906 1 0 JKAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2c[nH]cn2)cc1-c1cccc2ccccc21 ZINC000013796758 562993213 /nfs/dbraw/zinc/99/32/13/562993213.db2.gz TUQRZGWNDBXSNP-SANMLTNESA-N 0 0 470.573 5.160 1 0 JKAFRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3ccco3)n2)CC1 ZINC000013797248 562993364 /nfs/dbraw/zinc/99/33/64/562993364.db2.gz RJKIATOONRELLI-UHFFFAOYSA-N 0 0 462.352 5.383 1 0 JKAFRN O=C1OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccc(Cl)c3cccc1c32 ZINC000013798157 562993518 /nfs/dbraw/zinc/99/35/18/562993518.db2.gz MHEAOWBYSPTNSU-UHFFFAOYSA-N 0 0 471.723 6.674 1 0 JKAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](CNC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798765 562993575 /nfs/dbraw/zinc/99/35/75/562993575.db2.gz PZFSUXKUZDNNGH-HSZRJFAPSA-N 0 0 499.615 5.134 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOC=C(c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)C1 ZINC000013800123 562993807 /nfs/dbraw/zinc/99/38/07/562993807.db2.gz OPTRDMDDJMYVCP-CQSZACIVSA-N 0 0 456.316 5.474 1 0 JKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc3c(c(-c4cccnc4)c1)OCC3)CC2 ZINC000013806173 562995195 /nfs/dbraw/zinc/99/51/95/562995195.db2.gz SXBHICYVWPUTOA-UHFFFAOYSA-N 0 0 455.436 5.306 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)NCc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809387 562995658 /nfs/dbraw/zinc/99/56/58/562995658.db2.gz LFBINKZYFIKYAY-UHFFFAOYSA-N 0 0 460.961 5.468 1 0 JKAFRN O=C(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccccc1 ZINC000013813351 562995839 /nfs/dbraw/zinc/99/58/39/562995839.db2.gz MBJJHLJOSUDQLT-MHZLTWQESA-N 0 0 472.592 5.837 1 0 JKAFRN CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccc2ccccc2c1 ZINC000013813413 562995932 /nfs/dbraw/zinc/99/59/32/562995932.db2.gz LAYFGONHHCIWDG-RUZDIDTESA-N 0 0 489.417 5.305 1 0 JKAFRN Cc1cccc(C2=NN(c3ccccc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000013813469 562996021 /nfs/dbraw/zinc/99/60/21/562996021.db2.gz OMNCXDHDCUSSQS-ISKFKSNPSA-N 0 0 459.933 5.004 3 0 aggregator JKAFRN CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OC(C)C)cc1-2 ZINC000013814004 562996133 /nfs/dbraw/zinc/99/61/33/562996133.db2.gz AQINYBONKVJPOR-UHFFFAOYSA-N 0 0 452.635 7.803 1 0 JKAFRN CCCCCCOC(=O)c1ccc2c(c1)-c1c(OC)cc(C(C)(C)CCCCCC)cc1OC2(C)C ZINC000013814007 562996165 /nfs/dbraw/zinc/99/61/65/562996165.db2.gz LUKURKKDJASILX-UHFFFAOYSA-N 0 0 494.716 8.975 1 0 JKAFRN Cc1cccc2sc(NC(=O)/C=C/c3ccccc3Sc3ccc(Cl)cc3Cl)nc21 ZINC000013814721 562996166 /nfs/dbraw/zinc/99/61/66/562996166.db2.gz YXUGZWMSLWNSIJ-FMIVXFBMSA-N 0 0 471.434 7.715 1 0 JKAFRN COc1cc2oc(=O)cc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)c2c(OC)c1OC ZINC000013814027 562996168 /nfs/dbraw/zinc/99/61/68/562996168.db2.gz ZCBVYHLBQMHVDW-UHFFFAOYSA-N 0 0 472.415 6.051 3 0 JKAFRN COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)c2cccnc2)CC3)c(C)c1 ZINC000013817533 562996770 /nfs/dbraw/zinc/99/67/70/562996770.db2.gz JTWZVAGPPMZZFK-GDLZYMKVSA-N 0 0 491.591 5.473 1 0 JKAFRN COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)C2CCCCC2)CC3)c(C)c1 ZINC000013817598 562996864 /nfs/dbraw/zinc/99/68/64/562996864.db2.gz PQWFHQSVVBMDSD-SSEXGKCCSA-N 0 0 496.651 6.345 1 0 JKAFRN CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)Oc2ccccc2)c1C ZINC000013820788 562997573 /nfs/dbraw/zinc/99/75/73/562997573.db2.gz PRFIJCBKPKJUGQ-WJOKGBTCSA-N 0 0 451.573 5.207 1 0 JKAFRN CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2CSc2ccccc2)c1C ZINC000013820832 562997629 /nfs/dbraw/zinc/99/76/29/562997629.db2.gz UNPUZXGPMVPVOV-SSEXGKCCSA-N 0 0 453.658 5.909 1 0 JKAFRN CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2n[nH]c(C(F)(F)F)n2)cc1 ZINC000013823649 562998015 /nfs/dbraw/zinc/99/80/15/562998015.db2.gz VLTLXZNPOXPQMO-UHFFFAOYSA-N 0 0 489.929 5.891 1 0 JKAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](COC(=O)c1cccc(F)c1)C2 ZINC000013825448 562998294 /nfs/dbraw/zinc/99/82/94/562998294.db2.gz WXBUOQLKAHEQNX-QGZVFWFLSA-N 0 0 496.556 5.097 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827559 562998590 /nfs/dbraw/zinc/99/85/90/562998590.db2.gz MRSWFEPPCGEHKT-UHFFFAOYSA-N 0 0 463.626 5.705 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1S(=O)(=O)CCCn1cnc(-c2ccccc2)c1C ZINC000013827709 562998735 /nfs/dbraw/zinc/99/87/35/562998735.db2.gz USOAJLYZUGQNCJ-UHFFFAOYSA-N 0 0 482.650 5.343 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1S(C)(=O)=O ZINC000013827653 562998758 /nfs/dbraw/zinc/99/87/58/562998758.db2.gz GBCIONOYAJVPHI-UHFFFAOYSA-N 0 0 498.649 5.043 1 0 JKAFRN CCCCc1nc2cccc(CC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828097 562998890 /nfs/dbraw/zinc/99/88/90/562998890.db2.gz UBJNXXQPJTWYNV-UHFFFAOYSA-N 0 0 494.599 5.380 1 0 JKAFRN CCCCc1nc2cccc(COC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828087 562998940 /nfs/dbraw/zinc/99/89/40/562998940.db2.gz OOTKPZWOHUCOTI-UHFFFAOYSA-N 0 0 452.562 5.421 1 0 JKAFRN CCCCc1nc2cc(C)cc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828044 562998966 /nfs/dbraw/zinc/99/89/66/562998966.db2.gz CCTCSCYEMGZZSH-UHFFFAOYSA-N 0 0 480.572 5.369 1 0 JKAFRN CC(=O)Nc1ccc(OCc2cccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)cc1 ZINC000013828633 562999018 /nfs/dbraw/zinc/99/90/18/562999018.db2.gz ABJQBZTYQAQEHL-MHZLTWQESA-N 0 0 467.525 5.584 1 0 JKAFRN CCCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000013828651 562999021 /nfs/dbraw/zinc/99/90/21/562999021.db2.gz LUUUMPKAFPXQRW-HHHXNRCGSA-N 0 0 473.573 5.599 3 0 JKAFRN CC(=O)Nc1cccc(OCc2cccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)c1 ZINC000013828637 562999029 /nfs/dbraw/zinc/99/90/29/562999029.db2.gz UFCJRNIKZUUPQK-HHHXNRCGSA-N 0 0 467.525 5.584 1 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1Oc1ccc(NC(C)=O)cc1 ZINC000013829632 562999092 /nfs/dbraw/zinc/99/90/92/562999092.db2.gz FCCIDJIVBKMEQZ-LJAQVGFWSA-N 0 0 493.563 6.213 1 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(C)(C)C)cc1COc1ccc(NC(C)=O)cc1 ZINC000013829581 562999110 /nfs/dbraw/zinc/99/91/10/562999110.db2.gz FOWAKTVGEAZLCH-MHZLTWQESA-N 0 0 487.600 5.845 1 0 JKAFRN COC(=O)c1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013829773 562999211 /nfs/dbraw/zinc/99/92/11/562999211.db2.gz DBZJHEYHUYZQMI-BFYHCKCDSA-N 0 0 481.592 6.061 1 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830300 562999213 /nfs/dbraw/zinc/99/92/13/562999213.db2.gz ZWRXWRJMTZOPCG-MPGAWZFDSA-N 0 0 466.625 6.484 1 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830482 562999230 /nfs/dbraw/zinc/99/92/30/562999230.db2.gz XKZJGHRUADKFCX-GKFGNYHGSA-N 0 0 465.593 6.621 1 0 JKAFRN CC(=O)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013830838 562999303 /nfs/dbraw/zinc/99/93/03/562999303.db2.gz LDLMUEWENFMOSI-BHCNSHPPSA-N 0 0 485.627 7.621 1 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(F)c(-c2ccc(N(C)C)cc2)c1 ZINC000013830865 562999343 /nfs/dbraw/zinc/99/93/43/562999343.db2.gz RJKKVXQMNOSNTH-VHSIEHCKSA-N 0 0 454.589 6.471 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000013833113 563000164 /nfs/dbraw/zinc/00/01/64/563000164.db2.gz IFHZALGTLOWGGG-UHFFFAOYSA-N 0 0 453.070 8.020 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000013833114 563000181 /nfs/dbraw/zinc/00/01/81/563000181.db2.gz PTGATLWXYMGNRM-UHFFFAOYSA-N 0 0 471.060 8.159 1 0 JKAFRN COc1cc(CCc2ccc(-c3cc4ccccc4c4nnc(C)n43)cc2)cc(OC)c1OC ZINC000013833382 563000476 /nfs/dbraw/zinc/00/04/76/563000476.db2.gz ALKLHNWCXXLKRQ-UHFFFAOYSA-N 0 0 453.542 5.669 1 0 JKAFRN COc1cc(CCc2ccc(C3=Cc4ccccc4C4=N[C@H](C)CN43)cc2)cc(OC)c1OC ZINC000013833376 563000507 /nfs/dbraw/zinc/00/05/07/563000507.db2.gz YTOKKSFEEDUKNC-LJQANCHMSA-N 0 0 454.570 5.460 1 0 JKAFRN CCCCCCC(CCCCCC)(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013833463 563000553 /nfs/dbraw/zinc/00/05/53/563000553.db2.gz KKSFJIPJMXAUMA-UHFFFAOYSA-N 0 0 492.792 9.934 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000013833971 563000697 /nfs/dbraw/zinc/00/06/97/563000697.db2.gz WCGVTMHGMJNURR-GOHHFNLLSA-N 0 0 469.528 5.369 1 0 JKAFRN COc1ccc(CNc2nnc(N3CCC(O)CC3)c3cc(Cl)c(Cl)cc32)cc1Cl ZINC000013834385 563000965 /nfs/dbraw/zinc/00/09/65/563000965.db2.gz VCKOZAFTMCILNQ-UHFFFAOYSA-N 0 0 467.784 5.172 1 0 JKAFRN CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1C(C)C ZINC000013861019 563002294 /nfs/dbraw/zinc/00/22/94/563002294.db2.gz IIJYSCRXMTUPAN-DHIUTWEWSA-N 0 0 475.585 5.579 1 0 JKAFRN CCOC(=O)c1c(-c2ccccc2)c(-c2ccc(F)cc2)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1C(C)C ZINC000013861023 563002376 /nfs/dbraw/zinc/00/23/76/563002376.db2.gz KPINVWVHJUHETP-DHIUTWEWSA-N 0 0 493.575 5.718 1 0 JKAFRN O=C([O-])Cc1ccc2c(c1)/C(=C\C[NH+]1CCC(Cc3ccccc3)CC1)c1ccccc1CO2 ZINC000013861365 563002465 /nfs/dbraw/zinc/00/24/65/563002465.db2.gz PPABRKQHBMJESP-VYYCAZPPSA-N 0 0 453.582 5.593 1 0 JKAFRN C[C@H](C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccc(C(=O)c2ccccc2)cc1 ZINC000013862178 563002740 /nfs/dbraw/zinc/00/27/40/563002740.db2.gz ZTMJNVOWAURVHX-KRWDZBQOSA-N 0 0 462.501 5.378 1 0 JKAFRN C[C@@H](C(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21)c1ccc(C(=O)c2ccccc2)cc1 ZINC000013862177 563002752 /nfs/dbraw/zinc/00/27/52/563002752.db2.gz ZTMJNVOWAURVHX-QGZVFWFLSA-N 0 0 462.501 5.378 1 0 JKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](c1cccc(OC(=O)N(C)C)c1)O2)C(C)=CC(C)(C)N3 ZINC000013863758 563003542 /nfs/dbraw/zinc/00/35/42/563003542.db2.gz VAGCBEBNRFICRM-HHHXNRCGSA-N 0 0 470.569 6.512 1 0 JKAFRN O=c1ncn2nc(Sc3ccc(Cl)c(Cl)c3)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864339 563003978 /nfs/dbraw/zinc/00/39/78/563003978.db2.gz TXFGEKSPLVPFLN-UHFFFAOYSA-N 0 0 469.180 6.521 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013879117 563004240 /nfs/dbraw/zinc/00/42/40/563004240.db2.gz FGEYVMWKHSUPNE-URLMMPGGSA-N 0 0 498.598 5.324 3 0 JKAFRN CCOP(=O)(OCC)C(C[C@H]1CCC[C@@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896630 563004398 /nfs/dbraw/zinc/00/43/98/563004398.db2.gz BCDMRAKUMQFMLZ-UXHICEINSA-N 0 0 474.471 6.388 1 0 JKAFRN O=C(Nc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1)c1ccccn1 ZINC000013919766 563004764 /nfs/dbraw/zinc/00/47/64/563004764.db2.gz NITSTTAMDWAHOS-MHZLTWQESA-N 0 0 488.595 5.685 1 0 JKAFRN CCC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977595 563005025 /nfs/dbraw/zinc/00/50/25/563005025.db2.gz HFNAATWAYMXXOI-LOSJGSFVSA-N 0 0 488.506 5.193 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000013979170 563005106 /nfs/dbraw/zinc/00/51/06/563005106.db2.gz YJALVPBIFAFPJV-NDEPHWFRSA-N 0 0 481.637 5.098 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000013979177 563005159 /nfs/dbraw/zinc/00/51/59/563005159.db2.gz SPDXIPYMWPIIIY-GDLZYMKVSA-N 0 0 495.664 5.440 1 0 JKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cc(F)cc4c1OCOC4)O2)C(C)=CC(C)(C)N3 ZINC000013983626 563005277 /nfs/dbraw/zinc/00/52/77/563005277.db2.gz DZIMFFBTUZITGY-KSEXSDGBSA-N 0 0 487.527 6.571 1 0 JKAFRN CC[C@@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](CC=C(C)C)C2 ZINC000014679695 563006146 /nfs/dbraw/zinc/00/61/46/563006146.db2.gz KNWRSKBHVUABNU-GEPYNVQKSA-N 0 0 482.705 8.466 1 0 JKAFRN COC(=O)c1ccc(O)c([C@H](C=C(C)C)c2c(O)c(C(=O)CCc3ccccc3)c(O)cc2OC)c1 ZINC000014657803 563006158 /nfs/dbraw/zinc/00/61/58/563006158.db2.gz UWDJCYWVPNETPR-NRFANRHFSA-N 0 0 490.552 5.512 1 0 JKAFRN O=C1O/C(=C\c2ccc(O)c(Br)c2)C(c2ccc(O)c(Br)c2)=C1Cl ZINC000014688737 563006258 /nfs/dbraw/zinc/00/62/58/563006258.db2.gz ABZNNBUYUUXCNH-NSIKDUERSA-N 0 0 472.516 5.171 1 0 JKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1OC(C)(C)C=C2 ZINC000014711733 563006281 /nfs/dbraw/zinc/00/62/81/563006281.db2.gz CVRQUKAFPCFUQW-MHZLTWQESA-N 0 0 458.598 7.300 1 0 biogenic,in-vitro JKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@](C)(OC(C)=O)C3 ZINC000014883313 563006441 /nfs/dbraw/zinc/00/64/41/563006441.db2.gz OHXYVNOGHMREQK-FFFSVGICSA-N 0 0 452.547 5.643 1 0 JKAFRN CC(C)=CCC/C(C)=C/Cc1c(O)cc2cc3c(c(O)c2c1O)C(=O)C[C@@](C)(OC(C)=O)C3 ZINC000014883314 563006462 /nfs/dbraw/zinc/00/64/62/563006462.db2.gz OHXYVNOGHMREQK-GPLAWQGUSA-N 0 0 452.547 5.643 1 0 JKAFRN COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000014945113 563006523 /nfs/dbraw/zinc/00/65/23/563006523.db2.gz AOOCVFDPBYWOCG-UHFFFAOYSA-N 0 0 485.931 6.445 1 0 JKAFRN Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1ccc3ccccc3c1)c(=O)n2C ZINC000014955692 563007490 /nfs/dbraw/zinc/00/74/90/563007490.db2.gz YROGJKAARBJJGF-LJAQVGFWSA-N 0 0 494.982 5.154 1 0 JKAFRN CCOC(=O)CN1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cccc3ccccc32)CC1 ZINC000014962018 563008476 /nfs/dbraw/zinc/00/84/76/563008476.db2.gz VELNTZUBONHZJA-UHFFFAOYSA-N 0 0 493.607 5.444 1 0 JKAFRN O=C1NCc2c(-c3ccccc3Cl)nc(N3CCOCC3)nc2N1c1c(Cl)cccc1Cl ZINC000014962974 563008552 /nfs/dbraw/zinc/00/85/52/563008552.db2.gz ANNQXHXXKQEKSO-UHFFFAOYSA-N 0 0 490.778 5.302 1 0 JKAFRN CSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000014963780 563008635 /nfs/dbraw/zinc/00/86/35/563008635.db2.gz HJPGTJZRQOHFSA-UHFFFAOYSA-N 0 0 485.845 7.076 1 0 JKAFRN CC[NH+](CC)CCC/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964846 563008845 /nfs/dbraw/zinc/00/88/45/563008845.db2.gz NMAZHERCXXOERD-MLPAPPSSSA-N 0 0 470.635 5.200 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1 ZINC000014965489 563009064 /nfs/dbraw/zinc/00/90/64/563009064.db2.gz MZWXPLVBKPHKNC-UHFFFAOYSA-N 0 0 496.321 5.362 1 0 JKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1COCCO)O2)C(C)=CC(C)(C)N3 ZINC000014968557 563009484 /nfs/dbraw/zinc/00/94/84/563009484.db2.gz CZFMLDUNXATLOW-XKZIYDEJSA-N 0 0 491.609 6.136 1 0 JKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1[C@@H](C)O)O2)C(C)=CC(C)(C)N3 ZINC000014968605 563009499 /nfs/dbraw/zinc/00/94/99/563009499.db2.gz QBUKAFSEUHGMMX-OFNOZLENSA-N 0 0 461.583 6.681 1 0 JKAFRN COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4)cc2)CC3)cc1 ZINC000014969507 563009519 /nfs/dbraw/zinc/00/95/19/563009519.db2.gz OALCVKVJNNZBEH-UHFFFAOYSA-N 0 0 470.495 5.093 1 0 JKAFRN C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 ZINC000014971614 563009806 /nfs/dbraw/zinc/00/98/06/563009806.db2.gz XJZIQBQVGOEGFT-SBUREZEXSA-N 0 0 499.030 5.939 1 0 JKAFRN C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000014971633 563009820 /nfs/dbraw/zinc/00/98/20/563009820.db2.gz FLQPTDVBDVSSED-MBSDFSHPSA-N 0 0 464.585 5.285 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(F)c(F)c3)=NN2C(=O)c2cccc(F)c2)c1OC ZINC000014972886 563009912 /nfs/dbraw/zinc/00/99/12/563009912.db2.gz ZMVRODFTWKZWCS-HSZRJFAPSA-N 0 0 458.461 5.371 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)ccc(F)c2F)c1OC ZINC000014972969 563009916 /nfs/dbraw/zinc/00/99/16/563009916.db2.gz GWQVYTYBBVOPAI-QHCPKHFHSA-N 0 0 476.451 5.510 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1 ZINC000014972937 563009947 /nfs/dbraw/zinc/00/99/47/563009947.db2.gz IJPQKGYDDLFFKO-QFIPXVFZSA-N 0 0 462.880 6.016 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(F)cc2F)c1OC ZINC000014972875 563009953 /nfs/dbraw/zinc/00/99/53/563009953.db2.gz KGAJHUFABOMAGA-QHCPKHFHSA-N 0 0 474.916 5.885 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(F)cc2F)c1OC ZINC000014972879 563009964 /nfs/dbraw/zinc/00/99/64/563009964.db2.gz KGAJHUFABOMAGA-HSZRJFAPSA-N 0 0 474.916 5.885 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC ZINC000014972822 563009971 /nfs/dbraw/zinc/00/99/71/563009971.db2.gz QFPFADQBVCQGIH-HSZRJFAPSA-N 0 0 476.451 5.510 1 0 JKAFRN CC(C)C(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)s1 ZINC000014974141 563010083 /nfs/dbraw/zinc/01/00/83/563010083.db2.gz DSLVKDCMNYUHBN-UHFFFAOYSA-N 0 0 458.465 6.159 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2c(Cl)cc(Cl)cc2Cl)c1-n1cccc1 ZINC000014975728 563010273 /nfs/dbraw/zinc/01/02/73/563010273.db2.gz DBOBFBHYPQMGLX-UHFFFAOYSA-N 0 0 452.773 5.062 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCCC2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000014975736 563010303 /nfs/dbraw/zinc/01/03/03/563010303.db2.gz LYXKAOOQSNYNDL-UHFFFAOYSA-N 0 0 479.839 6.611 1 0 JKAFRN CN(C)C(=O)c1ccc(Oc2ccc3c(c2)nccc3-c2c3n(nc2-c2ccccn2)CCC3)cc1 ZINC000014976426 563010395 /nfs/dbraw/zinc/01/03/95/563010395.db2.gz ILBLPSAZJBRIJQ-UHFFFAOYSA-N 0 0 475.552 5.601 1 0 JKAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC(C)C)c2c(=O)n(C)c1=O ZINC000014977652 563010728 /nfs/dbraw/zinc/01/07/28/563010728.db2.gz GVGNJFXUYAUJRY-UHFFFAOYSA-N 0 0 470.582 5.528 1 0 JKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2cc3ccccc3o2)cc1 ZINC000014978387 563010769 /nfs/dbraw/zinc/01/07/69/563010769.db2.gz NAGWGZLQLARBPK-UHFFFAOYSA-N 0 0 486.637 6.835 1 0 JKAFRN CCCCc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)cc1 ZINC000014978359 563010795 /nfs/dbraw/zinc/01/07/95/563010795.db2.gz XXALMGXCIVOLJY-UHFFFAOYSA-N 0 0 462.615 5.707 1 0 JKAFRN CCC/C=C(\CCC)C1=C(c2ccc(Br)cc2)[C@]2(Nc3ccccc3)CCC[C@@H]2C1 ZINC000014978521 563010827 /nfs/dbraw/zinc/01/08/27/563010827.db2.gz DRZHWPDAIXLQBC-DBRJDOIQSA-N 0 0 464.491 8.784 1 0 JKAFRN CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979759 563011069 /nfs/dbraw/zinc/01/10/69/563011069.db2.gz XACJXDNZWIICFZ-HZJYTTRNSA-N 0 0 468.682 7.956 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)Oc1ccc(F)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000014979652 563011076 /nfs/dbraw/zinc/01/10/76/563011076.db2.gz WJJPVSSPVFSXLC-UHFFFAOYSA-N 0 0 451.881 5.587 1 0 JKAFRN O=C(C1CC1)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000014986263 563011083 /nfs/dbraw/zinc/01/10/83/563011083.db2.gz JJCQDZYRXIUTKN-UHFFFAOYSA-N 0 0 470.594 5.716 1 0 JKAFRN COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000015117574 563011160 /nfs/dbraw/zinc/01/11/60/563011160.db2.gz DDLNEFCPSLEGBF-HLDFWCOBSA-N 0 0 458.639 5.598 1 0 JKAFRN O=C([C@H]1CC(=O)c2ccccc21)N1CCC(c2nc(-c3cccnc3)ncc2-c2ccccc2)CC1 ZINC000015002237 563011173 /nfs/dbraw/zinc/01/11/73/563011173.db2.gz WAHWCMHIBNLBOW-VWLOTQADSA-N 0 0 474.564 5.282 1 0 JKAFRN COc1cc2c(cc1[C@](C)(O)C[C@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151286 563011263 /nfs/dbraw/zinc/01/12/63/563011263.db2.gz MFNSSDHBXSOHSG-KUNJGFBQSA-N 0 0 450.531 5.935 1 0 JKAFRN COc1cc2c(cc1[C@@](C)(O)C[C@@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151277 563011299 /nfs/dbraw/zinc/01/12/99/563011299.db2.gz MFNSSDHBXSOHSG-RXAIFQJESA-N 0 0 450.531 5.935 1 0 JKAFRN Cc1ccc(-c2csc(N(CCO)CCCn3c4ccccc4nc3C(F)(F)F)n2)cc1 ZINC000015934847 563011868 /nfs/dbraw/zinc/01/18/68/563011868.db2.gz HWUPAXRKPCTSGW-UHFFFAOYSA-N 0 0 460.525 5.376 3 0 JKAFRN C[C@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936701 563012220 /nfs/dbraw/zinc/01/22/20/563012220.db2.gz RZVBWGUYOWOQNK-DNRBGDKYSA-N 0 0 489.369 5.524 3 0 JKAFRN CCCn1c2ccccc2nc1[C@H](CO)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000015937210 563012268 /nfs/dbraw/zinc/01/22/68/563012268.db2.gz OPLHGVIROYJWBI-KRWDZBQOSA-N 0 0 457.397 5.478 3 0 JKAFRN C[NH+](C)CCCC(=O)Nc1cc(C(=O)[O-])cc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc32)c1 ZINC000016051799 563012952 /nfs/dbraw/zinc/01/29/52/563012952.db2.gz QHYSKDAWIUFROA-UHFFFAOYSA-N 0 0 491.979 5.605 1 0 in-vitro JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000016569242 563013131 /nfs/dbraw/zinc/01/31/31/563013131.db2.gz PFRUPSJJDUUELI-GDLZYMKVSA-N 0 0 485.628 5.741 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)CC(C)C ZINC000016569250 563013141 /nfs/dbraw/zinc/01/31/41/563013141.db2.gz KQQYVYXVARSUGV-GDLZYMKVSA-N 0 0 473.617 5.597 1 0 JKAFRN CCc1nc2ccc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2nc1CC ZINC000016695605 563013252 /nfs/dbraw/zinc/01/32/52/563013252.db2.gz FXQGEWPXVPRRPF-UHFFFAOYSA-N 0 0 478.902 5.138 3 0 JKAFRN COc1ccc(N2C(=O)[C@H]3[C@@H](c4[nH]c5ccccc5c4[C@@H]4CCCCCCCCC[C@@H]34)C2=O)cc1 ZINC000016958510 563013377 /nfs/dbraw/zinc/01/33/77/563013377.db2.gz NXBKXOJXZYWTER-VLHNATBGSA-N 0 0 470.613 6.688 1 0 JKAFRN Cn1cc2ccccc2c1-c1nc(F)nc(Oc2ccc3c(c2)CC[C@H]2[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)n1 ZINC000017216504 563013873 /nfs/dbraw/zinc/01/38/73/563013873.db2.gz YDSBSDBHGZWKKQ-OLFUKKQXSA-N 0 0 498.602 6.179 1 0 JKAFRN COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000017783816 563014329 /nfs/dbraw/zinc/01/43/29/563014329.db2.gz NTRWYAFEAWTYFN-CUTYOFPGSA-N 0 0 456.586 6.009 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018023729 563014356 /nfs/dbraw/zinc/01/43/56/563014356.db2.gz ZZQBCHQXCYNDJC-FNZWTVRRSA-N 0 0 458.533 5.005 3 0 JKAFRN Cc1ccc(NC(=O)c2sc(Nc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c2N)cc1 ZINC000018023396 563014363 /nfs/dbraw/zinc/01/43/63/563014363.db2.gz MQMUQMLSIZCXMX-QFIPXVFZSA-N 0 0 476.989 5.684 1 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)CC(C)(C)C)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018043709 563014460 /nfs/dbraw/zinc/01/44/60/563014460.db2.gz HSRYTIWOSLJGJD-YADARESESA-N 0 0 452.570 5.127 3 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018113267 563014575 /nfs/dbraw/zinc/01/45/75/563014575.db2.gz ZZQBCHQXCYNDJC-RXFWQSSRSA-N 0 0 458.533 5.005 3 0 JKAFRN CCCCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018130137 563014577 /nfs/dbraw/zinc/01/45/77/563014577.db2.gz CZRPLMPHCZQXTH-RUZDIDTESA-N 0 0 452.570 5.273 3 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)C3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018211883 563014596 /nfs/dbraw/zinc/01/45/96/563014596.db2.gz FGEYVMWKHSUPNE-VMPREFPWSA-N 0 0 498.598 5.324 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018210749 563014668 /nfs/dbraw/zinc/01/46/68/563014668.db2.gz AHOMMEPHJNIADT-SANMLTNESA-N 0 0 474.532 5.113 3 0 JKAFRN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019770249 563015132 /nfs/dbraw/zinc/01/51/32/563015132.db2.gz WRVWMYCOZDLSHX-ZBLYBZFDSA-N 0 0 475.585 6.105 1 0 JKAFRN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450567 563016112 /nfs/dbraw/zinc/01/61/12/563016112.db2.gz GRGGIYDUJRKSKM-SFTDATJTSA-N 0 0 466.676 5.559 1 0 JKAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1c1cccs1 ZINC000020507994 563016232 /nfs/dbraw/zinc/01/62/32/563016232.db2.gz LLNUOJJEYOIBRY-LEWJYISDSA-N 0 0 458.942 5.106 1 0 JKAFRN CCc1ccc(NC(=O)N(CCCN2CCOCC2)[C@@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000020730482 563016326 /nfs/dbraw/zinc/01/63/26/563016326.db2.gz IZKPTYUIGUTLGA-FQEVSTJZSA-N 0 0 465.594 5.321 3 0 JKAFRN O[C@@H](COc1cccc2ncccc21)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022934408 563018802 /nfs/dbraw/zinc/01/88/02/563018802.db2.gz WGNDBFMIYKCGFI-VAVYLYDRSA-N 0 0 488.031 5.035 1 0 JKAFRN Fc1ccc(C(OCCN2CCN(Cc3cnc4ccccc4c3)CC2)c2ccc(F)cc2)cc1 ZINC000022938652 563019209 /nfs/dbraw/zinc/01/92/09/563019209.db2.gz XBTOAXDXEWFSSU-UHFFFAOYSA-N 0 0 473.567 5.437 1 0 JKAFRN O=c1[nH]c2ccccc2n1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cc(Cl)ccc32)CC1 ZINC000022940787 563019762 /nfs/dbraw/zinc/01/97/62/563019762.db2.gz WKQANGSPADPBMJ-WNCULLNHSA-N 0 0 491.010 5.017 1 0 JKAFRN FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 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CN(C)c1cccc(-n2c(CCc3c[nH]c4cc(Br)ccc34)nc3ccccc3c2=O)c1 ZINC000025995648 563021185 /nfs/dbraw/zinc/02/11/85/563021185.db2.gz LPUNVSVIBABPEI-UHFFFAOYSA-N 0 0 487.401 5.481 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2cccc3ccccc32)n1 ZINC000026005569 563021444 /nfs/dbraw/zinc/02/14/44/563021444.db2.gz RNYRELOSPWKPKZ-UHFFFAOYSA-N 0 0 460.419 7.649 1 0 JKAFRN CC[C@@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1OCC(=O)N(C)C)c1ccccc1 ZINC000026005115 563021480 /nfs/dbraw/zinc/02/14/80/563021480.db2.gz YZQVQAWUROJSSE-HSZRJFAPSA-N 0 0 467.569 5.250 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2c(C)cc(C)cc2C)n1 ZINC000026006042 563021516 /nfs/dbraw/zinc/02/15/16/563021516.db2.gz WHWJEXRXSIILEZ-UHFFFAOYSA-N 0 0 452.440 7.421 1 0 JKAFRN O[C@@](Cn1cncn1)(c1ccc(Cl)cc1Cl)[C@](O)(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000026011507 563021720 /nfs/dbraw/zinc/02/17/20/563021720.db2.gz LJMUGOJBMYQCLJ-ZEQRLZLVSA-N 0 0 488.802 5.257 1 0 JKAFRN CC/C(=C(\c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1)c1ccc(OC(C)=O)cc1 ZINC000026014790 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CCCn1cc(-c2ccc(Cl)cc2Cl)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028467267 563065007 /nfs/dbraw/zinc/06/50/07/563065007.db2.gz DSDNTRYDVLPPQS-HSZRJFAPSA-N 0 0 479.238 8.013 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(SC)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028466496 563065073 /nfs/dbraw/zinc/06/50/73/563065073.db2.gz FSZOTYYSBDOMCQ-DEDYPNTBSA-N 0 0 499.676 7.375 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3F)cc2)C(=O)NC(C)C)c1 ZINC000028470553 563065353 /nfs/dbraw/zinc/06/53/53/563065353.db2.gz UFPGLMGCSPXADG-YTEMWHBBSA-N 0 0 472.560 6.307 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(Cl)c3)cc2)C(=O)NC(C)C)c1 ZINC000028470457 563065366 /nfs/dbraw/zinc/06/53/66/563065366.db2.gz SLGUAIKFXOGAQV-NTCAYCPXSA-N 0 0 462.977 6.318 1 0 JKAFRN Cn1cc(-c2ccc(Cl)cc2Cl)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028472010 563065530 /nfs/dbraw/zinc/06/55/30/563065530.db2.gz WSUYIJLFIMCFOX-NRFANRHFSA-N 0 0 451.184 7.140 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)C(=O)c2ccccc2)c1 ZINC000028473288 563065611 /nfs/dbraw/zinc/06/56/11/563065611.db2.gz GCQJJNXIVAQXHG-LKRWSQIDSA-N 0 0 497.591 6.075 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)N(C)C)cc2)C(=O)C2CCCCC2)c1 ZINC000028473553 563065711 /nfs/dbraw/zinc/06/57/11/563065711.db2.gz NSULPZJDAKINJX-YWNVXTCZSA-N 0 0 474.601 5.088 1 0 JKAFRN O=C(Nc1ccc(Cl)nc1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000028474883 563065840 /nfs/dbraw/zinc/06/58/40/563065840.db2.gz KQBWZSYRVZDHDZ-RUZDIDTESA-N 0 0 483.955 5.733 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)C(C)C)c1 ZINC000028475839 563065863 /nfs/dbraw/zinc/06/58/63/563065863.db2.gz FGCOPZHACKMLEJ-NTEUORMPSA-N 0 0 465.952 6.522 1 0 JKAFRN COC(=O)C=Cc1cccc(N(Cc2ccc(-c3cccc(C(C)=O)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028475892 563065865 /nfs/dbraw/zinc/06/58/65/563065865.db2.gz DCFINZUHDRFDRF-KNTRCKAVSA-N 0 0 495.619 6.856 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000028475619 563065896 /nfs/dbraw/zinc/06/58/96/563065896.db2.gz CFAWKYSLNUSDHM-JZLCUUEVSA-N 0 0 458.598 7.964 1 0 JKAFRN CC(C)[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028477022 563066047 /nfs/dbraw/zinc/06/60/47/563066047.db2.gz LSPLBDLWYHLUIS-QFIPXVFZSA-N 0 0 478.036 6.775 1 0 JKAFRN CC(C)(C)CC(=O)Nc1ccc2c(cc(-c3nc(-c4ccccc4)no3)n2Cc2ccccc2F)c1 ZINC000028522728 563066615 /nfs/dbraw/zinc/06/66/15/563066615.db2.gz MNLRJHZEOCBDLW-UHFFFAOYSA-N 0 0 482.559 6.920 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCC3)c1 ZINC000028522864 563066617 /nfs/dbraw/zinc/06/66/17/563066617.db2.gz ZBIPNXHCIBNIDS-AMGIVPHBSA-N 0 0 486.660 5.528 1 0 JKAFRN COc1ccc(NC(=O)NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCN(c3ccccc3)CC2)cc1 ZINC000028522961 563066737 /nfs/dbraw/zinc/06/67/37/563066737.db2.gz ZRACCWSAWFMMSZ-RUZDIDTESA-N 0 0 498.549 5.399 1 0 JKAFRN CC(C)(C)CC(=O)Nc1ccc2c(c1)c(C(=O)Nc1ccccc1)cn2Cc1ccccc1F ZINC000028523170 563066804 /nfs/dbraw/zinc/06/68/04/563066804.db2.gz 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451.654 6.819 1 0 JKAFRN CC(C)(C)Oc1ccc([C@@H]2[C@@H](CC[C@@H](O)c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000028526019 563067867 /nfs/dbraw/zinc/06/78/67/563067867.db2.gz NDKJIRKBZYNSFO-TWJOJJKGSA-N 0 0 465.540 6.360 1 0 JKAFRN CCC(CC)(c1ccc(NC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 ZINC000028528052 563068172 /nfs/dbraw/zinc/06/81/72/563068172.db2.gz YUHGPRDTZYLKEH-HSZRJFAPSA-N 0 0 455.639 5.169 1 0 JKAFRN COc1ccc(-c2nnc(C34CCC(c5nc(-c6ccc(F)cc6)no5)(CC3)CC4)n2C)c(Cl)c1 ZINC000028529223 563068425 /nfs/dbraw/zinc/06/84/25/563068425.db2.gz BUJHRGYKELNZBE-UHFFFAOYSA-N 0 0 493.970 5.877 1 0 JKAFRN CC(=O)N1CC[C@@H](C)c2cc(Cl)cc(CCN3CCN(c4nsc5ccccc54)CC3)c21 ZINC000028528987 563068441 /nfs/dbraw/zinc/06/84/41/563068441.db2.gz GFDDZADQGGCPPA-QGZVFWFLSA-N 0 0 469.054 5.175 1 0 JKAFRN O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@H]1[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000028530306 563068662 /nfs/dbraw/zinc/06/86/62/563068662.db2.gz KNHHBLCEYWSMTG-JIVDAIDCSA-N 0 0 490.603 5.083 1 0 JKAFRN 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/nfs/dbraw/zinc/06/93/89/563069389.db2.gz CKWOMEXKAGKGCM-UHFFFAOYSA-N 0 0 491.719 6.278 1 0 JKAFRN CC(=O)c1c(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n(C)c1=O ZINC000028569473 563070464 /nfs/dbraw/zinc/07/04/64/563070464.db2.gz PCAFDAFQSCZHCE-UHFFFAOYSA-N 0 0 472.759 6.013 1 0 JKAFRN O=C1NC(=S)SC1=Cc1ccc2[nH]c(-c3cccc(-c4ccc(Cl)c(Cl)c4)n3)nc2c1 ZINC000028570254 563070681 /nfs/dbraw/zinc/07/06/81/563070681.db2.gz NAZMFMNJGANGHD-OCKHKDLRSA-N 0 0 483.405 6.928 1 0 JKAFRN CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1-c1ccccc1 ZINC000028571092 563071031 /nfs/dbraw/zinc/07/10/31/563071031.db2.gz RSLCAMXZLJMHNX-UHFFFAOYSA-N 0 0 465.437 7.332 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(NC(=O)c5ccccc5)ccc4n3)[C@H]12 ZINC000028571577 563071063 /nfs/dbraw/zinc/07/10/63/563071063.db2.gz WBKOLIBQUNCXHM-QKSZKGCUSA-N 0 0 480.608 6.504 1 0 JKAFRN O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCC[C@H]1[C@@H](O)CCc1cccc(OC(F)(F)F)c1 ZINC000028571963 563071136 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480.542 7.381 1 0 JKAFRN CCCCOP(=O)(OCCCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccccc1F ZINC000028572473 563071386 /nfs/dbraw/zinc/07/13/86/563071386.db2.gz VDGLZUCHIHENKM-JOCHJYFZSA-N 0 0 480.542 7.381 1 0 JKAFRN Cc1ccccc1N1CCN(C[C@@H](O)COc2ccc(Cl)cc2C(=O)CCc2ccccc2)CC1 ZINC000028604363 563071508 /nfs/dbraw/zinc/07/15/08/563071508.db2.gz VAKXBTPVRFKFJG-RUZDIDTESA-N 0 0 493.047 5.026 1 0 JKAFRN Oc1ccc(-c2nc(-c3ccc(O)cc3Cl)n(-c3ccc(O)cc3)c2-c2ccccc2)cc1 ZINC000028604304 563071586 /nfs/dbraw/zinc/07/15/86/563071586.db2.gz QIZGJFXZAFYLQP-UHFFFAOYSA-N 0 0 454.913 6.644 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12 ZINC000028604524 563071646 /nfs/dbraw/zinc/07/16/46/563071646.db2.gz OEIIDMHWRGYSKC-RRVPNGAVSA-N 0 0 457.948 6.664 1 0 JKAFRN Cc1ccccc1-c1ncnc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028649408 563073654 /nfs/dbraw/zinc/07/36/54/563073654.db2.gz QRAPMUPRYKKCHS-UHFFFAOYSA-N 0 0 495.423 5.915 1 0 JKAFRN O=C(CN1C(=O)SC(=Cc2sc(Cl)nc2Cl)C1=O)c1ccc(Br)cc1 ZINC000028650498 563073822 /nfs/dbraw/zinc/07/38/22/563073822.db2.gz VJFIQKCYMIGONH-WZUFQYTHSA-N 0 0 478.176 5.132 1 0 JKAFRN CC(C)c1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 ZINC000028702535 563074620 /nfs/dbraw/zinc/07/46/20/563074620.db2.gz DDVOZILSPMPULY-SFTDATJTSA-N 0 0 472.416 6.003 1 0 JKAFRN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1 ZINC000028702508 563074629 /nfs/dbraw/zinc/07/46/29/563074629.db2.gz AQLBSQIWQHCSHE-GOTSBHOMSA-N 0 0 464.352 5.234 1 0 JKAFRN Oc1ccc(-c2nc3c(NC4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000028703232 563074839 /nfs/dbraw/zinc/07/48/39/563074839.db2.gz VAWWTVSHFJTEMP-UHFFFAOYSA-N 0 0 454.578 5.873 1 0 JKAFRN Fc1ccc(-c2nc3ccc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000028703263 563074894 /nfs/dbraw/zinc/07/48/94/563074894.db2.gz QDFWKBAGOVAQKX-UHFFFAOYSA-N 0 0 452.331 5.714 1 0 JKAFRN COC1(c2cc(F)cc(OCCc3cn(Cc4ccccc4)c4ccccc34)c2)CCOCC1 ZINC000028704797 563075208 /nfs/dbraw/zinc/07/52/08/563075208.db2.gz WVDSMBSLMXBFTB-UHFFFAOYSA-N 0 0 459.561 6.102 1 0 JKAFRN Cc1ccc(NC(=O)c2ccc(N)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028704701 563075239 /nfs/dbraw/zinc/07/52/39/563075239.db2.gz SAWAYEJQVOZQER-UHFFFAOYSA-N 0 0 464.451 5.444 1 0 JKAFRN Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(N)cc1)CCN(C1CCCCC1)C2=O ZINC000028706505 563075455 /nfs/dbraw/zinc/07/54/55/563075455.db2.gz XSKFVPLIBOJZFT-UHFFFAOYSA-N 0 0 468.428 6.673 1 0 JKAFRN Cc1cc(Nc2ncnc3cnc(N(C)C)cc32)ccc1Oc1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000028706422 563075473 /nfs/dbraw/zinc/07/54/73/563075473.db2.gz NZSOECPTESNCTF-UHFFFAOYSA-N 0 0 484.604 5.711 1 0 JKAFRN Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(C1CCCCC1)C2=O ZINC000028706478 563075481 /nfs/dbraw/zinc/07/54/81/563075481.db2.gz HRKDPMVQKIZXSS-UHFFFAOYSA-N 0 0 487.858 7.744 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(OC4CCN(C(=O)CC(C)(C)C)CC4)c(C)c3)c2cc1OC ZINC000028706360 563075500 /nfs/dbraw/zinc/07/55/00/563075500.db2.gz OMZZFURLONVTAA-UHFFFAOYSA-N 0 0 492.620 5.505 1 0 JKAFRN Cc1c2c(n(-c3ccccc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O ZINC000028706558 563075564 /nfs/dbraw/zinc/07/55/64/563075564.db2.gz DMDOZZUSVYPIOR-UHFFFAOYSA-N 0 0 454.401 6.159 1 0 JKAFRN Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc3c(c1)OCO3)CCN(C1CCCCC1)C2=O ZINC000028706519 563075566 /nfs/dbraw/zinc/07/55/66/563075566.db2.gz SKMWEGKIKIGBSE-UHFFFAOYSA-N 0 0 497.422 6.819 1 0 JKAFRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028711360 563076394 /nfs/dbraw/zinc/07/63/94/563076394.db2.gz KGBNWZKPVRGBBX-ZBVAKXHMSA-N 0 0 496.820 9.274 1 0 JKAFRN COC(=O)CCC/C=C(/c1cc2c(OC)noc2c(C)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000028711649 563076579 /nfs/dbraw/zinc/07/65/79/563076579.db2.gz CHCMWDPILYOZGF-OCKHKDLRSA-N 0 0 467.518 5.023 1 0 JKAFRN Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1 ZINC000028711910 563076670 /nfs/dbraw/zinc/07/66/70/563076670.db2.gz PIWBCKRDJBKBEL-UHFFFAOYSA-N 0 0 484.648 6.639 1 0 JKAFRN O=c1c2ccccc2nc(C=Cc2ccccc2)n1Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000028713123 563077269 /nfs/dbraw/zinc/07/72/69/563077269.db2.gz VXCZFVNWMJXAEX-VXPUYCOJSA-N 0 0 467.532 6.052 1 0 JKAFRN CCOC(=O)C(=CNc1cc(Br)c(OC)c(Br)c1)c1ccc(OC)cc1 ZINC000028714121 563077559 /nfs/dbraw/zinc/07/75/59/563077559.db2.gz CLZXVKCYQUKDGF-RVDMUPIBSA-N 0 0 485.172 5.245 1 0 JKAFRN CCCCc1nc2ccc(CC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028756571 563077769 /nfs/dbraw/zinc/07/77/69/563077769.db2.gz OGFQJHZHNXUXHD-UHFFFAOYSA-N 0 0 464.573 5.197 1 0 JKAFRN CCCCc1nc2cc(Cl)ccc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028756954 563077857 /nfs/dbraw/zinc/07/78/57/563077857.db2.gz QJFFTLVBAUWXGE-UHFFFAOYSA-N 0 0 470.964 5.288 1 0 JKAFRN CCCc1c2c(cc(CCCOc3ccc(C4N=NN=N4)cc3)c1O)O[C@H](CCc1ccccc1)C2 ZINC000028760645 563078208 /nfs/dbraw/zinc/07/82/08/563078208.db2.gz ZMNAIRSRLDYDKY-XMMPIXPASA-N 0 0 484.600 7.124 1 0 JKAFRN Brc1ccc2[nH]cc([C@H]3Nc4c(I)cccc4[C@H]4OCC[C@H]43)c2c1 ZINC000028760518 563078227 /nfs/dbraw/zinc/07/82/27/563078227.db2.gz MNDIQYJINXNGLL-OYYNGEPBSA-N 0 0 495.158 5.779 1 0 JKAFRN CCOC(=O)c1csc(Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)n1 ZINC000028762102 563078301 /nfs/dbraw/zinc/07/83/01/563078301.db2.gz KZQURWFUXQRXKJ-UHFFFAOYSA-N 0 0 468.962 5.524 1 0 JKAFRN NC(=O)NC[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000028764964 563078536 /nfs/dbraw/zinc/07/85/36/563078536.db2.gz GTYZTMYLHNWKSE-LSTHTHJFSA-N 0 0 474.445 5.862 1 0 JKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@]23[C@@H]1C(=O)O[C@H]2c1ccccc1[C@@H]3O ZINC000028765260 563078582 /nfs/dbraw/zinc/07/85/82/563078582.db2.gz SJCQIKMJLOJSKF-DAESNONBSA-N 0 0 496.346 5.020 1 0 JKAFRN CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000028766079 563078690 /nfs/dbraw/zinc/07/86/90/563078690.db2.gz QRGPLXYTLKVBPK-FVDSYPCUSA-N 0 0 458.510 5.832 1 0 JKAFRN O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1)N1CCN(c2ccccn2)CC1 ZINC000028768365 563079009 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0 0 458.565 5.645 1 0 JKAFRN O=C(NCc1ccccc1)c1ccc([C@@H]2c3[nH]cnc3CCN2Cc2cccc(Cl)c2)cc1 ZINC000028820392 563080685 /nfs/dbraw/zinc/08/06/85/563080685.db2.gz UVVQIXMRMAMSGI-AREMUKBSSA-N 0 0 456.977 5.141 1 0 JKAFRN Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Nc1ccccc1 ZINC000028821682 563080699 /nfs/dbraw/zinc/08/06/99/563080699.db2.gz LMYSABYGJNIOLU-UHFFFAOYSA-N 0 0 452.602 6.908 1 0 JKAFRN FC(F)(F)c1ccc2c(c1)N(CCCNc1cccc(Oc3ccccc3)c1)c1ccccc1S2 ZINC000028821656 563080734 /nfs/dbraw/zinc/08/07/34/563080734.db2.gz ZICGEEUAKCXGKD-UHFFFAOYSA-N 0 0 492.566 8.603 1 0 JKAFRN O=C1NC(=S)SC1=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccco1 ZINC000028822833 563081270 /nfs/dbraw/zinc/08/12/70/563081270.db2.gz QOMBLUTXKHNIKS-ZROIWOOFSA-N 0 0 467.519 6.106 1 0 JKAFRN O=C1NC(=S)SC1=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1SCc1cccs1 ZINC000028822830 563081297 /nfs/dbraw/zinc/08/12/97/563081297.db2.gz DXIVTMMSXYUHFB-ZHZULCJRSA-N 0 0 491.688 7.222 1 0 JKAFRN CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1 ZINC000028822763 563081327 /nfs/dbraw/zinc/08/13/27/563081327.db2.gz RRSGDPMETGVLHG-UHFFFAOYSA-N 0 0 453.542 5.206 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028822966 563081455 /nfs/dbraw/zinc/08/14/55/563081455.db2.gz ODJWHQQYADUVIQ-HSZRJFAPSA-N 0 0 488.609 5.537 1 0 JKAFRN O=C(OCc1ccccc1)N1CCC(c2nccn2Cc2ccccc2)(c2ccccc2)CC1 ZINC000028822965 563081483 /nfs/dbraw/zinc/08/14/83/563081483.db2.gz BCRXLZJWBFEGPG-UHFFFAOYSA-N 0 0 451.570 5.650 1 0 JKAFRN Cc1cc(C)c(C(=O)N2CCC(c3nccn3Cc3ccccc3)(c3ccccc3)CC2)c(C)c1 ZINC000028822925 563081486 /nfs/dbraw/zinc/08/14/86/563081486.db2.gz KDRSVMMLANQJKX-UHFFFAOYSA-N 0 0 463.625 6.079 1 0 JKAFRN O=C1OC[C@H]2[C@@H]1Cc1c(Cl)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000028823193 563081521 /nfs/dbraw/zinc/08/15/21/563081521.db2.gz NDEUAIZNHGVTBW-AEXASODUSA-N 0 0 469.890 6.563 1 0 JKAFRN Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccccc3F)o2)c2cccc(Cl)c2C)cc1 ZINC000028823358 563081632 /nfs/dbraw/zinc/08/16/32/563081632.db2.gz TZGGIHWWAHKEJY-UHFFFAOYSA-N 0 0 485.968 5.465 1 0 JKAFRN Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3cccc(F)c3)o2)c2cccc(Cl)c2C)cc1 ZINC000028823360 563081646 /nfs/dbraw/zinc/08/16/46/563081646.db2.gz QXRARIRQRSPIRP-UHFFFAOYSA-N 0 0 485.968 5.465 1 0 JKAFRN C[S@](=O)c1ccc(-c2nc(-c3ccc4cc(Br)ccc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000028823970 563081701 /nfs/dbraw/zinc/08/17/01/563081701.db2.gz ACSVHPYVIIJDNC-WJOKGBTCSA-N 0 0 488.410 6.459 1 0 JKAFRN COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S@](C)=O)cc4)n3C)ccc2c1 ZINC000028823769 563081710 /nfs/dbraw/zinc/08/17/10/563081710.db2.gz GVSGFNAEUPRUIM-MGBGTMOVSA-N 0 0 453.567 5.715 1 0 JKAFRN COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S@](C)=O)cc4C)n3C)ccc2c1 ZINC000028823773 563081736 /nfs/dbraw/zinc/08/17/36/563081736.db2.gz BARYYLFEOIUPEY-UUWRZZSWSA-N 0 0 467.594 6.024 1 0 JKAFRN C[C@H](NCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824124 563081810 /nfs/dbraw/zinc/08/18/10/563081810.db2.gz HKGFIJWTQBGSPO-IBGZPJMESA-N 0 0 492.023 5.066 1 0 JKAFRN COC(=O)[C@@]1(C)C(=O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]21 ZINC000028824970 563082048 /nfs/dbraw/zinc/08/20/48/563082048.db2.gz DWWPSRGTSZHWME-CTKYBBTESA-N 0 0 468.722 7.386 1 0 JKAFRN O[C@@](Cc1ccnc2ccccc12)(C[C@@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826177 563082340 /nfs/dbraw/zinc/08/23/40/563082340.db2.gz QBWZUFGGKZCAOK-SXOMAYOGSA-N 0 0 453.548 6.925 1 0 JKAFRN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000028826709 563082525 /nfs/dbraw/zinc/08/25/25/563082525.db2.gz SCYVOHCPYWNUPP-UHFFFAOYSA-N 0 0 456.464 6.346 1 0 JKAFRN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000028826708 563082540 /nfs/dbraw/zinc/08/25/40/563082540.db2.gz DDFRLGVWGVFCBF-UHFFFAOYSA-N 0 0 470.447 5.986 1 0 JKAFRN CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)OC)s1 ZINC000028827357 563082999 /nfs/dbraw/zinc/08/29/99/563082999.db2.gz QPNXNWQEJMCDFF-JXFKEZNVSA-N 0 0 495.636 5.586 1 0 JKAFRN Cc1cccc(-c2cccc(CN(C[C@H](O)C(F)(F)F)c3cccc(Oc4ccccc4)c3)c2)n1 ZINC000028862720 563083276 /nfs/dbraw/zinc/08/32/76/563083276.db2.gz QMNGYTXVNLGOMP-MHZLTWQESA-N 0 0 478.514 6.779 1 0 JKAFRN CCCC[C@@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000028862784 563083308 /nfs/dbraw/zinc/08/33/08/563083308.db2.gz IJUIYWLDJJQNFM-JOCHJYFZSA-N 0 0 459.508 6.935 1 0 JKAFRN COc1ccc(CCCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862839 563083355 /nfs/dbraw/zinc/08/33/55/563083355.db2.gz BVOQLCJSRMHJQY-AWEZNQCLSA-N 0 0 463.430 6.270 1 0 JKAFRN COc1ccc(COCCSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863010 563083446 /nfs/dbraw/zinc/08/34/46/563083446.db2.gz YEPKQWDTDDIEQL-UHFFFAOYSA-N 0 0 465.402 5.293 1 0 JKAFRN CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000028863531 563083510 /nfs/dbraw/zinc/08/35/10/563083510.db2.gz VLPHPFZZYFANBN-UHFFFAOYSA-N 0 0 458.672 6.436 1 0 JKAFRN C[C@]12CC3CC(NC(=O)c4cn(CCCc5ccccc5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000028864382 563083516 /nfs/dbraw/zinc/08/35/16/563083516.db2.gz ARHNEGMIXHNISU-SONGYOSSSA-N 0 0 468.641 6.113 1 0 JKAFRN O=C(NCc1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1)Nc1ncc(Sc2ccccn2)s1 ZINC000028864104 563083518 /nfs/dbraw/zinc/08/35/18/563083518.db2.gz ISAYNGLSLJAWMI-UHFFFAOYSA-N 0 0 477.402 5.708 1 0 JKAFRN CCCCCn1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Cl)cc21 ZINC000028864613 563083604 /nfs/dbraw/zinc/08/36/04/563083604.db2.gz OYXNQWCRVZYCTK-IHAPDJFTSA-N 0 0 455.042 6.180 1 0 JKAFRN CCCCCc1ccc([C@H]2CC(C(=O)NN3CCOCC3)=NN2c2ccc(Cl)cc2Cl)cc1 ZINC000028866898 563083798 /nfs/dbraw/zinc/08/37/98/563083798.db2.gz LRVAPBRDYRSPFQ-XMMPIXPASA-N 0 0 489.447 5.397 1 0 JKAFRN COc1ccc(-c2c3ccc(OC)c(C)c3oc(=O)c2NC(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000028868768 563083906 /nfs/dbraw/zinc/08/39/06/563083906.db2.gz RVELCBAYPCAHKQ-UHFFFAOYSA-N 0 0 499.563 6.142 1 0 JKAFRN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12 ZINC000028899816 563085983 /nfs/dbraw/zinc/08/59/83/563085983.db2.gz HTEMUDPCVAMLEB-UHFFFAOYSA-N 0 0 498.631 5.409 1 0 JKAFRN Brc1ccc2nc(NCCNc3nc4ccc(Br)cc4s3)sc2c1 ZINC000028903325 563086406 /nfs/dbraw/zinc/08/64/06/563086406.db2.gz YJLWBISVESKCKH-UHFFFAOYSA-N 0 0 484.242 5.955 1 0 JKAFRN COc1cc(/C=C/c2cc(Br)cc(/C=C/c3ccc(O)c(OC)c3)c2)ccc1O ZINC000028949062 563086715 /nfs/dbraw/zinc/08/67/15/563086715.db2.gz ZXNKBMDOBKYLBS-GGWOSOGESA-N 0 0 453.332 6.218 1 0 JKAFRN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[N@H+](CCc2ccccc2)CC(=O)[O-])c1 ZINC000028949099 563086722 /nfs/dbraw/zinc/08/67/22/563086722.db2.gz HIVZYXZNRQARJZ-UHFFFAOYSA-N 0 0 470.569 5.401 1 0 JKAFRN CCN(Cc1cc(Cl)ccc1NC(=O)c1ccccn1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000028948937 563086746 /nfs/dbraw/zinc/08/67/46/563086746.db2.gz JZKUQLOOJQQEOC-UHFFFAOYSA-N 0 0 462.764 5.956 1 0 JKAFRN O=S(=O)(N[C@H]1Cc2ccc(-c3cc4ccccc4n3Cc3ccccc3)cc2C1)c1ccccc1 ZINC000028949542 563086801 /nfs/dbraw/zinc/08/68/01/563086801.db2.gz XIZDVLOROQMCPV-MHZLTWQESA-N 0 0 478.617 5.802 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2F)C3)cc2ccccc21 ZINC000028949664 563086835 /nfs/dbraw/zinc/08/68/35/563086835.db2.gz QKNPSJWHUYDMPZ-JOCHJYFZSA-N 0 0 470.544 6.128 1 0 JKAFRN CC(C)(C)CC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949522 563086846 /nfs/dbraw/zinc/08/68/46/563086846.db2.gz HMFYVUXCNMFRMS-XMMPIXPASA-N 0 0 486.637 5.830 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H](NC(=O)Nc2ccccc2)C3)cc2ccccc21 ZINC000028949679 563086918 /nfs/dbraw/zinc/08/69/18/563086918.db2.gz VWKOKWYNWNUAPJ-DEOSSOPVSA-N 0 0 467.569 6.380 1 0 JKAFRN COC(=O)c1ccc(OC(=O)/C=C/c2ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c2)c(OC)c1 ZINC000028951179 563087085 /nfs/dbraw/zinc/08/70/85/563087085.db2.gz RUEQQOJZNUJGEN-BAWSUDPCSA-N 0 0 494.584 6.181 1 0 JKAFRN COc1ccc(COP(=O)(Cc2cccc3ccccc32)OCc2ccc(OC)cc2)cc1 ZINC000028950490 563087113 /nfs/dbraw/zinc/08/71/13/563087113.db2.gz JFLYDSZGJAJAMS-UHFFFAOYSA-N 0 0 462.482 6.984 1 0 JKAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952659 563087672 /nfs/dbraw/zinc/08/76/72/563087672.db2.gz LPXOUFHVYNPPSB-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cccnn2)cc1 ZINC000028952799 563087741 /nfs/dbraw/zinc/08/77/41/563087741.db2.gz KNJGLDCDRLQILE-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1ncc(-c2ccc(F)c(C(F)(F)F)c2)s1)c1ccc(Nc2ccncn2)cc1 ZINC000028953150 563087830 /nfs/dbraw/zinc/08/78/30/563087830.db2.gz AUWGQQMMXDGRMZ-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN Cc1sc(NC(=O)c2ccc(Nc3ccncn3)cc2)nc1-c1cccc(C(F)(F)F)c1F ZINC000028952860 563087845 /nfs/dbraw/zinc/08/78/45/563087845.db2.gz KDWKMXBHMXCWJS-UHFFFAOYSA-N 0 0 473.455 6.062 1 0 JKAFRN Cc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1 ZINC000028952830 563087852 /nfs/dbraw/zinc/08/78/52/563087852.db2.gz QVHFGIIUSKUDFI-UHFFFAOYSA-N 0 0 473.455 6.062 1 0 JKAFRN O=C(Nc1nc2c(s1)CCOc1c-2cccc1C(F)(F)F)c1ccc(Nc2ccncn2)cc1 ZINC000028952870 563087853 /nfs/dbraw/zinc/08/78/53/563087853.db2.gz KCOHHLPXBXNCIJ-UHFFFAOYSA-N 0 0 483.475 5.550 1 0 JKAFRN O=C(Nc1nc2c(s1)COc1c-2cccc1C(F)(F)F)c1ccc(Nc2ccncn2)cc1 ZINC000028952868 563087858 /nfs/dbraw/zinc/08/78/58/563087858.db2.gz LJBURNJKOOYGMR-UHFFFAOYSA-N 0 0 469.448 5.507 1 0 JKAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2ccncn2)cc1 ZINC000028953161 563087859 /nfs/dbraw/zinc/08/78/59/563087859.db2.gz OWHWRNAZIBYKFI-UHFFFAOYSA-N 0 0 460.416 5.149 1 0 JKAFRN COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954148 563088094 /nfs/dbraw/zinc/08/80/94/563088094.db2.gz HSCFMXLBZAVZRS-SVBPBHIXSA-N 0 0 495.572 5.520 1 0 JKAFRN Cc1[nH]c(N2CCN(c3ncccc3C(F)(F)F)CC2)nc1-c1ccc(C(F)(F)F)cc1 ZINC000028953851 563088129 /nfs/dbraw/zinc/08/81/29/563088129.db2.gz IUPFDVMGTMCZRO-UHFFFAOYSA-N 0 0 455.406 5.144 1 0 JKAFRN C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C ZINC000028954906 563088166 /nfs/dbraw/zinc/08/81/66/563088166.db2.gz QVAJVVLNYGAVHR-QLAZATLASA-N 0 0 470.657 6.743 1 0 JKAFRN C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(F)c3)C[C@@]12C ZINC000028954913 563088211 /nfs/dbraw/zinc/08/82/11/563088211.db2.gz ZPVXFZZEEBNOSH-YVAAILABSA-N 0 0 475.604 6.825 1 0 JKAFRN C=C1OC(CC)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C ZINC000028954897 563088213 /nfs/dbraw/zinc/08/82/13/563088213.db2.gz WIUDNDXMQHQJIL-QLAZATLASA-N 0 0 469.625 6.880 1 0 JKAFRN CCCCCO[C@@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955739 563088272 /nfs/dbraw/zinc/08/82/72/563088272.db2.gz VXHYHENWEWGZBF-GDLZYMKVSA-N 0 0 453.582 6.643 1 0 JKAFRN O=C1NCCCC[C@H]1N(CCCCCCCCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957784 563088492 /nfs/dbraw/zinc/08/84/92/563088492.db2.gz WNMIMIGHEUFPEA-RUZDIDTESA-N 0 0 491.097 5.583 1 0 JKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3ccc(O)cc31)[C@H]2Cc1ccccc1 ZINC000028958974 563088630 /nfs/dbraw/zinc/08/86/30/563088630.db2.gz VQQLTXOELCKOQJ-XCZPVHLTSA-N 0 0 452.554 6.017 1 0 JKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3ccc(O)cc31)[C@H]2Cc1ccccc1 ZINC000028958983 563088637 /nfs/dbraw/zinc/08/86/37/563088637.db2.gz VQQLTXOELCKOQJ-XTEPFMGCSA-N 0 0 452.554 6.017 1 0 JKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1cccc(Cl)c1 ZINC000028959467 563088801 /nfs/dbraw/zinc/08/88/01/563088801.db2.gz YXOZWAFCDLJIBZ-XNMGPUDCSA-N 0 0 471.988 6.360 1 0 JKAFRN Cc1nn(-c2ccc3onc(N)c3c2)c2c1ccc(-c1ccc(N3CCCCC3=O)cc1F)c2F ZINC000028964200 563089327 /nfs/dbraw/zinc/08/93/27/563089327.db2.gz SWOFOUGTEKMASG-UHFFFAOYSA-N 0 0 473.483 5.519 1 0 JKAFRN O=C(c1ccc(C2CCCCC2)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000029038131 563090672 /nfs/dbraw/zinc/09/06/72/563090672.db2.gz CSJKUOSSKDIIJJ-OFNKIYASSA-N 0 0 458.668 5.171 1 0 JKAFRN CN(C)c1cc(Cl)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn21 ZINC000029040008 563091288 /nfs/dbraw/zinc/09/12/88/563091288.db2.gz SGOLKTRJQVHEEV-UHFFFAOYSA-N 0 0 450.949 5.671 1 0 JKAFRN C[C@H](OC(=O)Nc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c5ccccc5[nH]c4c21)CNC3=O ZINC000029043357 563092002 /nfs/dbraw/zinc/09/20/02/563092002.db2.gz BHLDSZDBKQRXCQ-HJPURHCSSA-N 0 0 473.532 6.314 1 0 JKAFRN Cc1cc(NC(=O)C(F)(F)c2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043705 563092054 /nfs/dbraw/zinc/09/20/54/563092054.db2.gz PIIWIGJYDSQYFB-UHFFFAOYSA-N 0 0 481.930 6.203 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C(C)(C)CO)cc2)n(-c2ccccc2Cl)n1 ZINC000029044274 563092205 /nfs/dbraw/zinc/09/22/05/563092205.db2.gz QIZLSZKZSXFDSA-UHFFFAOYSA-N 0 0 490.991 6.540 1 0 JKAFRN CC1=C(/C=C/C2=Cc3ncnc(N)c3[C@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000029045717 563092329 /nfs/dbraw/zinc/09/23/29/563092329.db2.gz KDDXHZGOQPGOOM-SBHHKVCRSA-N 0 0 457.706 8.269 1 0 JKAFRN CC(C)c1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC000029045870 563092415 /nfs/dbraw/zinc/09/24/15/563092415.db2.gz FECWLONQLNLRBM-UHFFFAOYSA-N 0 0 496.489 7.331 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2F)n1 ZINC000029046014 563092416 /nfs/dbraw/zinc/09/24/16/563092416.db2.gz WTYJFJSIUDSYRK-UHFFFAOYSA-N 0 0 486.425 6.655 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000029046008 563092429 /nfs/dbraw/zinc/09/24/29/563092429.db2.gz NEACKVWUVKVBMA-UHFFFAOYSA-N 0 0 481.478 6.593 1 0 JKAFRN Cc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000029046270 563092435 /nfs/dbraw/zinc/09/24/35/563092435.db2.gz OUBANJCHOQDKJG-UHFFFAOYSA-N 0 0 462.937 5.065 1 0 JKAFRN CCOc1ccc(Cc2nc3cc([S@@](=O)CC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046815 563092523 /nfs/dbraw/zinc/09/25/23/563092523.db2.gz DBLVNUCAEWMJDP-WJOKGBTCSA-N 0 0 459.055 6.387 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1 ZINC000029046540 563092525 /nfs/dbraw/zinc/09/25/25/563092525.db2.gz HLKAGEVBJQDRJP-UHFFFAOYSA-N 0 0 479.323 5.044 1 0 JKAFRN Fc1ccc(CSc2nc3cc(F)c(N4CCN(Cc5ccccc5)CC4)cc3[nH]2)cc1 ZINC000029048690 563092687 /nfs/dbraw/zinc/09/26/87/563092687.db2.gz IIXOKRLJQOTZKF-UHFFFAOYSA-N 0 0 450.558 5.456 1 0 JKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3o2)cc1 ZINC000029048344 563092704 /nfs/dbraw/zinc/09/27/04/563092704.db2.gz LZWGDCHIGSRFHE-UHFFFAOYSA-N 0 0 494.391 6.858 1 0 JKAFRN COc1cc2c(cc1OCCCn1c3ccccc3nc1-c1ccco1)N=C[C@@H]1CCCN1C2=O ZINC000029050746 563092964 /nfs/dbraw/zinc/09/29/64/563092964.db2.gz SULRUAWZXXTIJW-SFHVURJKSA-N 0 0 470.529 5.095 1 0 JKAFRN COc1cc2c(cc1OCCCCn1c3ccccc3nc1-c1ccco1)N=C[C@@H]1CCCN1C2=O ZINC000029052420 563093052 /nfs/dbraw/zinc/09/30/52/563093052.db2.gz CWIVNLMEBUUILY-IBGZPJMESA-N 0 0 484.556 5.485 1 0 JKAFRN COc1ccc(OC)c(Nc2nc(-c3sc(NC(=O)c4ccc(Cl)cc4)nc3C)cs2)c1 ZINC000029051562 563093142 /nfs/dbraw/zinc/09/31/42/563093142.db2.gz NFXFFYRHWBKSCZ-UHFFFAOYSA-N 0 0 487.006 6.242 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3cccc4ccccc43)cc(OC)c21 ZINC000029053425 563093261 /nfs/dbraw/zinc/09/32/61/563093261.db2.gz OZUHXJWRMSTYIM-PMERELPUSA-N 0 0 458.605 7.968 1 0 JKAFRN CO[C@H]1CCCN1C(=O)c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2 ZINC000029053886 563093293 /nfs/dbraw/zinc/09/32/93/563093293.db2.gz ULTYHMCGKWGORH-QHCPKHFHSA-N 0 0 491.412 5.263 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C(C)=O)c1cccc2ccccc21 ZINC000029053433 563093299 /nfs/dbraw/zinc/09/32/99/563093299.db2.gz OUEVRLOQDLFPIU-GDLZYMKVSA-N 0 0 478.636 7.466 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2ccc(Cl)cc2C1 ZINC000029054377 563093356 /nfs/dbraw/zinc/09/33/56/563093356.db2.gz RRAIGQLMINVACN-AREMUKBSSA-N 0 0 461.049 6.971 1 0 JKAFRN O=C(c1cc2c(cc1F)O[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCCCC1 ZINC000029054434 563093368 /nfs/dbraw/zinc/09/33/68/563093368.db2.gz ZYJFHTSOOUFNFJ-VWLOTQADSA-N 0 0 490.333 6.570 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2cccc(C(=O)OC)c2C1 ZINC000029054037 563093402 /nfs/dbraw/zinc/09/34/02/563093402.db2.gz AFRYVACYSKMULR-MHZLTWQESA-N 0 0 484.640 6.104 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2c(cccc2C(F)(F)F)C1 ZINC000029054546 563093438 /nfs/dbraw/zinc/09/34/38/563093438.db2.gz UDTAEZDALNOXEQ-SANMLTNESA-N 0 0 494.601 7.337 1 0 JKAFRN O=C(c1ccc2c(c1)O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1 ZINC000029055026 563093456 /nfs/dbraw/zinc/09/34/56/563093456.db2.gz GNUDAIROHJOQGV-XMMPIXPASA-N 0 0 474.315 5.277 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(CC)c1cccc2c1CCCC2 ZINC000029054534 563093486 /nfs/dbraw/zinc/09/34/86/563093486.db2.gz MYJZNRQXRONPBE-LJAQVGFWSA-N 0 0 468.685 7.665 1 0 JKAFRN CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4c3C[C@@H](C(C)(C)C)CC4)cn2)cc1 ZINC000029054652 563093494 /nfs/dbraw/zinc/09/34/94/563093494.db2.gz DOPHIHNKZIAKJQ-IBGZPJMESA-N 0 0 478.593 5.278 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCC[C@H]2N(CC)c1cccc2ccccc21 ZINC000029055074 563093501 /nfs/dbraw/zinc/09/35/01/563093501.db2.gz ILSLWVXGACTXAA-GDLZYMKVSA-N 0 0 469.072 8.584 1 0 JKAFRN O=c1c2c(nc3n(-c4ccccc4)nc(-c4ccccc4)n31)nc1c(c2-c2ccccc2)CCCC1 ZINC000029058395 563093759 /nfs/dbraw/zinc/09/37/59/563093759.db2.gz MKXGRPZBTNTHMQ-UHFFFAOYSA-N 0 0 469.548 5.641 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccccn4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029060386 563093811 /nfs/dbraw/zinc/09/38/11/563093811.db2.gz VUXKBIPTULITAP-JGASHGPKSA-N 0 0 491.675 7.489 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC ZINC000029123991 563094349 /nfs/dbraw/zinc/09/43/49/563094349.db2.gz DNLCCAYVZKRIEN-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN CCOC(=O)c1[nH]c(C(=O)c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 ZINC000029124538 563094410 /nfs/dbraw/zinc/09/44/10/563094410.db2.gz LJZPOXXZXCDHCI-UHFFFAOYSA-N 0 0 485.536 5.782 1 0 JKAFRN Cc1c(-c2nnnn2C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124853 563094512 /nfs/dbraw/zinc/09/45/12/563094512.db2.gz JIPUQDWOVQCVFF-UHFFFAOYSA-N 0 0 461.784 6.216 1 0 JKAFRN Cc1c(-c2nnn(Cc3ccccc3)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029125263 563094581 /nfs/dbraw/zinc/09/45/81/563094581.db2.gz CRNHVPYTWDKECW-UHFFFAOYSA-N 0 0 495.801 6.510 1 0 JKAFRN Cc1c(-c2nnn(C3CCCCC3)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029125230 563094598 /nfs/dbraw/zinc/09/45/98/563094598.db2.gz TZQJBFDOEVIOKD-UHFFFAOYSA-N 0 0 487.822 6.967 1 0 JKAFRN CCCCCn1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)n1 ZINC000029125310 563094613 /nfs/dbraw/zinc/09/46/13/563094613.db2.gz DTNGNVXRSXPUGC-UHFFFAOYSA-N 0 0 475.811 6.652 1 0 JKAFRN COc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)[C@H](OC)C2 ZINC000029125711 563094882 /nfs/dbraw/zinc/09/48/82/563094882.db2.gz YTKQFUWXIAQGMU-OAQYLSRUSA-N 0 0 462.760 6.558 1 0 JKAFRN CC(C)n1c2ccc(C(=O)c3cccs3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000029125971 563094982 /nfs/dbraw/zinc/09/49/82/563094982.db2.gz WLOVTHFKGZKSJV-UHFFFAOYSA-N 0 0 480.593 5.410 1 0 JKAFRN Cn1c(-c2ccc(OC(F)F)cc2)nnc1C12CCC(c3nc(-c4ccc(F)cc4)no3)(CC1)CC2 ZINC000029126539 563095271 /nfs/dbraw/zinc/09/52/71/563095271.db2.gz XGJVPMFKZYENRO-UHFFFAOYSA-N 0 0 495.505 5.816 1 0 JKAFRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C)C2)cc1 ZINC000029127592 563095747 /nfs/dbraw/zinc/09/57/47/563095747.db2.gz OIKFLZJCOASDMC-HHHXNRCGSA-N 0 0 479.621 5.349 1 0 JKAFRN O=C(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(Cc2ccc(F)cc2)C1 ZINC000029127855 563095936 /nfs/dbraw/zinc/09/59/36/563095936.db2.gz XJMNPICMVHZPRP-SSEXGKCCSA-N 0 0 481.546 5.865 1 0 JKAFRN Fc1ccc(C[C@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(c2ccccc2)C3)cc1 ZINC000029128159 563096030 /nfs/dbraw/zinc/09/60/30/563096030.db2.gz KHCJTDGBXVYTEN-GDLZYMKVSA-N 0 0 453.536 6.229 1 0 JKAFRN CCC(O)(CC)CCCCCS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128641 563096376 /nfs/dbraw/zinc/09/63/76/563096376.db2.gz WPGNCRRPHJBMEM-WDJSNNRJSA-N 0 0 490.794 7.115 1 0 JKAFRN CCC(O)(CC)CCCCS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128691 563096406 /nfs/dbraw/zinc/09/64/06/563096406.db2.gz RAKMQFMHPYWQMO-CPVUGPMESA-N 0 0 476.767 6.725 1 0 JKAFRN CC(C)Cn1cnc2ccc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccc(F)cc3F)nc21 ZINC000029130339 563096964 /nfs/dbraw/zinc/09/69/64/563096964.db2.gz KSVRKVBBTRXFHK-UHFFFAOYSA-N 0 0 498.364 7.396 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 ZINC000029131707 563097203 /nfs/dbraw/zinc/09/72/03/563097203.db2.gz VVJWECBYOVJRAZ-MHZLTWQESA-N 0 0 459.586 5.629 1 0 JKAFRN C[C@@H](O[C@H]1[C@H]2COC(=O)N2C[C@@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029131984 563097205 /nfs/dbraw/zinc/09/72/05/563097205.db2.gz FJLCUOVCNWYREI-HAFFEQERSA-N 0 0 459.386 5.789 1 0 JKAFRN CC(C)Cc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000029131778 563097237 /nfs/dbraw/zinc/09/72/37/563097237.db2.gz LHLAOTASUXNYJL-SANMLTNESA-N 0 0 451.994 5.769 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2nc(NCc3ccc4ccccc4c3)cc(C(F)(F)F)n2)cc1 ZINC000029132046 563097281 /nfs/dbraw/zinc/09/72/81/563097281.db2.gz DANDLPFZAMNFGZ-UHFFFAOYSA-N 0 0 457.477 5.331 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2nc(NCc3cc4ccccc4s3)cc(C(F)(F)F)n2)cc1 ZINC000029132212 563097310 /nfs/dbraw/zinc/09/73/10/563097310.db2.gz DLWFZKKISURUAX-UHFFFAOYSA-N 0 0 463.506 5.393 1 0 JKAFRN CC(=O)c1cccc(-c2sc(N)c(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)c1 ZINC000029132813 563097460 /nfs/dbraw/zinc/09/74/60/563097460.db2.gz LIUBNAHONMKGTL-UHFFFAOYSA-N 0 0 465.496 7.117 1 0 JKAFRN C[C@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc42)O[C@H](c2ccccc2)C=C3)O1 ZINC000029133088 563097573 /nfs/dbraw/zinc/09/75/73/563097573.db2.gz PKSSEKONZVRQSR-UGSOOPFHSA-N 0 0 456.416 5.789 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4ccccc4F)c3)c2cc1OC ZINC000029134312 563097745 /nfs/dbraw/zinc/09/77/45/563097745.db2.gz JPSMNCZZPFLYHU-UHFFFAOYSA-N 0 0 468.484 6.589 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4ccc(F)cc4)c3)c2cc1OC ZINC000029134223 563097752 /nfs/dbraw/zinc/09/77/52/563097752.db2.gz ZNCWTNYRBDMTLK-UHFFFAOYSA-N 0 0 468.484 6.589 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4cccc(F)c4)c3)c2cc1OC ZINC000029134310 563097776 /nfs/dbraw/zinc/09/77/76/563097776.db2.gz SUHHULWGFDPFCX-UHFFFAOYSA-N 0 0 468.484 6.589 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3Cl)c2cc1OC ZINC000029134423 563097856 /nfs/dbraw/zinc/09/78/56/563097856.db2.gz ZDNWBLXKFNBSDR-UHFFFAOYSA-N 0 0 491.931 6.129 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cccc(C)c3)c2cc1OC ZINC000029134477 563097920 /nfs/dbraw/zinc/09/79/20/563097920.db2.gz OQKMFDJSKWESCR-UHFFFAOYSA-N 0 0 471.513 5.784 1 0 JKAFRN O=C([O-])c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCCC5)cc4)cc3)o2)n1 ZINC000029136016 563098127 /nfs/dbraw/zinc/09/81/27/563098127.db2.gz VRDFKKZXXNERMV-UHFFFAOYSA-N 0 0 481.552 5.513 1 0 JKAFRN c1ccc(COC[C@@H](OCc2ccccc2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000029202906 563098203 /nfs/dbraw/zinc/09/82/03/563098203.db2.gz XBQYCDNCWQKKRO-JGCGQSQUSA-N 0 0 475.588 7.289 1 0 JKAFRN COc1cc(-c2c(=O)[nH]nc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000029210316 563098486 /nfs/dbraw/zinc/09/84/86/563098486.db2.gz MIJKTBXROAKCAQ-UHFFFAOYSA-N 0 0 483.351 6.104 1 0 JKAFRN O=C(Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2)c1ccc(F)c(C(F)(F)F)c1 ZINC000029213147 563098582 /nfs/dbraw/zinc/09/85/82/563098582.db2.gz KLWMTJKJYGWFHG-UHFFFAOYSA-N 0 0 465.450 6.208 1 0 JKAFRN CC(=O)c1c(=O)n(CCOC(=O)C(C)(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029224838 563098952 /nfs/dbraw/zinc/09/89/52/563098952.db2.gz WXNMQJYKGMKDME-UHFFFAOYSA-N 0 0 487.383 5.676 1 0 JKAFRN CC[C@H](OC(=O)C(C)(C)C)c1nc2c(cccc2C(F)(F)F)c(O)c1C(=O)Nc1nccs1 ZINC000029232151 563099136 /nfs/dbraw/zinc/09/91/36/563099136.db2.gz SEHRHBLJNSKXNJ-ZDUSSCGKSA-N 0 0 481.496 5.708 1 0 JKAFRN C[C@@](/C=C/CCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000029249767 563099564 /nfs/dbraw/zinc/09/95/64/563099564.db2.gz IKKQWXRIVFOFKI-JEVHWXFOSA-N 0 0 482.668 7.209 1 0 JKAFRN CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000029307873 563099737 /nfs/dbraw/zinc/09/97/37/563099737.db2.gz OBLUBNPCKLHODP-FYZBYTHHSA-N 0 0 492.729 6.533 1 0 JKAFRN CN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029310301 563099792 /nfs/dbraw/zinc/09/97/92/563099792.db2.gz RVZRZUSSPMQRHN-JUWAVELFSA-N 0 0 488.453 5.195 1 0 JKAFRN COc1ccc([C@H]2CC[C@@H](OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029313104 563099911 /nfs/dbraw/zinc/09/99/11/563099911.db2.gz MVRRGYZBJXBPFE-NAKRPHOHSA-N 0 0 458.558 5.805 1 0 JKAFRN O=C1O[C@H](OP(=O)(Cc2cccc3ccccc32)O[C@H]2OC(=O)c3ccccc32)c2ccccc21 ZINC000029316753 563099992 /nfs/dbraw/zinc/09/99/92/563099992.db2.gz ODFNRLQZAYJJAZ-KAYWLYCHSA-N 0 0 486.416 6.305 1 0 JKAFRN O=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000029339657 563100938 /nfs/dbraw/zinc/10/09/38/563100938.db2.gz HRUXUGMUUKKNBF-UHFFFAOYSA-N 0 0 451.410 6.215 1 0 JKAFRN Cc1ccc(Cn2c(SCc3ccccc3)nc3c2nc(C(F)(F)F)nc3N(C)C)cc1 ZINC000029340639 563100969 /nfs/dbraw/zinc/10/09/69/563100969.db2.gz FXTZLTCBFFVSEK-UHFFFAOYSA-N 0 0 457.525 5.560 1 0 JKAFRN CCOC(=O)C1=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN2[C@H]1c1ccccc1OC ZINC000029341596 563101047 /nfs/dbraw/zinc/10/10/47/563101047.db2.gz FBASMBMCSXJNML-NRFANRHFSA-N 0 0 475.397 6.297 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389321 563101501 /nfs/dbraw/zinc/10/15/01/563101501.db2.gz MGMFJYCNNUVIPK-MHZLTWQESA-N 0 0 463.499 7.076 1 0 JKAFRN O[C@H](CN(Cc1cccc(-c2cccnc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389020 563101531 /nfs/dbraw/zinc/10/15/31/563101531.db2.gz LBLCHOZXIUXGRU-AREMUKBSSA-N 0 0 464.487 6.471 1 0 JKAFRN O[C@@H](CN(Cc1ccc(F)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389930 563101614 /nfs/dbraw/zinc/10/16/14/563101614.db2.gz MXKLZWSZBAYRSH-VWLOTQADSA-N 0 0 471.450 6.808 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2ccccn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389924 563101616 /nfs/dbraw/zinc/10/16/16/563101616.db2.gz FHKWSMWOPWMKAH-SANMLTNESA-N 0 0 464.487 6.471 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2ncccn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029391978 563101783 /nfs/dbraw/zinc/10/17/83/563101783.db2.gz NDUFBAFKYUNQEQ-DEOSSOPVSA-N 0 0 465.475 5.866 1 0 JKAFRN O[C@H](CN(Cc1cccc(-c2ncccn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029391981 563101785 /nfs/dbraw/zinc/10/17/85/563101785.db2.gz NDUFBAFKYUNQEQ-XMMPIXPASA-N 0 0 465.475 5.866 1 0 JKAFRN Cn1cccc1-c1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000029392958 563101840 /nfs/dbraw/zinc/10/18/40/563101840.db2.gz QPJIMIBFHORPSY-AREMUKBSSA-N 0 0 466.503 6.414 1 0 JKAFRN Cc1cccnc1-c1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000029394194 563101915 /nfs/dbraw/zinc/10/19/15/563101915.db2.gz FVIPCGHOGIOBRD-SANMLTNESA-N 0 0 478.514 6.779 1 0 JKAFRN CC[C@H](c1ccc(O)cc1)[C@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393703 563101929 /nfs/dbraw/zinc/10/19/29/563101929.db2.gz ZDDVUULBGVFVMC-SHQCIBLASA-N 0 0 489.637 6.185 1 0 JKAFRN CC[C@@H](c1ccc(O)cc1)[C@@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393700 563101963 /nfs/dbraw/zinc/10/19/63/563101963.db2.gz ZDDVUULBGVFVMC-IGKIAQTJSA-N 0 0 489.637 6.185 1 0 JKAFRN CC[C@@H](c1ccc(O)cc1)[C@H](CSCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029393706 563102006 /nfs/dbraw/zinc/10/20/06/563102006.db2.gz ZDDVUULBGVFVMC-RPLLCQBOSA-N 0 0 489.637 6.185 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029395445 563102116 /nfs/dbraw/zinc/10/21/16/563102116.db2.gz IUHOHDJSCNYKAW-VWLOTQADSA-N 0 0 453.460 6.669 1 0 JKAFRN CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1 ZINC000029396883 563102253 /nfs/dbraw/zinc/10/22/53/563102253.db2.gz YCYMNUSUSOQRGH-DHIUTWEWSA-N 0 0 472.585 5.596 1 0 JKAFRN CC[C@@H](c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1)[C@H](CC)c1ccc(O)cc1 ZINC000029401639 563102568 /nfs/dbraw/zinc/10/25/68/563102568.db2.gz SKYPQIFZXAVWSC-RPWUZVMVSA-N 0 0 457.570 6.014 1 0 JKAFRN C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCCC(C)C)c2ccc(cc2[C@@H](C)O)C[C@@](C)(O)CC1 ZINC000029403784 563102656 /nfs/dbraw/zinc/10/26/56/563102656.db2.gz VBUXMTFVEUFNRT-HLCDFLHKSA-N 0 0 468.766 8.516 1 0 JKAFRN CCCCCCN(CCCCCSc1nc2ccccc2s1)C(=O)Nc1ccc(F)cc1F ZINC000029417165 563103810 /nfs/dbraw/zinc/10/38/10/563103810.db2.gz HDJAQQYGAQVFAQ-UHFFFAOYSA-N 0 0 491.673 7.951 1 0 JKAFRN N=c1sc(-c2cccc(Br)n2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029462840 563103917 /nfs/dbraw/zinc/10/39/17/563103917.db2.gz LYIRZKKBODBNHS-UHFFFAOYSA-N 0 0 470.101 5.563 1 0 JKAFRN N=c1sc(-c2ncc(C(F)(F)F)cc2Cl)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029464131 563103942 /nfs/dbraw/zinc/10/39/42/563103942.db2.gz NTIDYEDPHJZVDL-UHFFFAOYSA-N 0 0 493.647 6.473 1 0 JKAFRN CC(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 ZINC000029466691 563104242 /nfs/dbraw/zinc/10/42/42/563104242.db2.gz WJWKOXCUZAJSPX-UHFFFAOYSA-N 0 0 459.586 5.311 1 0 JKAFRN N=c1sc(-c2cncc(C(F)(F)F)c2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029467916 563104317 /nfs/dbraw/zinc/10/43/17/563104317.db2.gz HJMNYYOQQYLIPF-UHFFFAOYSA-N 0 0 459.202 5.820 1 0 JKAFRN N=c1sc(-c2ccccc2OC(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000029471248 563104653 /nfs/dbraw/zinc/10/46/53/563104653.db2.gz CUCKUVIRVWXSSG-UHFFFAOYSA-N 0 0 474.213 6.304 1 0 JKAFRN CCCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000029474007 563104836 /nfs/dbraw/zinc/10/48/36/563104836.db2.gz BURPAPJDVNVWKB-UHFFFAOYSA-N 0 0 468.833 6.995 1 0 JKAFRN NC(=[NH2+])c1ccc2[nH]c(-c3cc(Br)cc(CCC(=O)[O-])c3)c(Cc3ccccc3)c2c1 ZINC000029477056 563104921 /nfs/dbraw/zinc/10/49/21/563104921.db2.gz SECCHPILFCHUBZ-UHFFFAOYSA-N 0 0 476.374 5.489 1 0 JKAFRN COc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000029484536 563105500 /nfs/dbraw/zinc/10/55/00/563105500.db2.gz PSJXTUCCJLEFFC-NCZOVAKNSA-N 0 0 456.586 5.614 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1c(Cl)cccc1Cl ZINC000029485054 563105577 /nfs/dbraw/zinc/10/55/77/563105577.db2.gz SWMQMMKSNGBXQC-UHFFFAOYSA-N 0 0 481.427 8.223 1 0 JKAFRN O=C(/C=C/C=C(c1cccc(Cl)c1)c1cccc(Cl)c1)NCCCCc1cccnc1 ZINC000029487448 563105677 /nfs/dbraw/zinc/10/56/77/563105677.db2.gz DFLJFWPHOWAYHJ-LHHJGKSTSA-N 0 0 451.397 6.515 1 0 JKAFRN CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000029487786 563105688 /nfs/dbraw/zinc/10/56/88/563105688.db2.gz UABXQCCWRDSYTF-UHFFFAOYSA-N 0 0 488.396 5.703 1 0 JKAFRN Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000029549484 563106192 /nfs/dbraw/zinc/10/61/92/563106192.db2.gz DIPUNHGWTPKOQD-NDENLUEZSA-N 0 0 486.471 5.808 1 0 JKAFRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(C)c(OC)c(OC)cc5[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000029555938 563106629 /nfs/dbraw/zinc/10/66/29/563106629.db2.gz ASNHSXGXXHTYNY-JSJVQHDDSA-N 0 0 494.716 7.338 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(N)=O)CC[C@]23C)C1(C)C ZINC000029556937 563106759 /nfs/dbraw/zinc/10/67/59/563106759.db2.gz UESYPXGUVWNYRJ-DFHVBEEKSA-N 0 0 497.764 7.205 1 0 JKAFRN CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C=C(C#Cc5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000029563763 563107197 /nfs/dbraw/zinc/10/71/97/563107197.db2.gz OUQHNPFUSCQION-WGVQWOBJSA-N 0 0 455.686 7.068 1 0 JKAFRN Cc1cc(-c2cc(-c3ccccc3)cc(N(CCc3ccccc3)Cc3ccccc3)n2)ccc1O ZINC000029565601 563107377 /nfs/dbraw/zinc/10/73/77/563107377.db2.gz NNSHOBXASKSVQK-UHFFFAOYSA-N 0 0 470.616 7.679 1 0 JKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@H]3c3ccoc3)[C@]12C ZINC000031495483 563108088 /nfs/dbraw/zinc/10/80/88/563108088.db2.gz KWAMDQVQFVBEAU-HMWIRDDCSA-N 0 0 450.575 5.418 1 0 in-vitro JKAFRN O=C(NC(=O)c1c(F)cccc1F)Nc1ccc([S@@](=O)C(F)(F)C(F)F)c(Cl)c1Cl ZINC000031500320 563108279 /nfs/dbraw/zinc/10/82/79/563108279.db2.gz NIXWGEFOIOOZOK-PMERELPUSA-N 0 0 493.212 5.199 1 0 JKAFRN C[C@](C(=O)OCc1ccccc1)(c1ccco1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000031870815 563108676 /nfs/dbraw/zinc/10/86/76/563108676.db2.gz MMAQOLXIJOLRGN-IWVFXYMLSA-N 0 0 467.521 6.173 1 0 JKAFRN Cc1ccc(OC[C@@H]2O[C@H](n3cnc4c3nc(Cl)nc4Cl)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000031871768 563108758 /nfs/dbraw/zinc/10/87/58/563108758.db2.gz JVLGVUZJCTTXPR-UFYCRDLUSA-N 0 0 485.371 5.564 1 0 JKAFRN CCCCn1c(C)c(C(=O)OCC)sc1=NNc1nc2ccccc2nc1-c1ccccc1 ZINC000031905008 563108985 /nfs/dbraw/zinc/10/89/85/563108985.db2.gz FOEADSFSQFHANK-XLVZBRSZSA-N 0 0 461.591 5.373 1 0 JKAFRN O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000031905578 563109062 /nfs/dbraw/zinc/10/90/62/563109062.db2.gz YHRAIIZUKUEQNN-QFIPXVFZSA-N 0 0 498.168 6.535 1 0 JKAFRN CCOC(=O)c1c(C)n(Cc2ccc(Cl)cc2Cl)c2c1cc(O)c1[nH]c3c(c12)CCCC3 ZINC000031909700 563109150 /nfs/dbraw/zinc/10/91/50/563109150.db2.gz LOIJSVXBDXEENQ-UHFFFAOYSA-N 0 0 471.384 6.547 1 0 JKAFRN CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]4(C)CC[C@H]4C(C)(C)[C@H](O)CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000032052764 563109420 /nfs/dbraw/zinc/10/94/20/563109420.db2.gz VQUPEZXRIUOIJE-XDPQSBAJSA-N 0 0 454.695 6.684 1 0 in-vitro JKAFRN C[C@H](C/C=C/C(C)(C)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000032296532 563109679 /nfs/dbraw/zinc/10/96/79/563109679.db2.gz OYVJTMFTUKBWID-LKJGIETFSA-N 0 0 456.711 6.485 1 0 JKAFRN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000033363661 563110495 /nfs/dbraw/zinc/11/04/95/563110495.db2.gz TXWWUPZFSFCKAH-JOPQPDRSSA-N 0 0 498.648 6.160 1 0 JKAFRN Cc1cc(C(=O)N[C@@H](c2ccccc2)[C@]2(C)C[C@H]2[C@@H](C)C(=O)Nc2ccc3ccccc3c2)n(C)n1 ZINC000033363659 563110496 /nfs/dbraw/zinc/11/04/96/563110496.db2.gz XFQNPVRVZXSQSI-DUFMJAFSSA-N 0 0 480.612 5.654 1 0 JKAFRN C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1ccncc1Cl)c1ccccc1 ZINC000033363670 563110525 /nfs/dbraw/zinc/11/05/25/563110525.db2.gz RBLSPJIITGPIBA-MRHDKWQNSA-N 0 0 498.026 6.660 1 0 JKAFRN Clc1ccc([C@@H](CCCOc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493848 563110609 /nfs/dbraw/zinc/11/06/09/563110609.db2.gz MMOITJLYHZUBJE-HNNXBMFYSA-N 0 0 454.195 6.595 1 0 JKAFRN CCC(=O)C(CCCCCOc1ccc(OCCCCC(C(=O)CC)C(=O)CC)cc1)=C(O)CC ZINC000033494082 563110638 /nfs/dbraw/zinc/11/06/38/563110638.db2.gz PEAPPZPJJKFQTF-UHFFFAOYSA-N 0 0 488.665 6.324 1 0 JKAFRN Cc1ccc(NC(=O)[C@@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731730 563110776 /nfs/dbraw/zinc/11/07/76/563110776.db2.gz IJBOIWPERSANEG-LSYYVWMOSA-N 0 0 490.644 6.635 1 0 JKAFRN Cc1ccc(NC(=O)[C@H]2CS[C@@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731731 563110777 /nfs/dbraw/zinc/11/07/77/563110777.db2.gz IJBOIWPERSANEG-NAKRPHOHSA-N 0 0 490.644 6.635 1 0 JKAFRN Cc1ccc(NC(=O)[C@@H]2CS[C@H](c3cccc(F)c3)N2C(=O)c2ccc(C(C)(C)C)cc2)cc1C ZINC000033731728 563110801 /nfs/dbraw/zinc/11/08/01/563110801.db2.gz IJBOIWPERSANEG-LBNVMWSVSA-N 0 0 490.644 6.635 1 0 JKAFRN CCCCCN(C(=O)c1ccc(C)cc1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccccc1CC ZINC000033784823 563110859 /nfs/dbraw/zinc/11/08/59/563110859.db2.gz WYLZQXXFMDVIOH-QHCPKHFHSA-N 0 0 481.640 6.650 1 0 JKAFRN CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4Nc5c(cnn5-c5ccccc5)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000033849434 563111146 /nfs/dbraw/zinc/11/11/46/563111146.db2.gz NVMSFEPHYDXOFV-OAEVMLAMSA-N 0 0 487.776 8.530 1 0 JKAFRN CCC[C@H](N[S@@](=O)c1ccc(C)cc1)C(C(=O)OCC)=C(c1ccccc1)c1ccccc1 ZINC000033917441 563111225 /nfs/dbraw/zinc/11/12/25/563111225.db2.gz SETZUPSMDRZRHJ-OGVWKLGRSA-N 0 0 461.627 5.841 1 0 JKAFRN CCCCCc1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 ZINC000033986651 563111520 /nfs/dbraw/zinc/11/15/20/563111520.db2.gz HAQNKTBQOIAWDB-DNQXCXABSA-N 0 0 469.666 6.048 1 0 JKAFRN CC(C)(C)c1cc(-c2cc(=O)c3ccc(OCCN4CCOCC4)cc3o2)cc(C(C)(C)C)c1O ZINC000033972963 563111524 /nfs/dbraw/zinc/11/15/24/563111524.db2.gz MWTZROXXCNUIOX-UHFFFAOYSA-N 0 0 479.617 5.472 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033999552 563111633 /nfs/dbraw/zinc/11/16/33/563111633.db2.gz SZTZUGGWPZIINA-HOYKHHGWSA-N 0 0 456.413 6.682 1 0 JKAFRN CCOC(=O)C1=C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000034131179 563112158 /nfs/dbraw/zinc/11/21/58/563112158.db2.gz MBWFAQKPBQJUAM-DQEYMECFSA-N 0 0 465.546 5.111 3 0 JKAFRN CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000034131330 563112167 /nfs/dbraw/zinc/11/21/67/563112167.db2.gz IPZZVYZCFDTESG-VXKWHMMOSA-N 0 0 481.536 5.274 3 0 JKAFRN CCOC(=O)C1=C[C@@H](C(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000034131372 563112268 /nfs/dbraw/zinc/11/22/68/563112268.db2.gz WXAOYCZBNPBURU-DQEYMECFSA-N 0 0 455.620 5.378 3 0 JKAFRN C[C@H](CC[C@@H]1SC1(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000034172383 563112331 /nfs/dbraw/zinc/11/23/31/563112331.db2.gz GVPPAVINGHXLKM-LCWRUPSGSA-N 0 0 458.796 8.407 1 0 JKAFRN CC[C@H](C)C(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)O[C@](C)(CCC=C(C)C)C=C2 ZINC000034187408 563112534 /nfs/dbraw/zinc/11/25/34/563112534.db2.gz GEYVIFNRNUBPHZ-WWOZWPLTSA-N 0 0 472.581 7.305 1 0 in-vivo JKAFRN Cc1c(C(=O)NN2C[C@@H]3CCC[C@H]3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000034210590 563112619 /nfs/dbraw/zinc/11/26/19/563112619.db2.gz FBKYHSUORADGSF-IRXDYDNUSA-N 0 0 489.834 6.185 1 0 JKAFRN CCc1nc(C)c(CN2CCN(c3cccn4cc(-c5ccc(C(C)(C)C)cc5)nc34)CC2)[nH]1 ZINC000034602353 563113936 /nfs/dbraw/zinc/11/39/36/563113936.db2.gz QMCIWSPCULJWEO-UHFFFAOYSA-N 0 0 456.638 5.215 1 0 JKAFRN Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)nn1-c1c(Cl)cccc1Cl ZINC000034656849 563114537 /nfs/dbraw/zinc/11/45/37/563114537.db2.gz DOGIEXRQKZOVTE-UHFFFAOYSA-N 0 0 498.317 6.129 1 0 JKAFRN COc1ccc([N-]S(=O)(=O)c2ccc(-c3c(C)cccc3C)s2)cc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000034663005 563114617 /nfs/dbraw/zinc/11/46/17/563114617.db2.gz JJELPWYEJRXCFM-KDURUIRLSA-N 0 0 485.675 5.028 1 0 JKAFRN Cc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C2CCCC2)C2CC2)cc1 ZINC000034781466 563115000 /nfs/dbraw/zinc/11/50/00/563115000.db2.gz XLVXILUFDUMZFD-MUUNZHRXSA-N 0 0 453.586 5.403 1 0 JKAFRN Cc1cccc(C)c1C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 ZINC000034801076 563115493 /nfs/dbraw/zinc/11/54/93/563115493.db2.gz IYRXIXGRSIJDNI-UHFFFAOYSA-N 0 0 474.008 5.079 1 0 JKAFRN CCOP(=O)(Cc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1)OCC ZINC000034802015 563115889 /nfs/dbraw/zinc/11/58/89/563115889.db2.gz WWXDOAVTZMDWIQ-UHFFFAOYSA-N 0 0 462.490 6.883 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@H]3[C@@H](CCCC3(F)F)[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 ZINC000034802929 563116300 /nfs/dbraw/zinc/11/63/00/563116300.db2.gz ZNXZCDDODDAFRO-KPKJRISBSA-N 0 0 491.500 7.030 1 0 JKAFRN Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(CC3(c4cc(F)ccc4Cl)CCC3)C(F)(F)F)cc12 ZINC000034850363 563116906 /nfs/dbraw/zinc/11/69/06/563116906.db2.gz PDEYZVGOCYDQJF-QFIPXVFZSA-N 0 0 498.860 5.033 1 0 JKAFRN CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccco3)nc3ccccc32)cc1OCC ZINC000034863391 563117110 /nfs/dbraw/zinc/11/71/10/563117110.db2.gz 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O=C(NCc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381429 563127693 /nfs/dbraw/zinc/12/76/93/563127693.db2.gz HLLDSINCGQRMCD-UHFFFAOYSA-N 0 0 456.409 5.105 3 0 JKAFRN CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)c1ccccc1N(Cc1ccccc1C(F)(F)F)C2=O ZINC000036381985 563127870 /nfs/dbraw/zinc/12/78/70/563127870.db2.gz DZFDRVFQMGJCKK-NEKDWFFYSA-N 0 0 493.525 6.652 3 0 JKAFRN COc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1-c1ccc(C(C)=O)cc1 ZINC000036382345 563127926 /nfs/dbraw/zinc/12/79/26/563127926.db2.gz SSGSYJAGLUTKPQ-UHFFFAOYSA-N 0 0 453.586 6.933 3 0 JKAFRN COc1ccc([C@@H]2c3c(N)nc(CCc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000036383186 563128259 /nfs/dbraw/zinc/12/82/59/563128259.db2.gz WVVRXYVGECMNHU-MHZLTWQESA-N 0 0 489.575 6.300 1 0 JKAFRN CC1(C)C[C@H](O)[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000036383813 563128401 /nfs/dbraw/zinc/12/84/01/563128401.db2.gz YXTURDGNXCWFHX-YLJQBEQNSA-N 0 0 458.727 6.112 3 0 JKAFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384274 563128443 /nfs/dbraw/zinc/12/84/43/563128443.db2.gz WGAVYUYTJQECCM-WIOPSUGQSA-N 0 0 492.591 5.420 3 0 JKAFRN Cc1cc(C(C)(C)C)c(OC(=O)[C@@H]2OC(c3ccccc3)=C[C@H]2c2ccccc2)c(C(C)(C)C)c1 ZINC000036387670 563129243 /nfs/dbraw/zinc/12/92/43/563129243.db2.gz LKILXNBWWPRRKB-RBJSKKJNSA-N 0 0 468.637 7.719 3 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000036388246 563129393 /nfs/dbraw/zinc/12/93/93/563129393.db2.gz ATOQMFFMCNHTCK-BJYPFNDOSA-N 0 0 455.573 6.722 1 0 JKAFRN CC(=O)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000036388329 563129403 /nfs/dbraw/zinc/12/94/03/563129403.db2.gz QZTHUKVAPFLFPS-PXTZSQHASA-N 0 0 485.627 7.765 1 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000036388274 563129408 /nfs/dbraw/zinc/12/94/08/563129408.db2.gz XKZJGHRUADKFCX-BAAXXLTASA-N 0 0 465.593 6.621 1 0 JKAFRN CC(=O)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000036388325 563129410 /nfs/dbraw/zinc/12/94/10/563129410.db2.gz QZTHUKVAPFLFPS-UFLGCHLJSA-N 0 0 485.627 7.765 1 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388205 563129445 /nfs/dbraw/zinc/12/94/45/563129445.db2.gz UAFSDYKACDJYMW-GLQAYRDCSA-N 0 0 466.625 6.340 1 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036388466 563129472 /nfs/dbraw/zinc/12/94/72/563129472.db2.gz HHRAYUQAQSESIF-RBJSKKJNSA-N 0 0 496.582 5.533 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)c1 ZINC000036388813 563129645 /nfs/dbraw/zinc/12/96/45/563129645.db2.gz UJBPEZZPBSULGT-UHFFFAOYSA-N 0 0 476.551 7.817 3 0 JKAFRN COc1cc(F)cc(-c2ccc3c(c2)c(-c2cccs2)c(-c2cc(OC)cc(OC)c2)n3C)c1 ZINC000036388825 563129657 /nfs/dbraw/zinc/12/96/57/563129657.db2.gz BNFQFMBXMLUFMS-UHFFFAOYSA-N 0 0 473.569 7.406 3 0 JKAFRN COc1ccc(-c2c3cc(-c4ccc(OC)cc4F)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388829 563129660 /nfs/dbraw/zinc/12/96/60/563129660.db2.gz LAPJDSPQNWHMFM-UHFFFAOYSA-N 0 0 497.566 7.353 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(N(C)C)nc4)ccc3n2C)c1 ZINC000036388833 563129663 /nfs/dbraw/zinc/12/96/63/563129663.db2.gz PPQMXRCXSQDNTH-UHFFFAOYSA-N 0 0 469.610 6.719 3 0 JKAFRN C[C@@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000036435711 563130160 /nfs/dbraw/zinc/13/01/60/563130160.db2.gz YQDBUANZKYBHHI-CHAFTWNYSA-N 0 0 478.758 6.104 1 0 JKAFRN Cn1ccc2cccc(CNc3cccc(-c4c5cccc(Cl)c5nnc4-c4ccccc4)c3)c21 ZINC000036485906 563130628 /nfs/dbraw/zinc/13/06/28/563130628.db2.gz DFDLNHGSXIIXAJ-UHFFFAOYSA-N 0 0 474.995 7.721 1 0 JKAFRN COc1cccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000037666794 563130885 /nfs/dbraw/zinc/13/08/85/563130885.db2.gz AVYQLXAXSDWWCU-UHFFFAOYSA-N 0 0 485.628 7.164 1 0 JKAFRN CCO[C@@H]1CN(c2ccc(Nc3nnc4cc(-c5c(C)cccc5C)cc(C)c4n3)cc2)CCO1 ZINC000037858308 563130909 /nfs/dbraw/zinc/13/09/09/563130909.db2.gz FCHCUQUDMIEJRZ-VWLOTQADSA-N 0 0 469.589 5.560 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4Cl)c(=N)c32)c1 ZINC000038142924 563131567 /nfs/dbraw/zinc/13/15/67/563131567.db2.gz JVBSLPAOZIJGPV-DEOSSOPVSA-N 0 0 465.940 6.453 1 0 JKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1)c1ccccc1F ZINC000038147876 563131921 /nfs/dbraw/zinc/13/19/21/563131921.db2.gz PGEMDJKAVJEXMB-UHFFFAOYSA-N 0 0 484.918 6.527 1 0 JKAFRN COc1cc2c(cc1OC)Sc1ncnc(Sc3cccc(Br)c3)c1NC2 ZINC000038149514 563131946 /nfs/dbraw/zinc/13/19/46/563131946.db2.gz BAQNBDHDQVLTGP-UHFFFAOYSA-N 0 0 462.394 5.484 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](COCc1ccccc1)c1ccccc1 ZINC000038149605 563131954 /nfs/dbraw/zinc/13/19/54/563131954.db2.gz DHVMIPXODCJNOG-QHCPKHFHSA-N 0 0 497.479 6.783 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@](CC)(C(=O)OC)c1ccccc1 ZINC000038149620 563131981 /nfs/dbraw/zinc/13/19/81/563131981.db2.gz PDENOBIOQDVWAN-IBGZPJMESA-N 0 0 497.863 5.957 1 0 JKAFRN CCCCS(=O)(=O)Nc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000038149568 563132030 /nfs/dbraw/zinc/13/20/30/563132030.db2.gz MGGPIWUPAMCKRL-UHFFFAOYSA-N 0 0 465.619 5.840 1 0 JKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(Cn3ccnc3)ccc2c1 ZINC000038149736 563132152 /nfs/dbraw/zinc/13/21/52/563132152.db2.gz WYERIRXJYQMECS-UHFFFAOYSA-N 0 0 469.957 5.561 1 0 JKAFRN CCC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000038157631 563132846 /nfs/dbraw/zinc/13/28/46/563132846.db2.gz LSCYYFXIEWHCPN-CQSZACIVSA-N 0 0 457.422 5.491 1 0 JKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179254 563133098 /nfs/dbraw/zinc/13/30/98/563133098.db2.gz AITUAUVSCWZPOZ-CRAILRFSSA-N 0 0 483.552 6.038 1 0 JKAFRN COC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000038211583 563133158 /nfs/dbraw/zinc/13/31/58/563133158.db2.gz LCUVQTGDCMWNBT-UHFFFAOYSA-N 0 0 485.536 5.563 1 0 JKAFRN Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)nn1-c1ccc(Cl)cc1Cl ZINC000038233529 563133479 /nfs/dbraw/zinc/13/34/79/563133479.db2.gz YFMBGURPJWBCQQ-UHFFFAOYSA-N 0 0 498.317 6.129 1 0 JKAFRN CCCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2cccc(N)n2)cc1 ZINC000038240625 563133480 /nfs/dbraw/zinc/13/34/80/563133480.db2.gz KBSMUYBKHTUHPA-UHFFFAOYSA-N 0 0 460.021 7.460 1 0 JKAFRN NC(=O)Cc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000038256238 563133597 /nfs/dbraw/zinc/13/35/97/563133597.db2.gz VDMNSWVUAZIWIY-UHFFFAOYSA-N 0 0 480.355 5.518 1 0 JKAFRN Cc1cc(=O)c(-c2nnc(Nc3cccc(C(F)(F)F)c3)s2)nn1-c1ccccc1Cl ZINC000038290481 563133752 /nfs/dbraw/zinc/13/37/52/563133752.db2.gz XYXWXJYVHGNHCV-UHFFFAOYSA-N 0 0 463.872 5.475 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2cc1OC ZINC000038310185 563133786 /nfs/dbraw/zinc/13/37/86/563133786.db2.gz JWDQUGVEIYDIDB-UHFFFAOYSA-N 0 0 462.510 5.320 1 0 JKAFRN Cc1cc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C(C(=O)N1CCN(c3ccccc3)CC1)=C(C)N2 ZINC000038403001 563134270 /nfs/dbraw/zinc/13/42/70/563134270.db2.gz PXLAWAKMGPZFON-XMMPIXPASA-N 0 0 482.415 5.136 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000038461020 563134632 /nfs/dbraw/zinc/13/46/32/563134632.db2.gz WADFFGDAIJGNFH-UUOWRZLLSA-N 0 0 456.413 6.682 1 0 JKAFRN Cc1cc(C)cc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(S(N)(=O)=O)cc3)cc2)c1 ZINC000038564863 563135024 /nfs/dbraw/zinc/13/50/24/563135024.db2.gz KRCUADAWZWPWCB-UHFFFAOYSA-N 0 0 471.504 5.489 1 0 JKAFRN COc1cc(O)cc(CCCCCCC/C=C\CCCCCCCc2cc(O)cc(OC)c2)c1 ZINC000038748539 563135282 /nfs/dbraw/zinc/13/52/82/563135282.db2.gz KPPYITHYSCWOGH-ARJAWSKDSA-N 0 0 468.678 8.138 1 0 JKAFRN O=C(Nc1nccs1)c1nc(Sc2nc[nH]n2)ccc1Sc1ccc(C(F)(F)F)cc1 ZINC000038803149 563135550 /nfs/dbraw/zinc/13/55/50/563135550.db2.gz WYLCYSOJGCGVAN-UHFFFAOYSA-N 0 0 480.522 5.230 1 0 JKAFRN COc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038912340 563135814 /nfs/dbraw/zinc/13/58/14/563135814.db2.gz HWGMUVSZGFXYSD-MGBGTMOVSA-N 0 0 490.647 6.151 1 0 JKAFRN COc1cc2c(c3c1C(=O)C[C@H](c1ccc(O)cc1)O3)[C@@H]1C[C@H](CCc3ccc(O)cc3)O[C@@H]1O2 ZINC000039036262 563136070 /nfs/dbraw/zinc/13/60/70/563136070.db2.gz JKOQQSVLZXLHME-CDGHXISVSA-N 0 0 474.509 5.037 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@@H](Oc1ccc(Cl)c2c1CCCC2)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242723 563136531 /nfs/dbraw/zinc/13/65/31/563136531.db2.gz HUZUJCBFOYWWDK-DEOSSOPVSA-N 0 0 457.353 6.958 1 0 JKAFRN COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242743 563136541 /nfs/dbraw/zinc/13/65/41/563136541.db2.gz VXWKSUMNVBKXJO-HHHXNRCGSA-N 0 0 474.984 7.876 1 0 JKAFRN COC(=O)[C@H](Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242701 563136543 /nfs/dbraw/zinc/13/65/43/563136543.db2.gz MQHWNCSROVMAER-AREMUKBSSA-N 0 0 481.032 8.020 1 0 JKAFRN COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242742 563136552 /nfs/dbraw/zinc/13/65/52/563136552.db2.gz VXWKSUMNVBKXJO-MHZLTWQESA-N 0 0 474.984 7.876 1 0 JKAFRN Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@@H]5CCCC[C@H]54)c3)ncn2)c1 ZINC000039301254 563136636 /nfs/dbraw/zinc/13/66/36/563136636.db2.gz QHWRTJGYQNYOAF-SQJMNOBHSA-N 0 0 455.606 6.091 1 0 JKAFRN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000040379429 563137241 /nfs/dbraw/zinc/13/72/41/563137241.db2.gz LFENEOIFAJXLSV-AOYPEHQESA-N 0 0 451.526 5.045 1 0 JKAFRN CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379688 563137299 /nfs/dbraw/zinc/13/72/99/563137299.db2.gz VAURQAQEWCIKAR-OAQYLSRUSA-N 0 0 495.211 5.027 1 0 JKAFRN Clc1ccc(Cc2nnc(-c3cccc4ccccc43)n2C2CCC3(CC2)OCCO3)cc1 ZINC000040379746 563137329 /nfs/dbraw/zinc/13/73/29/563137329.db2.gz UNZWXXHGUDVYEM-UHFFFAOYSA-N 0 0 459.977 6.201 1 0 JKAFRN O=C(Nc1ncc(CCNc2ncnc3ccsc32)s1)Nc1ccc(Cl)c(Cl)c1 ZINC000040380170 563137501 /nfs/dbraw/zinc/13/75/01/563137501.db2.gz GAROAAIHALTJIR-UHFFFAOYSA-N 0 0 465.391 5.753 1 0 JKAFRN O=C(Nc1ccc(CCNc2ncnc3ccsc32)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000040391667 563137857 /nfs/dbraw/zinc/13/78/57/563137857.db2.gz UZICNABHDZJWBD-UHFFFAOYSA-N 0 0 457.481 6.009 1 0 JKAFRN Nn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040392241 563137937 /nfs/dbraw/zinc/13/79/37/563137937.db2.gz KUPYVLAVUMNGCH-UHFFFAOYSA-N 0 0 481.167 5.142 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc(OCC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 ZINC000040392897 563138112 /nfs/dbraw/zinc/13/81/12/563138112.db2.gz ICJSATZSWYWXBB-MHZLTWQESA-N 0 0 475.585 5.465 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cccc(Cl)c2[nH]c1-c1ccccc1 ZINC000040392803 563138118 /nfs/dbraw/zinc/13/81/18/563138118.db2.gz XPIDZTWRFKTDNU-UHFFFAOYSA-N 0 0 467.053 7.660 1 0 JKAFRN Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040392942 563138119 /nfs/dbraw/zinc/13/81/19/563138119.db2.gz VUWPHOJUKRZAQN-AREMUKBSSA-N 0 0 488.513 6.066 1 0 JKAFRN CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000040392869 563138131 /nfs/dbraw/zinc/13/81/31/563138131.db2.gz PAZFNSWZKAZYBC-UFWSKHONSA-N 0 0 496.444 5.545 1 0 JKAFRN Cc1ccc([C@H](Nc2nsnc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1 ZINC000040393129 563138293 /nfs/dbraw/zinc/13/82/93/563138293.db2.gz UXUIKTKXWYNOMQ-KRWDZBQOSA-N 0 0 497.543 5.809 1 0 JKAFRN CC[C@@H](Nc1nsnc1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1ccc(C)o1 ZINC000040393338 563138351 /nfs/dbraw/zinc/13/83/51/563138351.db2.gz MWABJGSIPHBDDC-GFCCVEGCSA-N 0 0 469.489 5.173 1 0 JKAFRN O=c1c(Br)c(C(F)(F)F)[nH]cc1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394338 563138712 /nfs/dbraw/zinc/13/87/12/563138712.db2.gz RLWZFSYVVDWNDA-UHFFFAOYSA-N 0 0 494.185 6.926 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3cccc(Cl)c3C)ccc2n1 ZINC000040394651 563138805 /nfs/dbraw/zinc/13/88/05/563138805.db2.gz YLPXAFGCORODJP-UHFFFAOYSA-N 0 0 479.367 7.055 1 0 JKAFRN FC(F)(F)c1ccc(Nc2nc3c(ncnc3Nc3ccc(C(F)(F)F)cc3)s2)cc1 ZINC000040394657 563138817 /nfs/dbraw/zinc/13/88/17/563138817.db2.gz WOJGQPUVRDMJCB-UHFFFAOYSA-N 0 0 455.387 6.611 1 0 JKAFRN CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c2n[nH]c(=O)n21 ZINC000040394792 563138867 /nfs/dbraw/zinc/13/88/67/563138867.db2.gz RCDDRZOJAVJMCL-UHFFFAOYSA-N 0 0 464.356 5.904 1 0 JKAFRN CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)CC1 ZINC000040394990 563138954 /nfs/dbraw/zinc/13/89/54/563138954.db2.gz DSQRJZAYFRQLGZ-FQEVSTJZSA-N 0 0 453.936 5.574 1 0 JKAFRN O=c1cc(-c2ccc(O)cc2)oc2cc(Oc3ccc4oc(-c5ccc(O)cc5)cc(=O)c4c3)ccc12 ZINC000040395194 563139110 /nfs/dbraw/zinc/13/91/10/563139110.db2.gz PNFHRGKFNQMNJM-UHFFFAOYSA-N 0 0 490.467 6.437 1 0 JKAFRN CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000040395464 563139178 /nfs/dbraw/zinc/13/91/78/563139178.db2.gz HTVYFULXCNCIQP-RWAKPREXSA-N 0 0 454.695 6.693 1 0 JKAFRN 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563140052 /nfs/dbraw/zinc/14/00/52/563140052.db2.gz FEDJAYSNJABAMC-UHFFFAOYSA-N 0 0 459.354 5.902 1 0 JKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040406682 563140213 /nfs/dbraw/zinc/14/02/13/563140213.db2.gz IRJXRYRNNJVUIZ-IBGZPJMESA-N 0 0 453.892 5.404 1 0 JKAFRN CC(C)(CN(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 ZINC000040407291 563140259 /nfs/dbraw/zinc/14/02/59/563140259.db2.gz QOZBJOZYLSHBRL-UHFFFAOYSA-N 0 0 484.061 6.660 1 0 JKAFRN Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3cccc(Br)c3)O2)cc1 ZINC000040408021 563140364 /nfs/dbraw/zinc/14/03/64/563140364.db2.gz TYSVOWQYRQTDSV-RBBKRZOGSA-N 0 0 493.854 5.836 1 0 JKAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(/C=C/c4ccc(O)cc4)cc3)cc2)CC1 ZINC000040407880 563140366 /nfs/dbraw/zinc/14/03/66/563140366.db2.gz NMNJTOVZAKDWOB-SNAWJCMRSA-N 0 0 499.611 5.872 1 0 JKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(C(F)(F)F)c1 ZINC000040407984 563140382 /nfs/dbraw/zinc/14/03/82/563140382.db2.gz 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O=C([O-])c1ccc(CC[N@@H+]2CCC[C@@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 ZINC000040420498 563141337 /nfs/dbraw/zinc/14/13/37/563141337.db2.gz FRDXADDOEBJNOD-RUZDIDTESA-N 0 0 483.568 5.951 1 0 JKAFRN NNc1nc(=O)c2c(-c3ccc(Cl)cc3)c3c([nH]c-2n1)C(=Cc1ccc(Cl)cc1)CCC3 ZINC000040420612 563141376 /nfs/dbraw/zinc/14/13/76/563141376.db2.gz IOPYGMZAQMNLKJ-NTCAYCPXSA-N 0 0 464.356 5.454 1 0 JKAFRN Cc1c(C(=O)NC(=O)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040421072 563141417 /nfs/dbraw/zinc/14/14/17/563141417.db2.gz AZMAUOCWJMYHGT-UHFFFAOYSA-N 0 0 450.753 5.720 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(OC)ccc1Cl ZINC000040420981 563141448 /nfs/dbraw/zinc/14/14/48/563141448.db2.gz MYBYEJZMCZJKTH-NRFANRHFSA-N 0 0 451.010 7.034 1 0 JKAFRN C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040421316 563141548 /nfs/dbraw/zinc/14/15/48/563141548.db2.gz RWHTWAJJGLPJEO-YADARESESA-N 0 0 492.639 6.064 1 0 JKAFRN CC(C)(C)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)O1 ZINC000040422296 563141859 /nfs/dbraw/zinc/14/18/59/563141859.db2.gz UDNXVHQCFGZCFM-CRCAMNAQSA-N 0 0 462.464 5.023 1 0 JKAFRN Cc1ccc2c(Cc3nn4c(C=O)c(-c5ccc(Br)cc5)nc4s3)coc2c1 ZINC000040422773 563142014 /nfs/dbraw/zinc/14/20/14/563142014.db2.gz ZFUBYHUTHLIZGL-UHFFFAOYSA-N 0 0 452.333 5.678 1 0 JKAFRN FC(F)(F)c1cccc2c1nn(Cc1ccccc1C(F)(F)F)c2-c1ccc(Cl)cc1 ZINC000040422862 563142058 /nfs/dbraw/zinc/14/20/58/563142058.db2.gz CDLBQZJYZMCUBN-UHFFFAOYSA-N 0 0 454.801 7.443 1 0 JKAFRN CCCCc1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000040422844 563142077 /nfs/dbraw/zinc/14/20/77/563142077.db2.gz NILNXRXBILNBBW-UHFFFAOYSA-N 0 0 461.780 7.201 1 0 JKAFRN CCCCCC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000040422928 563142079 /nfs/dbraw/zinc/14/20/79/563142079.db2.gz XIVMKQZLVVLIRL-QHCPKHFHSA-N 0 0 453.841 6.461 1 0 JKAFRN CCO[C@@H](Cc1ccc(OCC[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000040422975 563142164 /nfs/dbraw/zinc/14/21/64/563142164.db2.gz MVHULWQPOJDEDT-QHCPKHFHSA-N 0 0 464.389 5.194 1 0 JKAFRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCc1ccccc1 ZINC000040423047 563142167 /nfs/dbraw/zinc/14/21/67/563142167.db2.gz XSZYGLGNJXJNIU-QHCPKHFHSA-N 0 0 475.601 7.366 1 0 JKAFRN CC(=O)C1=NN(c2ccc(Br)cc2)SC12c1ccccc1Oc1ccccc12 ZINC000040424826 563142947 /nfs/dbraw/zinc/14/29/47/563142947.db2.gz IVFAHUPQUWXGIY-UHFFFAOYSA-N 0 0 451.345 5.912 1 0 JKAFRN Cc1c(C2=NC(C)(C)C(=O)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040430726 563143618 /nfs/dbraw/zinc/14/36/18/563143618.db2.gz YABALQKENOWPKZ-UHFFFAOYSA-N 0 0 461.780 5.805 1 0 JKAFRN CC1=NN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(C)=NN1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040505520 563144914 /nfs/dbraw/zinc/14/49/14/563144914.db2.gz OLPQVOJAUZFLHD-UHFFFAOYSA-N 0 0 488.162 6.349 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538363 563145199 /nfs/dbraw/zinc/14/51/99/563145199.db2.gz KBZDSAIJDPOESJ-ZJXBYAEDSA-N 0 0 481.721 6.379 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1=O ZINC000040556734 563145307 /nfs/dbraw/zinc/14/53/07/563145307.db2.gz YIBSIHZUQZHRRF-HXUWFJFHSA-N 0 0 458.867 5.343 1 0 JKAFRN CC1CCN(C(=O)c2cccc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)c2)CC1 ZINC000040564312 563145409 /nfs/dbraw/zinc/14/54/09/563145409.db2.gz IPSSGRBTYPDFKK-UHFFFAOYSA-N 0 0 494.686 5.626 1 0 JKAFRN CCCOP(=O)(OCCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccccc1F ZINC000040565059 563145491 /nfs/dbraw/zinc/14/54/91/563145491.db2.gz UHXKQLHHHPWYPE-HXUWFJFHSA-N 0 0 452.488 6.601 1 0 JKAFRN CCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000040566984 563145947 /nfs/dbraw/zinc/14/59/47/563145947.db2.gz JFZVXMDRNLSHKJ-XZTOTZIXSA-N 0 0 476.613 5.302 1 0 JKAFRN CC(C)c1cc(Br)cc(C(C)C)c1N1C(=O)c2c(c(F)c(F)c(F)c2F)C1=O ZINC000040568155 563146165 /nfs/dbraw/zinc/14/61/65/563146165.db2.gz NIRWFHMBPUYZSO-UHFFFAOYSA-N 0 0 458.249 6.053 1 0 JKAFRN COc1ccc(CCO[C@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1OC ZINC000040575563 563146320 /nfs/dbraw/zinc/14/63/20/563146320.db2.gz MBAQRMFEGFSNMG-WJOKGBTCSA-N 0 0 479.576 5.820 1 0 JKAFRN O=C(c1ccc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2c1)N1CCCC1 ZINC000040575761 563146416 /nfs/dbraw/zinc/14/64/16/563146416.db2.gz GZTRTESDPOCGER-UHFFFAOYSA-N 0 0 485.996 6.157 1 0 JKAFRN C[C@H](C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000040575688 563146468 /nfs/dbraw/zinc/14/64/68/563146468.db2.gz QVLQTFADTORMEN-IBGZPJMESA-N 0 0 452.645 6.763 1 0 JKAFRN COc1ccc(C(c2ccc(OC)cc2)=C2C[C@@H](c3ccc(O)cc3)Oc3cc(OC)ccc32)cc1 ZINC000040584635 563146674 /nfs/dbraw/zinc/14/66/74/563146674.db2.gz CRKIOPPACGWNLH-LJAQVGFWSA-N 0 0 480.560 6.901 1 0 JKAFRN CCN(CC)C(=O)/C=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c3cc(Br)ccc3oc21 ZINC000040584501 563146680 /nfs/dbraw/zinc/14/66/80/563146680.db2.gz RCKMMOMSLKJHHE-VVCPVLJKSA-N 0 0 491.385 6.734 1 0 JKAFRN CC[C@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040640785 563147237 /nfs/dbraw/zinc/14/72/37/563147237.db2.gz PCJVQAIEWHNOOB-VWLOTQADSA-N 0 0 452.562 5.461 1 0 JKAFRN COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000040753343 563147734 /nfs/dbraw/zinc/14/77/34/563147734.db2.gz BUFNPAYKUGAAAO-HLULBIOLSA-N 0 0 478.629 6.276 1 0 in-vitro JKAFRN CCC[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000040763099 563147884 /nfs/dbraw/zinc/14/78/84/563147884.db2.gz JFZVXMDRNLSHKJ-PBIKNJLJSA-N 0 0 476.613 5.302 1 0 JKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000040764221 563148219 /nfs/dbraw/zinc/14/82/19/563148219.db2.gz ACMBTHUEHVRJAL-UHFFFAOYSA-N 0 0 461.978 5.634 1 0 JKAFRN COc1ccc2c(c1)O[C@@H](c1ccc(O)cc1)C/C2=C\c1ccc(OCc2ccccc2)cc1 ZINC000040767073 563148430 /nfs/dbraw/zinc/14/84/30/563148430.db2.gz GDOLZPLOYJDXLN-DPJFAKJTSA-N 0 0 450.534 7.044 1 0 JKAFRN CCC[C@@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040791324 563148620 /nfs/dbraw/zinc/14/86/20/563148620.db2.gz AXDPXIKIADMXCF-AREMUKBSSA-N 0 0 466.589 5.851 1 0 JKAFRN COc1ccc2c(Cc3ccc(OC(F)(F)F)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000040810829 563148694 /nfs/dbraw/zinc/14/86/94/563148694.db2.gz IHBUPLFHMAPSOP-UHFFFAOYSA-N 0 0 495.453 5.403 1 0 JKAFRN COC(=O)C/C=C/C1=CO[C@]23CC[C@H]1[C@@]2(C)CC[C@H]1[C@H]3CC[C@@H]2C[C@@H](OC(C)=O)CC[C@@]21C ZINC000040810485 563148710 /nfs/dbraw/zinc/14/87/10/563148710.db2.gz CTLXZEAWKXPIAH-ZBRFGPGPSA-N 0 0 456.623 5.733 1 0 JKAFRN CCOC(=O)CCCCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040845618 563149167 /nfs/dbraw/zinc/14/91/67/563149167.db2.gz QPIZLPZYEQJCSO-UHFFFAOYSA-N 0 0 494.628 6.873 1 0 JKAFRN COc1cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)[O-])c1 ZINC000040848131 563149527 /nfs/dbraw/zinc/14/95/27/563149527.db2.gz HELINHYFLXXSFF-OFVILXPXSA-N 0 0 467.949 5.020 1 0 JKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1 ZINC000040848129 563149535 /nfs/dbraw/zinc/14/95/35/563149535.db2.gz IMXOZHDOGFUUPQ-UHFFFAOYSA-N 0 0 452.518 5.766 1 0 JKAFRN COC(=O)[C@H]1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O ZINC000040849191 563149800 /nfs/dbraw/zinc/14/98/00/563149800.db2.gz ZTWQZGIOXRCDQP-XMMPIXPASA-N 0 0 483.520 5.189 1 0 JKAFRN COCCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040860338 563149923 /nfs/dbraw/zinc/14/99/23/563149923.db2.gz WXIHXYDSBPDUPK-UHFFFAOYSA-N 0 0 492.423 6.662 1 0 JKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc2ccccc21 ZINC000040860931 563150001 /nfs/dbraw/zinc/15/00/01/563150001.db2.gz OSSYCBWLWGBDNV-VHVGVXPPSA-N 0 0 473.701 7.615 1 0 JKAFRN Cc1cccc2sc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)nc21 ZINC000040861176 563150084 /nfs/dbraw/zinc/15/00/84/563150084.db2.gz YFSJSEQQUOXJSS-UHFFFAOYSA-N 0 0 497.667 5.373 1 0 JKAFRN C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Cl)c1 ZINC000040861237 563150085 /nfs/dbraw/zinc/15/00/85/563150085.db2.gz NYGSZBQKYORCFH-OGKKXEKVSA-N 0 0 458.086 7.115 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)OC(C)(C)[C@H]1CC=C(C)CC1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040862584 563150359 /nfs/dbraw/zinc/15/03/59/563150359.db2.gz QFWADGLXGUFMMG-ISJGIBHGSA-N 0 0 494.716 8.418 1 0 JKAFRN C[C@@H](CC[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C(C)(C)O)OCCC[C@H]4[C@]3(C)CC[C@@]12C ZINC000040863040 563150432 /nfs/dbraw/zinc/15/04/32/563150432.db2.gz YQDBUANZKYBHHI-YTXZDOLYSA-N 0 0 478.758 6.104 1 0 JKAFRN O=S(=O)(c1ccccc1)[C@](F)(c1nnc(C2CC2)o1)[C@H]1Cc2[nH]c3ccc(Cl)cc3c2C1 ZINC000040863096 563150488 /nfs/dbraw/zinc/15/04/88/563150488.db2.gz FDPTZOBGHHQMTN-FATZIPQQSA-N 0 0 471.941 5.093 1 0 JKAFRN CCCNc1cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)[O-])c1 ZINC000040863319 563150537 /nfs/dbraw/zinc/15/05/37/563150537.db2.gz OVMRHLQXMDOJKN-HOFKKMOUSA-N 0 0 495.019 5.833 1 0 JKAFRN Cc1cc(NC(=O)c2ccco2)c2cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 ZINC000040863561 563150566 /nfs/dbraw/zinc/15/05/66/563150566.db2.gz SWJXFKUPESGROC-UHFFFAOYSA-N 0 0 488.853 6.705 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(Nc5ccc(C(F)(F)F)cc5)nn(C)c4c3)c2cc1OC ZINC000040864500 563150755 /nfs/dbraw/zinc/15/07/55/563150755.db2.gz UXFAPZKWKVGBBM-UHFFFAOYSA-N 0 0 494.473 6.693 1 0 JKAFRN O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3ccccc3)c21 ZINC000040864304 563150774 /nfs/dbraw/zinc/15/07/74/563150774.db2.gz WXFPREJDMKDLPN-UHFFFAOYSA-N 0 0 494.547 5.877 1 0 JKAFRN CCN(CC)c1ccc(C(P2(=O)OCC(C)(C)CO2)P2(=O)OCC(C)(C)CO2)cc1 ZINC000040864147 563150788 /nfs/dbraw/zinc/15/07/88/563150788.db2.gz HTZACBSGXNRODV-UHFFFAOYSA-N 0 0 459.460 6.064 1 0 JKAFRN CCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864139 563150801 /nfs/dbraw/zinc/15/08/01/563150801.db2.gz JUSNGEZMJUSUPU-UHFFFAOYSA-N 0 0 475.807 7.762 1 0 JKAFRN CCCC[C@@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)OCC ZINC000040865365 563150932 /nfs/dbraw/zinc/15/09/32/563150932.db2.gz AFPQXHOGCQYPOF-XMMPIXPASA-N 0 0 494.657 5.934 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)O[C@H]1C(C)(C)[C@@H]3CC[C@@]1(C)C3)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040865825 563150995 /nfs/dbraw/zinc/15/09/95/563150995.db2.gz MQJYRDGWGIZCIV-YFRVIJRPSA-N 0 0 494.716 8.107 1 0 JKAFRN Cc1cc(NC(=O)c2ccco2)c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1 ZINC000040865895 563151048 /nfs/dbraw/zinc/15/10/48/563151048.db2.gz ARCJZFJAIBFYAE-UHFFFAOYSA-N 0 0 465.307 5.795 1 0 JKAFRN Cc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000040866426 563151079 /nfs/dbraw/zinc/15/10/79/563151079.db2.gz MUQVVBPBAJYTDI-UHFFFAOYSA-N 0 0 487.854 7.080 1 0 JKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(OC(C)C)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040873425 563151722 /nfs/dbraw/zinc/15/17/22/563151722.db2.gz HMWBDNPYGWPLRR-CCEZHUSRSA-N 0 0 475.533 5.850 1 0 JKAFRN O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000040873828 563151780 /nfs/dbraw/zinc/15/17/80/563151780.db2.gz OHPIQCNZIIKWMA-UHFFFAOYSA-N 0 0 451.151 5.501 1 0 JKAFRN COc1ccc(C(=O)CSc2nc(Cc3c(Cl)cccc3Cl)c(C(C)C)c(=O)[nH]2)cc1 ZINC000040874696 563152024 /nfs/dbraw/zinc/15/20/24/563152024.db2.gz WWDRLFCIWZLMKD-UHFFFAOYSA-N 0 0 477.413 5.775 1 0 JKAFRN CCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040874850 563152100 /nfs/dbraw/zinc/15/21/00/563152100.db2.gz FJFBAEKFHBDIAX-CYBMUJFWSA-N 0 0 491.875 8.230 1 0 JKAFRN CC(/C=C/C1=CCCCC1(C)C)=C\C=C\C(C)=C\COC(=O)c1cc(O)c2ccccc2c1O ZINC000040875013 563152108 /nfs/dbraw/zinc/15/21/08/563152108.db2.gz UPKCBIJEYIWEDX-RTCGSOPGSA-N 0 0 458.598 7.549 1 0 JKAFRN O=c1cc(-c2ccccc2)oc2cc(Oc3ccc4oc(-c5ccccc5)cc(=O)c4c3)ccc12 ZINC000040875195 563152231 /nfs/dbraw/zinc/15/22/31/563152231.db2.gz IGRXBHDMCKHQQC-UHFFFAOYSA-N 0 0 458.469 7.026 1 0 in-vivo JKAFRN CCCCCc1cc2c(c(O)c1C(=O)O[C@]1(C(C)C)CC=C(C)CC1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040875379 563152243 /nfs/dbraw/zinc/15/22/43/563152243.db2.gz GPDTXUUTEQEBIO-NCLPYWGKSA-N 0 0 494.716 8.418 1 0 JKAFRN CN(c1nc2c(ncnc2Nc2ccc(C(F)(F)F)cc2)s1)c1c(Cl)cccc1Cl ZINC000040875578 563152323 /nfs/dbraw/zinc/15/23/23/563152323.db2.gz JNZTTZSRFTUGIA-UHFFFAOYSA-N 0 0 470.307 6.923 1 0 JKAFRN COc1ccc(-c2cc(=O)c3cc(Oc4ccc5c(=O)cc(-c6ccccc6)oc5c4)ccc3o2)cc1 ZINC000040876175 563152421 /nfs/dbraw/zinc/15/24/21/563152421.db2.gz UQNBBBQCELYTOB-UHFFFAOYSA-N 0 0 488.495 7.034 1 0 JKAFRN CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3cccc(Cl)c3)cc2c2n[nH]c(=O)n21 ZINC000040876631 563152443 /nfs/dbraw/zinc/15/24/43/563152443.db2.gz JKWQGCBWERHCKC-UHFFFAOYSA-N 0 0 464.356 5.904 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2n1 ZINC000040877042 563152512 /nfs/dbraw/zinc/15/25/12/563152512.db2.gz RVOJVMADFGBHSZ-UHFFFAOYSA-N 0 0 465.340 6.746 1 0 JKAFRN Cc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1 ZINC000040877805 563152567 /nfs/dbraw/zinc/15/25/67/563152567.db2.gz RQOVJXRDGCYDNW-UHFFFAOYSA-N 0 0 486.403 5.918 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1 ZINC000040879043 563152753 /nfs/dbraw/zinc/15/27/53/563152753.db2.gz GGIPEVUWPMVPNG-UHFFFAOYSA-N 0 0 459.513 6.146 1 0 JKAFRN CCc1nc(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)[nH]1 ZINC000040880099 563152834 /nfs/dbraw/zinc/15/28/34/563152834.db2.gz MOPYTTWBRBUOEQ-UHFFFAOYSA-N 0 0 456.638 5.444 1 0 JKAFRN Cc1nc2ccnn2c(-c2cccc(Cl)c2Cl)c1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000040879736 563152869 /nfs/dbraw/zinc/15/28/69/563152869.db2.gz ISSIMKZPWCHJOQ-UHFFFAOYSA-N 0 0 484.362 5.113 1 0 JKAFRN CS(=O)(=O)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1 ZINC000040881004 563152904 /nfs/dbraw/zinc/15/29/04/563152904.db2.gz IDVNOAFQDRIEGH-UHFFFAOYSA-N 0 0 466.375 5.284 1 0 JKAFRN O=C(NC1CCCCCC1)C(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 ZINC000040881189 563153010 /nfs/dbraw/zinc/15/30/10/563153010.db2.gz OKLZPOKXMZXYDY-DEOSSOPVSA-N 0 0 488.459 5.066 1 0 JKAFRN Fc1ccc(-c2noc(C3CCN(c4cnc5ccc(OC(F)(F)F)cc5c4)CC3)n2)c(Cl)c1 ZINC000040891935 563153188 /nfs/dbraw/zinc/15/31/88/563153188.db2.gz UBZSQBAGAHFYON-UHFFFAOYSA-N 0 0 492.860 6.360 1 0 JKAFRN O=C(c1cccc2cnccc21)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040892616 563153363 /nfs/dbraw/zinc/15/33/63/563153363.db2.gz RGJDKQYZMPZKCU-UHFFFAOYSA-N 0 0 450.966 5.259 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Br)cc4)cc32)cc1 ZINC000040892472 563153377 /nfs/dbraw/zinc/15/33/77/563153377.db2.gz KLYPWRBTGZISMV-UHFFFAOYSA-N 0 0 464.323 5.789 1 0 JKAFRN COc1c(C)c(O)c(C(C)=O)c(OC)c1Cc1c(O)c(C(=O)C(C)C)c2c(c1OC)C=CC(C)(C)O2 ZINC000040893351 563153553 /nfs/dbraw/zinc/15/35/53/563153553.db2.gz CAQDSQTXEOMFOO-UHFFFAOYSA-N 0 0 498.572 5.248 1 0 JKAFRN O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040895330 563153774 /nfs/dbraw/zinc/15/37/74/563153774.db2.gz OTMRTBHTIUJEED-VAWYXSNFSA-N 0 0 477.376 6.381 1 0 JKAFRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000040895575 563153830 /nfs/dbraw/zinc/15/38/30/563153830.db2.gz PRAXWRORYUIVHX-OAHLLOKOSA-N 0 0 487.339 5.466 1 0 JKAFRN C[C@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000040895629 563153865 /nfs/dbraw/zinc/15/38/65/563153865.db2.gz PDXRTNBNKNCEHU-JZHNQXSHSA-N 0 0 470.694 5.808 1 0 JKAFRN CCCc1c2ncnc(NCc3ccc(OC)c(Cl)c3)c2cc(NC(=O)C2CC2)c1OC ZINC000040896853 563154029 /nfs/dbraw/zinc/15/40/29/563154029.db2.gz XLYBDSSGUFSUAT-UHFFFAOYSA-N 0 0 454.958 5.214 1 0 JKAFRN C[C@@H]1[C@@H]2[C@]3(CCC1(C)C)CC[C@]1(C)[C@]2(OC3=O)[C@@H](O)C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000040897734 563154068 /nfs/dbraw/zinc/15/40/68/563154068.db2.gz HKGGWAAASPSTGL-OPTFZEBKSA-N 0 0 484.721 6.333 1 0 JKAFRN COc1ccc(CNc2ccc(-c3ccc(C[C@H]([NH3+])C(=O)[O-])cc3)cc2)cc1OC1CCCC1 ZINC000040897844 563154169 /nfs/dbraw/zinc/15/41/69/563154169.db2.gz KVPPJCAMDSECSA-VWLOTQADSA-N 0 0 460.574 5.250 1 0 JKAFRN COc1ccccc1[C@@H]1[C@@H](C)C(=O)[C@@H](C)[C@@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898775 563154349 /nfs/dbraw/zinc/15/43/49/563154349.db2.gz LCNVZXMJDOGQHW-PKQQGCBCSA-N 0 0 497.595 5.220 1 0 JKAFRN COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)cc1OCc1ccccc1C(F)(F)F ZINC000040900456 563154702 /nfs/dbraw/zinc/15/47/02/563154702.db2.gz QRODFHXJGMZHTM-UHFFFAOYSA-N 0 0 492.475 5.489 1 0 JKAFRN O=C(NC1CC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1 ZINC000040913571 563154938 /nfs/dbraw/zinc/15/49/38/563154938.db2.gz FZOGUASBOGBWGQ-UHFFFAOYSA-N 0 0 498.151 5.343 1 0 JKAFRN O=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)NC1CCCCC1 ZINC000040913633 563155043 /nfs/dbraw/zinc/15/50/43/563155043.db2.gz PNCMLEMYFUUUDT-UHFFFAOYSA-N 0 0 498.241 6.675 1 0 JKAFRN CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000040914457 563155198 /nfs/dbraw/zinc/15/51/98/563155198.db2.gz DKSFVLSIZNWGBG-UIDQEFQQSA-N 0 0 454.401 7.613 1 0 JKAFRN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](Nc2ccccc2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040915499 563155456 /nfs/dbraw/zinc/15/54/56/563155456.db2.gz BJLHXLVEGNRDCK-SANMLTNESA-N 0 0 486.537 7.512 1 0 JKAFRN CCOC(=O)C1=NO[C@@H](c2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C1 ZINC000040916698 563155672 /nfs/dbraw/zinc/15/56/72/563155672.db2.gz ZLFQHUCKTGOUQV-JOCHJYFZSA-N 0 0 478.467 5.014 1 0 JKAFRN COc1ccc(-c2ccc(-c3n[nH]cc3C=C3SC(=N)N(c4nccs4)C3=O)cc2)cc1 ZINC000040917104 563155791 /nfs/dbraw/zinc/15/57/91/563155791.db2.gz HGSGVECWMMNBFO-PNVGRYOSSA-N 0 0 459.556 5.264 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2c(ccc(OC(C)=O)c2OC(C)=O)O1 ZINC000040917247 563155811 /nfs/dbraw/zinc/15/58/11/563155811.db2.gz RAYIDJIDGBPJDH-XVKBKKHOSA-N 0 0 480.645 7.901 1 0 JKAFRN Clc1ccc2c(c1)nccc2Nc1ccc(Cl)c(CN2CCN(c3ccccn3)CC2)c1 ZINC000040917384 563155943 /nfs/dbraw/zinc/15/59/43/563155943.db2.gz CTAFLEZNKYCGGV-UHFFFAOYSA-N 0 0 464.400 6.002 1 0 JKAFRN FC(F)(F)c1cc(Nc2nc3ccccc3c3nc(C4CCCCC4)[nH]c32)cc(C(F)(F)F)c1 ZINC000040917823 563156048 /nfs/dbraw/zinc/15/60/48/563156048.db2.gz LMHGKMCCCVOKDK-UHFFFAOYSA-N 0 0 478.440 7.940 1 0 JKAFRN O=S1(=O)Oc2ccccc2N(CCc2ccc(OCc3ccccc3)cc2)c2ncccc21 ZINC000040918343 563156164 /nfs/dbraw/zinc/15/61/64/563156164.db2.gz ISBXUJQUZPZOTC-UHFFFAOYSA-N 0 0 458.539 5.123 1 0 JKAFRN Fc1ccc(-c2noc(C3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)n2)c(Cl)c1 ZINC000040918681 563156410 /nfs/dbraw/zinc/15/64/10/563156410.db2.gz ILTVKWITCXQNDJ-UHFFFAOYSA-N 0 0 460.258 6.585 1 0 JKAFRN Cc1c(S(=O)(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040919049 563156525 /nfs/dbraw/zinc/15/65/25/563156525.db2.gz ZNLYBTSYZSJLGX-UHFFFAOYSA-N 0 0 499.851 5.487 1 0 JKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC[C@H]2CCCC[C@@H]2O)c1 ZINC000040919128 563156580 /nfs/dbraw/zinc/15/65/80/563156580.db2.gz DSGCQNZZSGRDRJ-CTNGQTDRSA-N 0 0 470.614 5.083 1 0 JKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)[C@H]2c1ccccc1 ZINC000040933064 563156719 /nfs/dbraw/zinc/15/67/19/563156719.db2.gz ABYKYGKCFPHLBN-QHCPKHFHSA-N 0 0 479.502 6.108 1 0 JKAFRN O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC2(CC1)C(=O)N(c1ccccc1)[C@@H]2c1ccccc1 ZINC000040933347 563156813 /nfs/dbraw/zinc/15/68/13/563156813.db2.gz SKNOOPPMYGWGEG-JOCHJYFZSA-N 0 0 480.490 5.503 1 0 JKAFRN O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000040933843 563157067 /nfs/dbraw/zinc/15/70/67/563157067.db2.gz QECUTLNAXBTBCH-UHFFFAOYSA-N 0 0 474.560 6.056 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934182 563157343 /nfs/dbraw/zinc/15/73/43/563157343.db2.gz UVFAVFCHWWKWNA-HNNXBMFYSA-N 0 0 454.521 7.053 1 0 JKAFRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040934724 563157523 /nfs/dbraw/zinc/15/75/23/563157523.db2.gz MERNBUIIDBIGFK-XMMPIXPASA-N 0 0 483.568 6.299 1 0 JKAFRN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccc(C(N)=O)cc2)n1)c1ccccc1 ZINC000040934846 563157543 /nfs/dbraw/zinc/15/75/43/563157543.db2.gz MNPAZLBCFAZQDR-IBGZPJMESA-N 0 0 492.558 5.467 1 0 JKAFRN C[C@@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]12c1ccccc1N(C)C2=O ZINC000040935320 563157628 /nfs/dbraw/zinc/15/76/28/563157628.db2.gz PDPHSUSXXMUFJQ-UGDMGKLASA-N 0 0 458.561 5.448 1 0 JKAFRN C[N@H+](CCCNc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)Cc1ccc(C(=O)[O-])cc1 ZINC000040935339 563157729 /nfs/dbraw/zinc/15/77/29/563157729.db2.gz VWJWYYZOARKALB-UHFFFAOYSA-N 0 0 457.530 5.766 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(-c2ccccc2)ccc1C ZINC000040935745 563157807 /nfs/dbraw/zinc/15/78/07/563157807.db2.gz TXGBDGSJDNPZIL-PMERELPUSA-N 0 0 490.691 8.371 1 0 JKAFRN O=C([O-])c1ccc(C[NH+]2CCC(CNc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040935619 563157857 /nfs/dbraw/zinc/15/78/57/563157857.db2.gz BEJATXPLZDOOAA-UHFFFAOYSA-N 0 0 483.568 6.156 1 0 JKAFRN O=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccc(F)cc1 ZINC000040936433 563158038 /nfs/dbraw/zinc/15/80/38/563158038.db2.gz XDPPUMRTRIEFJR-UHFFFAOYSA-N 0 0 489.765 6.028 1 0 JKAFRN Cc1c(-c2nnc(C(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040936794 563158103 /nfs/dbraw/zinc/15/81/03/563158103.db2.gz XPHPOWANDNIGEE-UHFFFAOYSA-N 0 0 463.821 7.450 1 0 JKAFRN CCC(CC)C(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040936937 563158115 /nfs/dbraw/zinc/15/81/15/563158115.db2.gz OTICBSRWVMGHFT-UHFFFAOYSA-N 0 0 478.807 6.501 1 0 JKAFRN CSc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N)n2)cc1 ZINC000040938154 563158380 /nfs/dbraw/zinc/15/83/80/563158380.db2.gz LMEQPSNNMMDPOC-UHFFFAOYSA-N 0 0 470.001 7.060 1 0 JKAFRN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000040938568 563158523 /nfs/dbraw/zinc/15/85/23/563158523.db2.gz OODZGQKGPAZXKN-OVCLIPMQSA-N 0 0 472.957 5.737 1 0 JKAFRN Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@@H](C)c3ccccc3)[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000040939482 563158677 /nfs/dbraw/zinc/15/86/77/563158677.db2.gz KLPLLAIWTCDWIR-CAQRMWTPSA-N 0 0 486.615 6.065 1 0 JKAFRN O=c1[nH]c(=S)[nH]c(-c2ccc(I)cc2)c1Cc1c(O)ccc2ccccc21 ZINC000040949479 563159227 /nfs/dbraw/zinc/15/92/27/563159227.db2.gz DNCUONITESSTCU-UHFFFAOYSA-N 0 0 486.334 5.154 1 0 JKAFRN CCO[C@H](Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000040950280 563159411 /nfs/dbraw/zinc/15/94/11/563159411.db2.gz ZBJYTLVBCAOWHI-XMMPIXPASA-N 0 0 478.416 5.584 1 0 JKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(CO)CC[C@](C)(CO)C[C@H]4[C@]3(C)CC[C@]12C ZINC000040951164 563159550 /nfs/dbraw/zinc/15/95/50/563159550.db2.gz ZMSNKXDPESNSSS-SZZHBACVSA-N 0 0 458.727 6.402 1 0 JKAFRN COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)c1O ZINC000040951635 563159659 /nfs/dbraw/zinc/15/96/59/563159659.db2.gz UHXRUTRCOYCXAF-ZPHGPSORSA-N 0 0 486.649 5.443 1 0 JKAFRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCOCC1 ZINC000040952072 563159818 /nfs/dbraw/zinc/15/98/18/563159818.db2.gz MYAXIGMVLGBAPJ-JOCHJYFZSA-N 0 0 498.636 5.498 1 0 JKAFRN Clc1cccc([C@@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)c1Cl ZINC000040952449 563159959 /nfs/dbraw/zinc/15/99/59/563159959.db2.gz HEIGQLFKCFRMQE-FQEVSTJZSA-N 0 0 476.392 6.902 1 0 JKAFRN CN(CCCC1CCC2(CC1)OCc1ccccc12)C(=O)[C@@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040953520 563160288 /nfs/dbraw/zinc/16/02/88/563160288.db2.gz ZDWRWVXWVHMQNH-ITPIWRKBSA-N 0 0 479.571 5.605 1 0 JKAFRN Nc1cccc2c(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12 ZINC000040954029 563160347 /nfs/dbraw/zinc/16/03/47/563160347.db2.gz WUYOWTAXFIXJCN-UHFFFAOYSA-N 0 0 457.839 6.534 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC000040954753 563160548 /nfs/dbraw/zinc/16/05/48/563160548.db2.gz QPCDJCHOTBFQMW-UHFFFAOYSA-N 0 0 468.588 7.285 1 0 JKAFRN COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1 ZINC000040954961 563160638 /nfs/dbraw/zinc/16/06/38/563160638.db2.gz CVLJBLIMHPEZJC-GFCCVEGCSA-N 0 0 461.465 5.353 1 0 JKAFRN Cc1nc2ccccc2n1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000040957065 563161066 /nfs/dbraw/zinc/16/10/66/563161066.db2.gz QZIWMMWYFFSVIM-UHFFFAOYSA-N 0 0 488.422 6.906 1 0 JKAFRN CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c43)c3ccccc23)c1 ZINC000040957758 563161205 /nfs/dbraw/zinc/16/12/05/563161205.db2.gz WUSFXXWYVCRBMP-UHFFFAOYSA-N 0 0 467.529 6.138 1 0 JKAFRN O=S(=O)(Cc1ccc(Cl)cc1)N1CCC2(CC1)C[C@H](c1ccccc1)c1ccccc1O2 ZINC000040972509 563161319 /nfs/dbraw/zinc/16/13/19/563161319.db2.gz RYIVBMOXQBHRDY-XMMPIXPASA-N 0 0 468.018 5.619 1 0 JKAFRN O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)c2ccccc12 ZINC000040973474 563161512 /nfs/dbraw/zinc/16/15/12/563161512.db2.gz QGQKSPNGSXCGIN-UHFFFAOYSA-N 0 0 494.429 5.277 1 0 JKAFRN CCCC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040973491 563161525 /nfs/dbraw/zinc/16/15/25/563161525.db2.gz YNIBSVITNZOGML-UHFFFAOYSA-N 0 0 485.631 7.860 1 0 JKAFRN CCC(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1 ZINC000040973880 563161582 /nfs/dbraw/zinc/16/15/82/563161582.db2.gz XMFBNWUMFLMSQY-UHFFFAOYSA-N 0 0 489.929 5.373 1 0 JKAFRN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)c2ccccc12 ZINC000040975630 563161936 /nfs/dbraw/zinc/16/19/36/563161936.db2.gz BYUXHZWOKHWXPY-UHFFFAOYSA-N 0 0 479.418 5.860 1 0 JKAFRN CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000040979396 563162383 /nfs/dbraw/zinc/16/23/83/563162383.db2.gz CMZRLVNOSLPORR-UHFFFAOYSA-N 0 0 452.203 5.856 1 0 JKAFRN C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])c(OC3CCCCC3)c2)cc1)[NH2+]C[C@H](O)c1cccnc1 ZINC000040980860 563162533 /nfs/dbraw/zinc/16/25/33/563162533.db2.gz KMEMWHYMNSWFJN-HRFSGMKKSA-N 0 0 474.601 5.413 1 0 JKAFRN CCCCO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000042877121 563163101 /nfs/dbraw/zinc/16/31/01/563163101.db2.gz REDLNGNAWVGTOL-CBCCXFPSSA-N 0 0 486.781 7.321 1 0 JKAFRN O=C1COC(c2cccs2)(c2cccs2)c2cc(-c3ccc(F)c(Cl)c3)ccc2N1 ZINC000042878608 563163217 /nfs/dbraw/zinc/16/32/17/563163217.db2.gz JZBYYJURLHOPNX-UHFFFAOYSA-N 0 0 455.963 6.530 1 0 JKAFRN O=C1O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(c2ccc(O)cc2)C1=O ZINC000042879092 563163275 /nfs/dbraw/zinc/16/32/75/563163275.db2.gz IZHWKWVIPQQUPL-GDLZYMKVSA-N 0 0 480.516 6.117 1 0 JKAFRN COC(=O)[C@@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000042887741 563163296 /nfs/dbraw/zinc/16/32/96/563163296.db2.gz QIMIUNGNQNMMLJ-UYDCODMTSA-N 0 0 484.721 6.667 1 0 JKAFRN O=C(NC(=S)N1CCc2c1cccc2OCCCCCOc1ccc(Cl)cc1)c1cccnc1 ZINC000042990006 563163959 /nfs/dbraw/zinc/16/39/59/563163959.db2.gz ATVUYPQMFKSGPJ-UHFFFAOYSA-N 0 0 496.032 5.441 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1c2cc(O)cc(O)c2Nc2c(O)c(F)ccc2C1=O ZINC000043011142 563164077 /nfs/dbraw/zinc/16/40/77/563164077.db2.gz PVMUWGZANHKMIT-RPSHFMPKSA-N 0 0 480.580 7.066 1 0 JKAFRN CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C(F)(F)F)c1)c1ccccc1 ZINC000043011715 563164213 /nfs/dbraw/zinc/16/42/13/563164213.db2.gz NDKAPQLAIXYNGF-UHFFFAOYSA-N 0 0 495.545 5.584 1 0 JKAFRN O=C(NC(=S)N1CCc2c1cccc2OCCCCCOc1ccc(Cl)cc1)c1ccno1 ZINC000043018316 563164725 /nfs/dbraw/zinc/16/47/25/563164725.db2.gz DBMUGJYTXZUXCT-UHFFFAOYSA-N 0 0 485.993 5.034 1 0 JKAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043020194 563164881 /nfs/dbraw/zinc/16/48/81/563164881.db2.gz ARUFPYYBDQXFFW-RFZIMGSGSA-N 0 0 468.597 5.217 1 0 JKAFRN C[C@H](Nc1cc(N2CCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043022727 563165139 /nfs/dbraw/zinc/16/51/39/563165139.db2.gz LPMCTFOOPUJVJD-HTAPYJJXSA-N 0 0 485.857 6.320 1 0 JKAFRN O=C(NC(=O)c1c(F)cccc1OCc1ccccc1)NC1c2ccccc2-c2ccccc21 ZINC000043023106 563165203 /nfs/dbraw/zinc/16/52/03/563165203.db2.gz VHOQPARMSHUGKP-UHFFFAOYSA-N 0 0 452.485 5.614 1 0 JKAFRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000043061160 563165696 /nfs/dbraw/zinc/16/56/96/563165696.db2.gz FAQQXNGIELLPJC-FENZULKGSA-N 0 0 499.452 5.857 1 0 JKAFRN C[C@@H](O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn21 ZINC000043060566 563165725 /nfs/dbraw/zinc/16/57/25/563165725.db2.gz DQHIOOGYMMTCIA-OAHLLOKOSA-N 0 0 465.475 6.203 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)c1 ZINC000043061997 563165815 /nfs/dbraw/zinc/16/58/15/563165815.db2.gz MLVZYGLMGPHIKH-UHFFFAOYSA-N 0 0 488.853 5.498 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000043062830 563165920 /nfs/dbraw/zinc/16/59/20/563165920.db2.gz LAWNIAKHSWIXMG-UHFFFAOYSA-N 0 0 469.423 5.236 1 0 JKAFRN CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(Cl)c1 ZINC000043065550 563165974 /nfs/dbraw/zinc/16/59/74/563165974.db2.gz UVQZOHXIZFUYIR-UHFFFAOYSA-N 0 0 467.919 5.306 1 0 JKAFRN Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccno4)c3)cc(C(F)(F)F)c2)cn1 ZINC000043070691 563166230 /nfs/dbraw/zinc/16/62/30/563166230.db2.gz HKPQEWZZLKHASE-UHFFFAOYSA-N 0 0 469.423 5.001 1 0 JKAFRN 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Cc1cccc2[nH]c(-c3cccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)c3)nc21 ZINC000045324501 563189090 /nfs/dbraw/zinc/18/90/90/563189090.db2.gz OTLVBAYJYPJRHX-UHFFFAOYSA-N 0 0 470.580 6.076 1 0 JKAFRN C[C@H](CC(=O)NCC1(c2ccc(F)cc2Cl)CCOCC1)C(=O)c1ccc(Cl)cc1 ZINC000045324611 563189317 /nfs/dbraw/zinc/18/93/17/563189317.db2.gz XOPSOFPPOFPEIF-OAHLLOKOSA-N 0 0 452.353 5.206 1 0 JKAFRN Cc1nc(-c2cccc(Nc3nccc(NC[C@@H](O)c4ccc(C(F)(F)F)cc4)n3)c2)cs1 ZINC000045334530 563189486 /nfs/dbraw/zinc/18/94/86/563189486.db2.gz HLAACCXCMNSLLY-HXUWFJFHSA-N 0 0 471.508 5.816 1 0 JKAFRN CC(=O)Nc1cc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)ccc1C ZINC000045334717 563189641 /nfs/dbraw/zinc/18/96/41/563189641.db2.gz DDZIARQGEBMZKE-UHFFFAOYSA-N 0 0 466.566 6.478 1 0 JKAFRN Fc1cccc(Nc2nc(NCCc3ccc(Cl)cc3)nc(Nc3cccc(F)c3)n2)c1 ZINC000045334982 563189778 /nfs/dbraw/zinc/18/97/78/563189778.db2.gz FVFCDUSVUIIBOJ-UHFFFAOYSA-N 0 0 452.896 5.945 1 0 JKAFRN Cc1cccc(Cl)c1CNc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1 ZINC000045336036 563190168 /nfs/dbraw/zinc/19/01/68/563190168.db2.gz KNGGUFKZYCKQGT-UHFFFAOYSA-N 0 0 494.929 5.446 1 0 JKAFRN O=S(=O)(NCC[C@@H]1CC[C@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045336613 563190347 /nfs/dbraw/zinc/19/03/47/563190347.db2.gz HFBYNEWDVVKUEL-OYHNWAKOSA-N 0 0 487.880 6.076 1 0 JKAFRN COc1c(C(C)(C)C)cc(C(=O)Cn2c3cc(C)c(C)cc3nc2NCCCO)cc1C(C)(C)C ZINC000045337184 563190402 /nfs/dbraw/zinc/19/04/02/563190402.db2.gz BXRPBINJKFNMDK-UHFFFAOYSA-N 0 0 479.665 5.934 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045338036 563190668 /nfs/dbraw/zinc/19/06/68/563190668.db2.gz UDORVKYQAIVFHJ-MRXNPFEDSA-N 0 0 464.793 5.621 1 0 JKAFRN O=C(CCc1c[nH]cn1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045338105 563190714 /nfs/dbraw/zinc/19/07/14/563190714.db2.gz KEWIOZZGSINSIU-UHFFFAOYSA-N 0 0 475.474 6.210 1 0 JKAFRN CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc21 ZINC000045338494 563190780 /nfs/dbraw/zinc/19/07/80/563190780.db2.gz LHRNJHNQJHRXON-UHFFFAOYSA-N 0 0 456.970 5.447 1 0 JKAFRN CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(Cl)nc21 ZINC000045338490 563190796 /nfs/dbraw/zinc/19/07/96/563190796.db2.gz KMOLAOJTGUCZGO-UHFFFAOYSA-N 0 0 461.389 6.092 1 0 JKAFRN O=C(OCc1ccccc1)c1cc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1 ZINC000045338322 563190828 /nfs/dbraw/zinc/19/08/28/563190828.db2.gz XMFNEAKGSKRALO-UHFFFAOYSA-N 0 0 496.363 6.196 1 0 JKAFRN O=C(CCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 ZINC000045339425 563191078 /nfs/dbraw/zinc/19/10/78/563191078.db2.gz VLMBTTUDGMHLFS-UHFFFAOYSA-N 0 0 466.809 5.916 1 0 JKAFRN CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000045339703 563191152 /nfs/dbraw/zinc/19/11/52/563191152.db2.gz ZNCGVAYTSJUTKZ-UHFFFAOYSA-N 0 0 458.505 6.214 1 0 JKAFRN CS(=O)(=O)c1cccc(Oc2cccc(-n3c4cccc(C(F)(F)F)c4nc3C3CC3)c2)c1 ZINC000045339979 563191223 /nfs/dbraw/zinc/19/12/23/563191223.db2.gz NYORNGSRUVZKGU-UHFFFAOYSA-N 0 0 472.488 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ZINC000045355065 563192202 /nfs/dbraw/zinc/19/22/02/563192202.db2.gz HJHFCIIAOCBIPZ-UHFFFAOYSA-N 0 0 489.704 7.073 1 0 JKAFRN FC(F)Oc1ccc(-c2ccnc3cc(-c4cc(Cl)ccc4Cl)nn32)cc1OCC1CC1 ZINC000045355096 563192242 /nfs/dbraw/zinc/19/22/42/563192242.db2.gz DFAOHWKBCKGSRM-UHFFFAOYSA-N 0 0 476.310 6.760 1 0 JKAFRN CC(C)=CCCOc1cc2c(c(C)c1C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2 ZINC000045356416 563192416 /nfs/dbraw/zinc/19/24/16/563192416.db2.gz AXURMYDHNRHKGF-DADHQXDFSA-N 0 0 492.788 10.322 1 0 JKAFRN CN(Cc1ccc(I)cc1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1 ZINC000045356600 563192451 /nfs/dbraw/zinc/19/24/51/563192451.db2.gz WDSIUILPZMJHNU-UHFFFAOYSA-N 0 0 496.323 5.918 1 0 JKAFRN COCCCCCCCCCCCCCCC/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045357493 563192580 /nfs/dbraw/zinc/19/25/80/563192580.db2.gz GBSPCFNYBNTCMP-OVGLXYEQSA-N 0 0 482.702 6.288 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c43)c2)n(-c2ccccc2)n1 ZINC000045364581 563192838 /nfs/dbraw/zinc/19/28/38/563192838.db2.gz GLDPXWNDIUPOHH-UHFFFAOYSA-N 0 0 467.529 5.384 1 0 JKAFRN FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(C(F)(F)F)c4)nn32)cc1OCC1CC1 ZINC000045364558 563192841 /nfs/dbraw/zinc/19/28/41/563192841.db2.gz YHCUXIDALOCTLZ-UHFFFAOYSA-N 0 0 475.417 6.472 1 0 JKAFRN FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(N5CCCCC5)c4)nn32)cc1OCC1CC1 ZINC000045365252 563192921 /nfs/dbraw/zinc/19/29/21/563192921.db2.gz IJNLPETUFXOAMU-UHFFFAOYSA-N 0 0 490.554 6.444 1 0 JKAFRN CC(C)CCNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045365655 563193001 /nfs/dbraw/zinc/19/30/01/563193001.db2.gz KSDRPQTZVHRPOI-KNQAVFIVSA-N 0 0 489.896 6.322 1 0 JKAFRN CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/CCCCCCCCCCCCCCCO)C(=O)O1 ZINC000045365442 563193012 /nfs/dbraw/zinc/19/30/12/563193012.db2.gz DFCYEUFARMLJCI-HSPFKPFCSA-N 0 0 468.675 5.634 1 0 JKAFRN COc1cc2c(c(OC)c1CC=C(C)C)C(=O)[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 ZINC000045366721 563193153 /nfs/dbraw/zinc/19/31/53/563193153.db2.gz AXLJPECJCPNXRX-FQEVSTJZSA-N 0 0 452.547 5.491 1 0 JKAFRN COc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2cccc(Br)c2)c1 ZINC000045367096 563193207 /nfs/dbraw/zinc/19/32/07/563193207.db2.gz NXEFWXKMALZMFU-UHFFFAOYSA-N 0 0 489.321 6.517 1 0 JKAFRN O=c1[nH]c2cccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)c2[nH]1 ZINC000045367755 563193323 /nfs/dbraw/zinc/19/33/23/563193323.db2.gz IDPWBWIJHPPEBV-UHFFFAOYSA-N 0 0 483.855 5.122 1 0 JKAFRN Cc1cc([C@@H]2CCCN2C(=O)C2=C(C)Nc3ccnn3[C@H]2c2ccc(Cl)c(Cl)c2)on1 ZINC000045368644 563193390 /nfs/dbraw/zinc/19/33/90/563193390.db2.gz CEXPFQIYMPKBBS-UWJYYQICSA-N 0 0 458.349 5.139 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@@H]2c2ccncc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368594 563193447 /nfs/dbraw/zinc/19/34/47/563193447.db2.gz MXWZXJYXUPDICA-KNQAVFIVSA-N 0 0 454.361 5.238 1 0 JKAFRN CC(C)CNS(=O)(=O)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045368915 563193539 /nfs/dbraw/zinc/19/35/39/563193539.db2.gz QLBXZSFNHXEXCN-NQIIRXRSSA-N 0 0 475.869 5.932 1 0 JKAFRN C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045371484 563193750 /nfs/dbraw/zinc/19/37/50/563193750.db2.gz OOSKVSGVEVXFST-PZGXJGMVSA-N 0 0 496.095 5.439 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1ccc3c(c1)OCO3)c2NC(C)(C)CC(C)(C)C ZINC000045371320 563193788 /nfs/dbraw/zinc/19/37/88/563193788.db2.gz JBEDRYWYSWWZBW-UHFFFAOYSA-N 0 0 499.611 6.884 1 0 JKAFRN COc1ccc(-c2ccnc3cc(-c4ccc(Br)cc4)nn32)cc1OC1CCCC1 ZINC000045372075 563193861 /nfs/dbraw/zinc/19/38/61/563193861.db2.gz UMJKENQGLAEPIS-UHFFFAOYSA-N 0 0 464.363 6.156 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000045372127 563193862 /nfs/dbraw/zinc/19/38/62/563193862.db2.gz RPBJLRDUWJNQDK-NSHDSACASA-N 0 0 464.793 5.478 1 0 JKAFRN CN(Cc1cccc(I)c1)C(=O)c1cc(-c2ccc(F)cc2)c2ccccc2n1 ZINC000045372917 563193910 /nfs/dbraw/zinc/19/39/10/563193910.db2.gz VWYALVWBPQEENZ-UHFFFAOYSA-N 0 0 496.323 5.918 1 0 JKAFRN COc1ccc(C(=O)Oc2ccccc2-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)cc1 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Cc1ccsc1[C@@H]1Cc2c(C(=O)NCc3cccc(C)n3)c(=O)cc(C)n2-c2ccccc2S1 ZINC000012078608 562959123 /nfs/dbraw/zinc/95/91/23/562959123.db2.gz ORUCLXDYNPTXBQ-DEOSSOPVSA-N 0 0 487.650 5.539 1 0 JKAFRN Cc1cc(=O)c(C(=O)NCCCc2ccncc2)c2n1-c1ccccc1S[C@@H](c1cccs1)C2 ZINC000012080221 562959157 /nfs/dbraw/zinc/95/91/57/562959157.db2.gz HGSGIIHGXSVRGQ-RUZDIDTESA-N 0 0 487.650 5.355 1 0 JKAFRN Cc1cc(=O)c(C(=O)NCCCc2ccncc2)c2n1-c1ccccc1S[C@H](c1cccs1)C2 ZINC000012080220 562959186 /nfs/dbraw/zinc/95/91/86/562959186.db2.gz HGSGIIHGXSVRGQ-VWLOTQADSA-N 0 0 487.650 5.355 1 0 JKAFRN COc1cccc(-c2nc3cc4c(cc3cc2CN(C(=O)c2csc(C)n2)C2CC2)CCC4)c1OC ZINC000012127127 562959268 /nfs/dbraw/zinc/95/92/68/562959268.db2.gz SFZZXPWWYLSFNU-UHFFFAOYSA-N 0 0 499.636 5.977 1 0 JKAFRN O=C(NCc1ccccc1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCc1ccccc1 ZINC000012477626 562960167 /nfs/dbraw/zinc/96/01/67/562960167.db2.gz YBVLABAKNMSACO-UHFFFAOYSA-N 0 0 493.535 5.105 3 0 JKAFRN COc1ccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2-c2ccc(OC)nc2)cc1 ZINC000012476917 562960171 /nfs/dbraw/zinc/96/01/71/562960171.db2.gz HPZVQHWBJXMLHO-UHFFFAOYSA-N 0 0 451.478 6.575 3 0 JKAFRN COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc21 ZINC000012479917 562960225 /nfs/dbraw/zinc/96/02/25/562960225.db2.gz WYPWWXMLOGNDHU-XUZZJYLKSA-N 0 0 466.537 5.659 3 0 JKAFRN Cc1ccc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012490053 562960279 /nfs/dbraw/zinc/96/02/79/562960279.db2.gz REFYSSWVJFIACT-UHFFFAOYSA-N 0 0 461.418 5.812 3 0 JKAFRN OCCCn1c2cc(Cl)c(Cl)cc2nc1[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000012490105 562960304 /nfs/dbraw/zinc/96/03/04/562960304.db2.gz GLVWXUSKTSISSX-FQEVSTJZSA-N 0 0 491.419 6.330 3 0 JKAFRN COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000012480431 562960315 /nfs/dbraw/zinc/96/03/15/562960315.db2.gz UQTCCQONDJCFRY-AZUAARDMSA-N 0 0 450.535 5.114 3 0 JKAFRN OCCCn1c(CCNc2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012490011 562960319 /nfs/dbraw/zinc/96/03/19/562960319.db2.gz KRGBQPFQKUPSDK-UHFFFAOYSA-N 0 0 480.943 5.869 3 0 JKAFRN OCCCn1c2cc(Cl)c(Cl)cc2nc1[C@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 ZINC000012490110 562960363 /nfs/dbraw/zinc/96/03/63/562960363.db2.gz GLVWXUSKTSISSX-HXUWFJFHSA-N 0 0 491.419 6.330 3 0 JKAFRN Cc1csc(N2CCC[C@H]2c2nc3cc(Cl)c(N4CCCCC4)cc3n2CCCO)n1 ZINC000012507268 562960457 /nfs/dbraw/zinc/96/04/57/562960457.db2.gz LAGPHJAPKREGHO-IBGZPJMESA-N 0 0 460.047 5.169 3 0 JKAFRN CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000012726377 562960825 /nfs/dbraw/zinc/96/08/25/562960825.db2.gz YHGVYECWZWIVJC-QEFZUCKTSA-N 0 0 458.727 6.112 3 0 JKAFRN CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000012726371 562960830 /nfs/dbraw/zinc/96/08/30/562960830.db2.gz YHGVYECWZWIVJC-MZGFOBBZSA-N 0 0 458.727 6.112 3 0 JKAFRN CC(C)(C)OC(=O)N1c2ncccc2OC=C1OP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000012947789 562961034 /nfs/dbraw/zinc/96/10/34/562961034.db2.gz WOROZGQLALOKOB-UHFFFAOYSA-N 0 0 482.429 6.297 1 0 JKAFRN COc1cc(-c2[nH]ccc2Cl)oc1C1=C2N=C3C=C2[C@H](C(C)C)[C@H]1CCCCCCCC3 ZINC000012971207 562961048 /nfs/dbraw/zinc/96/10/48/562961048.db2.gz AKRWVQHAEBBOTI-WZONZLPQSA-N 0 0 453.026 8.065 1 0 JKAFRN O=C1c2cc(O)cc3oc(-c4ccc(O)cc4)c(c32)-c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1 ZINC000013358371 562962065 /nfs/dbraw/zinc/96/20/65/562962065.db2.gz HMIFNEKPRFKIQX-QHCPKHFHSA-N 0 0 466.445 5.623 1 0 JKAFRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2c(cccc2OCc2ccccc2)o1 ZINC000013438191 562962613 /nfs/dbraw/zinc/96/26/13/562962613.db2.gz CKXRKPMRRNYIGS-QHCPKHFHSA-N 0 0 458.514 5.541 1 0 JKAFRN C[C@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1 ZINC000013439006 562962689 /nfs/dbraw/zinc/96/26/89/562962689.db2.gz YIZJKOHNEXJBBV-LJQANCHMSA-N 0 0 454.521 5.973 1 0 JKAFRN C[C@H](Nc1nccc(-c2cc(N(C)C)nnc2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000013439140 562962718 /nfs/dbraw/zinc/96/27/18/562962718.db2.gz GXRLJHPCFBRKQO-INIZCTEOSA-N 0 0 464.495 5.859 1 0 JKAFRN COc1cc(/C=C/C(=O)Nc2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 ZINC000013439076 562962755 /nfs/dbraw/zinc/96/27/55/562962755.db2.gz HXTHOZHVVHLUTL-KPKJPENVSA-N 0 0 481.976 6.417 1 0 JKAFRN CCCCc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCN(CCc3cncn3C2)CC1=O ZINC000013440913 562963256 /nfs/dbraw/zinc/96/32/56/562963256.db2.gz VBTFFQXCBWFXEN-UHFFFAOYSA-N 0 0 480.612 5.424 1 0 JKAFRN CCNC(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000013442029 562963486 /nfs/dbraw/zinc/96/34/86/562963486.db2.gz XBBWPKPECQYWAW-RUZDIDTESA-N 0 0 459.590 5.928 1 0 JKAFRN CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442517 562963637 /nfs/dbraw/zinc/96/36/37/562963637.db2.gz DNSDEQOQPFJNQY-UHFFFAOYSA-N 0 0 463.582 6.139 1 0 JKAFRN C[C@@H]1CCCC[C@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000013454572 562964907 /nfs/dbraw/zinc/96/49/07/562964907.db2.gz FXGXACULFSOLBO-NMJGOYCLSA-N 0 0 461.606 5.133 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 ZINC000013454082 562964928 /nfs/dbraw/zinc/96/49/28/562964928.db2.gz RGFJPHVCLXSEHE-FBXCMBMLSA-N 0 0 499.655 5.379 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1c(O)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455588 562964971 /nfs/dbraw/zinc/96/49/71/562964971.db2.gz KTSDDLBDDUMCFW-SFHVURJKSA-N 0 0 466.597 5.034 1 0 JKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1O[C@H](C(C)(C)O)C2 ZINC000013461720 562965205 /nfs/dbraw/zinc/96/52/05/562965205.db2.gz GUOZFKYIHZVTRA-SVBPBHIXSA-N 0 0 476.613 6.191 1 0 biogenic,in-vitro JKAFRN CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc(Cl)cc3Cl)c(Cl)c2)CC1 ZINC000013470535 562965339 /nfs/dbraw/zinc/96/53/39/562965339.db2.gz JAUMKMDGCWUQCV-XVNBXDOJSA-N 0 0 469.821 5.502 1 0 JKAFRN COC(=O)N[C@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471180 562965547 /nfs/dbraw/zinc/96/55/47/562965547.db2.gz XIPGMFZCORQMAY-FQEVSTJZSA-N 0 0 454.448 5.448 1 0 JKAFRN O=C(Nc1ccc2c(c1)C[C@@H](NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccccc1 ZINC000013471265 562965561 /nfs/dbraw/zinc/96/55/61/562965561.db2.gz PYHWTMOCTYEEAJ-DEOSSOPVSA-N 0 0 468.578 5.052 1 0 JKAFRN COC(=O)NCC[C@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471293 562965585 /nfs/dbraw/zinc/96/55/85/562965585.db2.gz MYJNLWYXNNVJAZ-SFHVURJKSA-N 0 0 496.529 6.394 1 0 JKAFRN CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000013472864 562966073 /nfs/dbraw/zinc/96/60/73/562966073.db2.gz JDBOTXIRNSWBCG-UHFFFAOYSA-N 0 0 450.797 6.728 1 0 JKAFRN CCCCCc1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1 ZINC000013472869 562966079 /nfs/dbraw/zinc/96/60/79/562966079.db2.gz USVJZVZNSNTLGU-UHFFFAOYSA-N 0 0 465.041 6.365 1 0 JKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CCCC[C@H]23)c2c1OC1(CCCC1)C2 ZINC000013474124 562966614 /nfs/dbraw/zinc/96/66/14/562966614.db2.gz ZKVBVKZJTSAZMU-RBBKRZOGSA-N 0 0 450.623 6.018 1 0 JKAFRN CCCCCOc1nc(N)nc2ncc(/C(Br)=C(\Br)c3ccccc3)nc21 ZINC000013474479 562966749 /nfs/dbraw/zinc/96/67/49/562966749.db2.gz HTXOXBLLXYPOAT-CCEZHUSRSA-N 0 0 493.203 5.187 1 0 JKAFRN O=C(Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487483 562967788 /nfs/dbraw/zinc/96/77/88/562967788.db2.gz FPBPCDLZUPUNFJ-UHFFFAOYSA-N 0 0 459.329 6.852 1 0 JKAFRN COc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl ZINC000013487490 562967816 /nfs/dbraw/zinc/96/78/16/562967816.db2.gz FWOCSTHXTYVZQH-UHFFFAOYSA-N 0 0 471.365 6.721 1 0 JKAFRN Cc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)Nc1ccc(Cl)cc1 ZINC000013487498 562967821 /nfs/dbraw/zinc/96/78/21/562967821.db2.gz WWWVMSMDHCSDJR-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN O=C(Nc1cccc(Cl)c1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487497 562967831 /nfs/dbraw/zinc/96/78/31/562967831.db2.gz RBQNRRYPSXBPJI-UHFFFAOYSA-N 0 0 475.784 7.366 1 0 JKAFRN Cc1ccc(C(=O)Nc2ccc(Cl)cc2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000013487492 562967840 /nfs/dbraw/zinc/96/78/40/562967840.db2.gz USYDFLLVKNQQSI-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN O=C(Nc1cc(F)c(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487502 562967858 /nfs/dbraw/zinc/96/78/58/562967858.db2.gz SGDDCTUYNPWDET-UHFFFAOYSA-N 0 0 493.774 7.505 1 0 JKAFRN COc1c2ccccc2sc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000013487507 562967861 /nfs/dbraw/zinc/96/78/61/562967861.db2.gz HMHDXNVPVJOWEH-UHFFFAOYSA-N 0 0 450.947 6.376 1 0 JKAFRN Cc1ccc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000013487510 562967865 /nfs/dbraw/zinc/96/78/65/562967865.db2.gz VSNGAWQSZPNZQT-UHFFFAOYSA-N 0 0 483.398 5.271 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2CCC[C@H]3C(=O)Nc4cccc2c43)cc1)c1ccccc1-c1ccccc1 ZINC000013487952 562968001 /nfs/dbraw/zinc/96/80/01/562968001.db2.gz PWXCMKYVELLZDF-RUZDIDTESA-N 0 0 487.559 6.082 1 0 JKAFRN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000013487964 562968015 /nfs/dbraw/zinc/96/80/15/562968015.db2.gz LNTRGWFSWXCQTR-NDEPHWFRSA-N 0 0 496.950 6.598 1 0 JKAFRN O=C(c1ccc(-c2ccccn2)o1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)CCO2 ZINC000013487983 562968116 /nfs/dbraw/zinc/96/81/16/562968116.db2.gz WOHTVFKCMZMJPD-MUUNZHRXSA-N 0 0 461.521 5.546 1 0 JKAFRN NC(=O)N(c1nc(-c2ccccc2F)nc2c1ncn2Cc1ccccc1)c1c(F)cccc1F ZINC000013488584 562968328 /nfs/dbraw/zinc/96/83/28/562968328.db2.gz AWOCDZSZTOHVGQ-UHFFFAOYSA-N 0 0 474.446 5.176 1 0 JKAFRN CCCCOP(=O)(CCCCC1(C(=O)OC)c2ccccc2-c2ccccc21)OCCCC ZINC000013488987 562968409 /nfs/dbraw/zinc/96/84/09/562968409.db2.gz GODHQUBWMQAEAT-UHFFFAOYSA-N 0 0 472.562 7.123 1 0 JKAFRN CCCCOP(=O)(CCCCC1(C(=O)NCCC)c2ccccc2-c2ccccc21)OCCCC ZINC000013488985 562968427 /nfs/dbraw/zinc/96/84/27/562968427.db2.gz PXZOSHHYHIKUDS-UHFFFAOYSA-N 0 0 499.632 7.476 1 0 JKAFRN [O-][n+]1ccc(C[C@H](c2ccc(Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013490137 562969148 /nfs/dbraw/zinc/96/91/48/562969148.db2.gz SJFWUGBXHICVEV-QHCPKHFHSA-N 0 0 498.476 5.883 1 0 JKAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OC2CCCCC2)cc1 ZINC000013490285 562969186 /nfs/dbraw/zinc/96/91/86/562969186.db2.gz FFHFOZANIUHLFS-SANMLTNESA-N 0 0 481.637 5.267 1 0 JKAFRN CCOc1cc2nc(CC(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490832 562969323 /nfs/dbraw/zinc/96/93/23/562969323.db2.gz GFPOCNYTLFNRFU-UHFFFAOYSA-N 0 0 462.619 6.801 1 0 JKAFRN CCOc1cc2nc(Cc3ccccc3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490820 562969353 /nfs/dbraw/zinc/96/93/53/562969353.db2.gz CGHATPTZJSKMCL-UHFFFAOYSA-N 0 0 496.636 7.194 1 0 JKAFRN CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)cc(C(F)(F)F)c3)c2cc1OCC ZINC000013490804 562969356 /nfs/dbraw/zinc/96/93/56/562969356.db2.gz WUVCLHPNBXXXBY-UHFFFAOYSA-N 0 0 474.508 6.622 1 0 JKAFRN O[C@H](CN(Cc1cccc(SC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490913 562969411 /nfs/dbraw/zinc/96/94/11/562969411.db2.gz IPVGULVLTUJMGW-OAQYLSRUSA-N 0 0 487.465 7.021 1 0 JKAFRN CC(C)(C)Oc1cccc(CN(C[C@@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490906 562969419 /nfs/dbraw/zinc/96/94/19/562969419.db2.gz KUHXSXNKGUUNBT-XMMPIXPASA-N 0 0 459.508 6.586 1 0 JKAFRN FC(F)(F)c1cccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 ZINC000013491644 562969552 /nfs/dbraw/zinc/96/95/52/562969552.db2.gz SGAILRJJEWIMSO-UHFFFAOYSA-N 0 0 462.519 5.880 1 0 JKAFRN C[S@](=O)c1ccc(CCCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491679 562969559 /nfs/dbraw/zinc/96/95/59/562969559.db2.gz NYZUGZXTJSSTMK-WJOKGBTCSA-N 0 0 451.592 5.740 1 0 JKAFRN COc1ccc(-c2c(Br)c(C(=O)NN3CCCCC3)nn2-c2ccccc2Cl)cc1 ZINC000013493231 562970224 /nfs/dbraw/zinc/97/02/24/562970224.db2.gz DTAKPJGTAAJOSF-UHFFFAOYSA-N 0 0 489.801 5.095 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493821 562970321 /nfs/dbraw/zinc/97/03/21/562970321.db2.gz HUXQGPRFJHZTRO-UHFFFAOYSA-N 0 0 489.402 7.406 1 0 JKAFRN CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc21 ZINC000013493860 562970347 /nfs/dbraw/zinc/97/03/47/562970347.db2.gz NSXBZYDTTKLTOH-UHFFFAOYSA-N 0 0 498.623 5.198 1 0 in-vitro JKAFRN COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)C)n3c2=O)c1 ZINC000013518093 562970662 /nfs/dbraw/zinc/97/06/62/562970662.db2.gz NGFMKWAYJGMWCL-UHFFFAOYSA-N 0 0 476.596 5.027 1 0 JKAFRN O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000013525845 562971411 /nfs/dbraw/zinc/97/14/11/562971411.db2.gz VGPQHQDBSBJSAG-UHFFFAOYSA-N 0 0 479.839 5.460 1 0 JKAFRN CCOc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013528719 562971909 /nfs/dbraw/zinc/97/19/09/562971909.db2.gz YDVWNTXBGIEREW-UHFFFAOYSA-N 0 0 499.571 5.184 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)sc2c1 ZINC000013533971 562972456 /nfs/dbraw/zinc/97/24/56/562972456.db2.gz NVXBXEICHMKNPN-MSOLQXFVSA-N 0 0 461.974 6.253 1 0 JKAFRN O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013534406 562972487 /nfs/dbraw/zinc/97/24/87/562972487.db2.gz ZCTVOGWWMHRQLN-ARJAWSKDSA-N 0 0 492.450 5.673 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cc(Cl)ccc1Cl ZINC000013534555 562972499 /nfs/dbraw/zinc/97/24/99/562972499.db2.gz MZJXDFWOXJVHMX-UHFFFAOYSA-N 0 0 476.363 6.256 1 0 JKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 ZINC000013534496 562972506 /nfs/dbraw/zinc/97/25/06/562972506.db2.gz JCRLOZFHVRTAAW-UHFFFAOYSA-N 0 0 450.563 6.559 1 0 JKAFRN COc1ccc2c(cnnc2Cc2c(Cl)cncc2Cl)c1/C=C/CCCc1ccccc1 ZINC000013536036 562972672 /nfs/dbraw/zinc/97/26/72/562972672.db2.gz CQNWMZNUZDLOBT-YRNVUSSQSA-N 0 0 464.396 6.967 1 0 JKAFRN COCCOc1cc2c(cc1OC)Cc1c(Nc3cc(OC)c(Cl)cc3Cl)ncnc1N2 ZINC000013538127 562972851 /nfs/dbraw/zinc/97/28/51/562972851.db2.gz XMAKXDZNYHCNHY-UHFFFAOYSA-N 0 0 477.348 5.217 1 0 JKAFRN CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(OC)c2)c2cc(N(C)C)ccc2S(=O)(=O)N1C ZINC000013553982 562973486 /nfs/dbraw/zinc/97/34/86/562973486.db2.gz XYVUGRAVQKLPPU-CLJLJLNGSA-N 0 0 488.694 5.007 1 0 JKAFRN Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000013555451 562973724 /nfs/dbraw/zinc/97/37/24/562973724.db2.gz HLNBUDHCWAOLKD-UHFFFAOYSA-N 0 0 472.397 5.145 1 0 JKAFRN CCOc1ccc(OCC)c(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)c1 ZINC000013556680 562973818 /nfs/dbraw/zinc/97/38/18/562973818.db2.gz OWIDETVYDRZGKA-RUZDIDTESA-N 0 0 453.604 6.141 1 0 JKAFRN COc1ccc(NC(=O)c2cc(NC(C)=O)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000013557985 562974174 /nfs/dbraw/zinc/97/41/74/562974174.db2.gz COJPGXCVRILRJS-UHFFFAOYSA-N 0 0 459.546 5.456 1 0 JKAFRN O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc2ccccc2c1-c1ccccc1 ZINC000013559597 562974929 /nfs/dbraw/zinc/97/49/29/562974929.db2.gz OITQQVPZHBLPSD-UHFFFAOYSA-N 0 0 474.404 6.869 1 0 JKAFRN O=S(=O)(Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1)c1ccccc1 ZINC000013560450 562975314 /nfs/dbraw/zinc/97/53/14/562975314.db2.gz BDKOCMNWFUTONP-UHFFFAOYSA-N 0 0 455.539 5.747 1 0 JKAFRN CC(C)(C)c1ccc(C[C@H](O)[C@H]2CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)cc1 ZINC000013560798 562975426 /nfs/dbraw/zinc/97/54/26/562975426.db2.gz CIIXRFPGCXAKMO-BOACMQGQSA-N 0 0 458.621 6.658 1 0 JKAFRN Cc1cc(=O)c(Oc2ccc(C(F)(F)C(F)(F)F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000013581201 562975709 /nfs/dbraw/zinc/97/57/09/562975709.db2.gz QEUGQIRULPHEGN-UHFFFAOYSA-N 0 0 474.403 5.465 1 0 JKAFRN COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013582684 562975857 /nfs/dbraw/zinc/97/58/57/562975857.db2.gz BWBYKJFTJZIURF-UHFFFAOYSA-N 0 0 462.435 5.624 1 0 JKAFRN Clc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000013582718 562975870 /nfs/dbraw/zinc/97/58/70/562975870.db2.gz SALHUFFLOPHDJC-UHFFFAOYSA-N 0 0 456.893 5.022 1 0 JKAFRN CC[C@@H](C)COc1nc2c(nc(OC[C@H](C)CC)nc2N2CCCCC2)c(N2CCCCC2)n1 ZINC000013583345 562976048 /nfs/dbraw/zinc/97/60/48/562976048.db2.gz RPAAKJWIOZOYHT-WOJBJXKFSA-N 0 0 470.662 5.250 1 0 JKAFRN CCCN(CCC)c1c(Br)c(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583128 562976071 /nfs/dbraw/zinc/97/60/71/562976071.db2.gz AYRYJGVEJDAPTP-UHFFFAOYSA-N 0 0 459.436 5.171 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3OC)[nH]c(=O)c12 ZINC000013585166 562976261 /nfs/dbraw/zinc/97/62/61/562976261.db2.gz KEUSYHWPQOSZPL-UHFFFAOYSA-N 0 0 463.752 5.231 1 0 JKAFRN Oc1ccc(-c2c(-c3cccc(O)c3)nn3c2nc(-c2ccccc2)cc3-c2ccccc2)cc1 ZINC000013585036 562976275 /nfs/dbraw/zinc/97/62/75/562976275.db2.gz YUFWHXGASVFZMN-UHFFFAOYSA-N 0 0 455.517 6.809 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(C)=O)cc3)[nH]c(=O)c12 ZINC000013585212 562976309 /nfs/dbraw/zinc/97/63/09/562976309.db2.gz NSGQRIPFMLCLFH-UHFFFAOYSA-N 0 0 490.778 5.181 1 0 JKAFRN COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)cc4)n3)c2)CCOCC1 ZINC000013585665 562976334 /nfs/dbraw/zinc/97/63/34/562976334.db2.gz CKAGNYHIHXYZET-UHFFFAOYSA-N 0 0 472.560 6.218 1 0 JKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(CCc3ccccn3)c3ccccc23)CC1 ZINC000013586270 562976562 /nfs/dbraw/zinc/97/65/62/562976562.db2.gz WXXKRBPWFRHICR-UHFFFAOYSA-N 0 0 469.585 5.236 1 0 JKAFRN CCCCC[C@](O)(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000013586444 562976598 /nfs/dbraw/zinc/97/65/98/562976598.db2.gz NBYUEJWMAQLROL-SSEXGKCCSA-N 0 0 456.630 5.388 1 0 JKAFRN Cc1cc(C[NH+]2CC(C(=O)[O-])C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000013586607 562976737 /nfs/dbraw/zinc/97/67/37/562976737.db2.gz ASTHITQJQQXIDF-UHFFFAOYSA-N 0 0 461.505 5.838 1 0 JKAFRN Cn1cnnc1[C@@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587824 562977376 /nfs/dbraw/zinc/97/73/76/562977376.db2.gz ARSPPFOBLHMDFX-MHZLTWQESA-N 0 0 489.406 5.995 1 0 JKAFRN COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccc(Br)cc1)C(C)(C)C)CC2 ZINC000013588109 562977406 /nfs/dbraw/zinc/97/74/06/562977406.db2.gz UHAYOUSNUNIKHN-FQEVSTJZSA-N 0 0 460.412 5.256 1 0 JKAFRN O=C(C[C@H]1CCc2cc(OCc3ccccc3)ccc2C1=O)N1CCC(c2ccccc2)CC1 ZINC000013588373 562977591 /nfs/dbraw/zinc/97/75/91/562977591.db2.gz VFZHAZYDXSIRHK-AREMUKBSSA-N 0 0 453.582 5.807 1 0 JKAFRN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CNC(=O)N3c2c(Cl)cccc2Cl)cc1 ZINC000013588793 562977749 /nfs/dbraw/zinc/97/77/49/562977749.db2.gz CIMIWWVPTZRFJT-UHFFFAOYSA-N 0 0 462.358 5.464 1 0 JKAFRN Cc1cn(Cc2ccc(S(C)(=O)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589713 562978203 /nfs/dbraw/zinc/97/82/03/562978203.db2.gz MMUMOZBVLCNXNZ-UHFFFAOYSA-N 0 0 488.396 5.356 1 0 JKAFRN Cc1oc(-c2ccc(SC(F)(F)F)cc2)nc1CCOc1ccc(CN(O)C(N)=O)cc1 ZINC000013603983 562978522 /nfs/dbraw/zinc/97/85/22/562978522.db2.gz SIVSOFOFVRLIPH-UHFFFAOYSA-N 0 0 467.469 5.153 1 0 JKAFRN CCCCCCN1C(=O)N(CCCCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013604420 562978596 /nfs/dbraw/zinc/97/85/96/562978596.db2.gz YKPHAYCUAMAQPA-XAZDILKDSA-N 0 0 494.720 5.829 1 0 JKAFRN Cc1ccc2cccc(NC(=O)c3cccnc3[S@](=O)C(c3ccccc3)c3ccccc3)c2n1 ZINC000013605281 562978669 /nfs/dbraw/zinc/97/86/69/562978669.db2.gz JMLIDIOJEGIWJA-DHUJRADRSA-N 0 0 477.589 6.088 1 0 JKAFRN O=C(Nc1ccc2ncccc2c1)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605277 562978671 /nfs/dbraw/zinc/97/86/71/562978671.db2.gz LJKPWDZYKCYKMH-UMSFTDKQSA-N 0 0 463.562 5.779 1 0 JKAFRN O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)CN(Cc2ccccc2)N1Cc1ccccc1 ZINC000013605827 562978741 /nfs/dbraw/zinc/97/87/41/562978741.db2.gz GURZXAWQZSNWCW-FIRIVFDPSA-N 0 0 491.635 5.514 1 0 JKAFRN c1cc(-c2cccnc2)oc1CN(Cc1ccc(-c2cccnc2)o1)Cc1ccc(-c2cccnc2)o1 ZINC000013607139 562978839 /nfs/dbraw/zinc/97/88/39/562978839.db2.gz ORRUGQHSIXFFQF-UHFFFAOYSA-N 0 0 488.547 6.854 1 0 JKAFRN CN(Cc1ccccc1)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000013607429 562978924 /nfs/dbraw/zinc/97/89/24/562978924.db2.gz QPLWUROXKVKJFO-UHFFFAOYSA-N 0 0 458.776 6.163 1 0 JKAFRN COc1ccc(Cn2cnc(N)c3nc(C(C)(C)OCc4ccsc4)nc2-3)cc1OC1CCCC1 ZINC000013609848 562979106 /nfs/dbraw/zinc/97/91/06/562979106.db2.gz XSXRBFAOTTUPHV-UHFFFAOYSA-N 0 0 493.633 5.252 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cccc(F)c4F)cc3)c2cc1OC ZINC000013610122 562979276 /nfs/dbraw/zinc/97/92/76/562979276.db2.gz FZUIMQXCCXUHPW-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611377 562979392 /nfs/dbraw/zinc/97/93/92/562979392.db2.gz RLYOMBYEKPRQCP-XIFFEERXSA-N 0 0 488.631 7.447 1 0 JKAFRN COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@](C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 ZINC000013611412 562979401 /nfs/dbraw/zinc/97/94/01/562979401.db2.gz LRYZMVUWQKWISQ-SSEXGKCCSA-N 0 0 470.613 5.509 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3cccc(-c4ccccc4)c3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611375 562979409 /nfs/dbraw/zinc/97/94/09/562979409.db2.gz RLYOMBYEKPRQCP-MGBGTMOVSA-N 0 0 488.631 7.447 1 0 JKAFRN CC(=O)N1c2ccc(CNc3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611441 562979448 /nfs/dbraw/zinc/97/94/48/562979448.db2.gz GASQGSSPMORBTB-MGBGTMOVSA-N 0 0 474.648 7.807 1 0 JKAFRN COc1ccc(-n2c(C)c(C(=O)NN3CCCCC3)nc2-c2ccc(Cl)cc2Cl)cc1 ZINC000013611861 562979472 /nfs/dbraw/zinc/97/94/72/562979472.db2.gz VZVKCHVLMNXLHW-UHFFFAOYSA-N 0 0 459.377 5.294 1 0 JKAFRN CCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611850 562979511 /nfs/dbraw/zinc/97/95/11/562979511.db2.gz RQFDHAZJXWQQBK-UHFFFAOYSA-N 0 0 477.823 6.193 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3occc3c1)N(c1ncc(-c3ccccn3)cn1)C2 ZINC000013612964 562979687 /nfs/dbraw/zinc/97/96/87/562979687.db2.gz YLQCRBXVRGQUBV-SANMLTNESA-N 0 0 457.493 5.236 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)nc1)C2 ZINC000013613013 562979723 /nfs/dbraw/zinc/97/97/23/562979723.db2.gz PQOYPPUGRGEVJD-NDEPHWFRSA-N 0 0 458.521 5.030 1 0 JKAFRN Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCCCC4)cn3)ncc12 ZINC000013641664 562980329 /nfs/dbraw/zinc/98/03/29/562980329.db2.gz MWWBIYSSYVBBPW-UHFFFAOYSA-N 0 0 483.414 5.106 1 0 JKAFRN CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1 ZINC000013643143 562980395 /nfs/dbraw/zinc/98/03/95/562980395.db2.gz UCRPVICLPLVRAG-UHFFFAOYSA-N 0 0 459.594 5.632 1 0 JKAFRN CCCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)n1 ZINC000013642425 562980414 /nfs/dbraw/zinc/98/04/14/562980414.db2.gz CZWPQBKQWPIDLE-UHFFFAOYSA-N 0 0 454.151 6.175 1 0 JKAFRN O=C([O-])c1ccc2c(c1)n(CC(=O)N1CCC([NH+]3CCC3)CC1)c(-c1ccoc1)c2C1CCCCC1 ZINC000013646696 562980746 /nfs/dbraw/zinc/98/07/46/562980746.db2.gz WCKPUYWSSRXRDF-UHFFFAOYSA-N 0 0 489.616 5.344 1 0 JKAFRN CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(C[NH+](C)C)c1 ZINC000013646675 562980765 /nfs/dbraw/zinc/98/07/65/562980765.db2.gz BNGVYMYRSHIVNQ-UHFFFAOYSA-N 0 0 461.606 5.204 1 0 JKAFRN CC[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/I)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013651798 562981827 /nfs/dbraw/zinc/98/18/27/562981827.db2.gz UYRBVLDGMNORHN-XUOOYTPCSA-N 0 0 452.376 5.564 1 0 JKAFRN CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656757 562981852 /nfs/dbraw/zinc/98/18/52/562981852.db2.gz NBIHRGRKTZYHIT-UZINWLIJSA-N 0 0 457.636 5.443 3 0 JKAFRN CCO[C@H]1OC(C(=O)N2CCCCCCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013656738 562981884 /nfs/dbraw/zinc/98/18/84/562981884.db2.gz GCYDAQYTXSKWPU-HFMPRLQTSA-N 0 0 469.544 5.247 3 0 JKAFRN CN(C[C@H](Cc1ccccc1)N(C[C@H](c1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659547 562982019 /nfs/dbraw/zinc/98/20/19/562982019.db2.gz MZMDEDGRVOLHCZ-IZZNHLLZSA-N 0 0 474.565 5.162 3 0 JKAFRN CC(=O)c1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661831 562982394 /nfs/dbraw/zinc/98/23/94/562982394.db2.gz CBSFIPZNVMHQDA-BTIIJPOSSA-N 0 0 453.557 6.751 3 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc4ccccc4c3/C=C/c3ccccc3)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013662086 562982466 /nfs/dbraw/zinc/98/24/66/562982466.db2.gz IXCSPYVIFXGDRD-FDSKXBDWSA-N 0 0 469.628 7.922 3 0 JKAFRN COc1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013662051 562982472 /nfs/dbraw/zinc/98/24/72/562982472.db2.gz PDTHXPVGGVIYNJ-NCERWRGHSA-N 0 0 471.572 6.422 3 0 JKAFRN COc1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013662034 562982475 /nfs/dbraw/zinc/98/24/75/562982475.db2.gz DZVSWFIBJVZBBT-QGUTYXHZSA-N 0 0 471.572 6.566 3 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1C ZINC000013661965 562982477 /nfs/dbraw/zinc/98/24/77/562982477.db2.gz MRBLBQQLABEGTE-OFVNPCLDSA-N 0 0 467.609 6.591 3 0 JKAFRN C[C@@]12CCC=C[C@H]1[C@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000013661878 562982479 /nfs/dbraw/zinc/98/24/79/562982479.db2.gz YGSHEEUBFNOGMP-CPUNNPSDSA-N 0 0 469.628 8.066 3 0 JKAFRN CN(C)c1ccc(-c2cc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662037 562982488 /nfs/dbraw/zinc/98/24/88/562982488.db2.gz BRJJFXGRPIFTKK-BTIIJPOSSA-N 0 0 454.589 6.615 3 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(O)cc2)[C@H]1O ZINC000013673010 562982784 /nfs/dbraw/zinc/98/27/84/562982784.db2.gz ZISCLBWDEGJRBM-JWQCQUIFSA-N 0 0 459.652 5.105 1 0 JKAFRN CCOC(=O)c1ccccc1-c1ccc(/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@@H]23)nc1 ZINC000013673166 562982834 /nfs/dbraw/zinc/98/28/34/562982834.db2.gz BVECYDMQNJEAAT-XXODKWSMSA-N 0 0 459.586 5.943 1 0 JKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Br)c2)cc1 ZINC000013673636 562982848 /nfs/dbraw/zinc/98/28/48/562982848.db2.gz VHMGFCASMVCMMO-UHFFFAOYSA-N 0 0 454.353 5.655 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4C(F)(F)F)cn3)[C@H]12 ZINC000013673164 562982862 /nfs/dbraw/zinc/98/28/62/562982862.db2.gz QRNBWXXQNYSTQE-ALOJTJLXSA-N 0 0 455.520 6.785 1 0 JKAFRN COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013673846 562982954 /nfs/dbraw/zinc/98/29/54/562982954.db2.gz AUXDTFNTACXDOW-GXHLCREISA-N 0 0 468.443 5.723 1 0 JKAFRN COC(=O)c1cccc(NC(=O)c2nc(-c3ccccc3C)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674703 562983131 /nfs/dbraw/zinc/98/31/31/562983131.db2.gz MMYPNFIVQCPGLC-UHFFFAOYSA-N 0 0 497.639 6.573 1 0 JKAFRN CNc1cccc(NC(=O)c2nc(-c3ccccc3C)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674705 562983165 /nfs/dbraw/zinc/98/31/65/562983165.db2.gz ADSZJIOMJZXYGA-UHFFFAOYSA-N 0 0 468.645 6.828 1 0 JKAFRN CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NCCO ZINC000013676060 562983278 /nfs/dbraw/zinc/98/32/78/562983278.db2.gz NEGNUTXAKVSEFY-UHFFFAOYSA-N 0 0 491.757 7.464 1 0 JKAFRN O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccc(Cl)cc1-2 ZINC000013676079 562983326 /nfs/dbraw/zinc/98/33/26/562983326.db2.gz RMJJGVJZNVHSRS-UHFFFAOYSA-N 0 0 489.834 6.119 1 0 JKAFRN CCCCOc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000013677553 562983691 /nfs/dbraw/zinc/98/36/91/562983691.db2.gz IOIZSBXRBDVPLT-UHFFFAOYSA-N 0 0 463.430 6.447 1 0 JKAFRN Cc1c(C(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000013679558 562984066 /nfs/dbraw/zinc/98/40/66/562984066.db2.gz CWSACUXIWLPICP-UHFFFAOYSA-N 0 0 493.232 6.543 1 0 JKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnnc2ccccc21 ZINC000013682675 562984259 /nfs/dbraw/zinc/98/42/59/562984259.db2.gz OQTFRMPMMJGYEC-UHFFFAOYSA-N 0 0 450.420 5.462 3 0 JKAFRN Cc1cccc(-c2nn3c(c2-c2ccc4c(c2)ncn4CCCO[C@@H]2CCCCO2)CCC3)n1 ZINC000013684201 562984346 /nfs/dbraw/zinc/98/43/46/562984346.db2.gz FEZFMQOPZJEIEX-RUZDIDTESA-N 0 0 457.578 5.150 1 0 JKAFRN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(O)c2)C1=O ZINC000013685082 562984364 /nfs/dbraw/zinc/98/43/64/562984364.db2.gz DVFKNTWLTRDSFR-UHFFFAOYSA-N 0 0 490.604 5.173 1 0 JKAFRN Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1 ZINC000013686005 562984446 /nfs/dbraw/zinc/98/44/46/562984446.db2.gz RVCXILYFOWJXDJ-UHFFFAOYSA-N 0 0 479.506 5.656 1 0 JKAFRN COC(=O)[C@@H]1Cc2c(cccc2-c2ccc(OC)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731613 562985205 /nfs/dbraw/zinc/98/52/05/562985205.db2.gz DTIJMNOQSLLVPR-LJAQVGFWSA-N 0 0 491.587 5.621 1 0 JKAFRN COC(=O)[C@@H]1Cc2c(cccc2-c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731601 562985236 /nfs/dbraw/zinc/98/52/36/562985236.db2.gz PPQXGGXAGYPULW-NDEPHWFRSA-N 0 0 461.561 5.612 1 0 JKAFRN COC(=O)CCC/C=C(\c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1cccnc1 ZINC000013733252 562985626 /nfs/dbraw/zinc/98/56/26/562985626.db2.gz AERMYTSNNRHMDS-KXEZBXAJSA-N 0 0 499.032 5.031 1 0 JKAFRN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1c2ccccc2COc2cc(Br)ccc21 ZINC000013735105 562985758 /nfs/dbraw/zinc/98/57/58/562985758.db2.gz QWTOEXSOIYJUNT-LJQANCHMSA-N 0 0 463.158 6.419 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2CSc2ccc(Br)cc21 ZINC000013735305 562985826 /nfs/dbraw/zinc/98/58/26/562985826.db2.gz LAEYNVWAHCNFTQ-VWLOTQADSA-N 0 0 494.498 8.072 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2CCc2ccc(Br)cc21 ZINC000013735327 562985867 /nfs/dbraw/zinc/98/58/67/562985867.db2.gz ULPIYDNXOGETTF-AREMUKBSSA-N 0 0 476.458 7.565 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2CSc2ccc(Br)cc21 ZINC000013735302 562985870 /nfs/dbraw/zinc/98/58/70/562985870.db2.gz LAEYNVWAHCNFTQ-RUZDIDTESA-N 0 0 494.498 8.072 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(CN3CCOCC3)c2)CCCC1 ZINC000013736880 562985914 /nfs/dbraw/zinc/98/59/14/562985914.db2.gz ONHJZSIHUMTNFF-UHFFFAOYSA-N 0 0 477.693 6.399 1 0 JKAFRN CC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013736236 562985927 /nfs/dbraw/zinc/98/59/27/562985927.db2.gz HXEVSMSRSONRKR-SFHVURJKSA-N 0 0 489.437 5.730 1 0 JKAFRN CCCCCCC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737140 562986029 /nfs/dbraw/zinc/98/60/29/562986029.db2.gz AGXYPJGIDHQNSC-VWLOTQADSA-N 0 0 451.655 6.883 1 0 JKAFRN COCCCCCC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737162 562986030 /nfs/dbraw/zinc/98/60/30/562986030.db2.gz KIZJLFWKLLFMHC-VWLOTQADSA-N 0 0 467.654 6.119 1 0 JKAFRN CCCCCCC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737141 562986033 /nfs/dbraw/zinc/98/60/33/562986033.db2.gz AGXYPJGIDHQNSC-RUZDIDTESA-N 0 0 451.655 6.883 1 0 JKAFRN CC(C)=CCC[C@H](C)CC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737154 562986041 /nfs/dbraw/zinc/98/60/41/562986041.db2.gz UDKPHCIJEBYGKN-RBJSKKJNSA-N 0 0 491.720 7.685 1 0 JKAFRN COc1ccc(C(=O)N[C@](C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1 ZINC000013737248 562986096 /nfs/dbraw/zinc/98/60/96/562986096.db2.gz FJUPVSKJDPGCRW-GDLZYMKVSA-N 0 0 488.632 5.804 1 0 JKAFRN CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccc(Oc3ccc(F)cc3)cc21 ZINC000013737527 562986106 /nfs/dbraw/zinc/98/61/06/562986106.db2.gz CXQSUCQDSBTFGO-WIOPSUGQSA-N 0 0 490.560 5.084 1 0 JKAFRN COc1ccc(C(OCC[N@@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000013737908 562986337 /nfs/dbraw/zinc/98/63/37/562986337.db2.gz GWNRSBOBHVFWSC-FQEVSTJZSA-N 0 0 481.539 5.079 1 0 JKAFRN O=C(c1cccnc1Cl)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738247 562986512 /nfs/dbraw/zinc/98/65/12/562986512.db2.gz AKIQXBLVIPHQKM-UHFFFAOYSA-N 0 0 450.369 5.620 1 0 JKAFRN CCCCCN(C(=O)CCCC)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013740917 562986935 /nfs/dbraw/zinc/98/69/35/562986935.db2.gz UXPXDVPWMPHDER-QTRBIBNASA-N 0 0 458.731 6.427 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000013742124 562987192 /nfs/dbraw/zinc/98/71/92/562987192.db2.gz JQKANSBWFRBIRJ-WWBHIXJPSA-N 0 0 495.107 6.139 1 0 JKAFRN O=C(c1cn(CCN2CCOCC2)c2ccc(Br)cc12)c1cccc2ccccc21 ZINC000013742573 562987497 /nfs/dbraw/zinc/98/74/97/562987497.db2.gz JOHWHFAHBKWGNF-UHFFFAOYSA-N 0 0 463.375 5.120 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000013742746 562987593 /nfs/dbraw/zinc/98/75/93/562987593.db2.gz RNYDPMFXJQGJJP-QKONGSNMSA-N 0 0 460.540 5.557 1 0 JKAFRN Cc1cccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000013744145 562987827 /nfs/dbraw/zinc/98/78/27/562987827.db2.gz SIGVSCHWYKBBFX-KCWXNJEJSA-N 0 0 469.585 5.581 1 0 JKAFRN CCCCc1nc(C)n(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013744592 562987914 /nfs/dbraw/zinc/98/79/14/562987914.db2.gz HRXWSBDMOYRFOD-UHFFFAOYSA-N 0 0 490.611 5.381 1 0 JKAFRN CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)CCCCC1 ZINC000013755852 562988541 /nfs/dbraw/zinc/98/85/41/562988541.db2.gz WXDZEUBONDHNTB-VWLOTQADSA-N 0 0 464.606 6.057 1 0 JKAFRN CCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1 ZINC000013755592 562988542 /nfs/dbraw/zinc/98/85/42/562988542.db2.gz IHAPKVAVVGGFNM-UHFFFAOYSA-N 0 0 471.586 5.694 1 0 JKAFRN FC(F)(F)c1cccc(N2CCN(c3nc4cc(-c5ccccc5)sc4n4cccc34)CC2)c1 ZINC000013755975 562988571 /nfs/dbraw/zinc/98/85/71/562988571.db2.gz LBCCJNLNXBZJDX-UHFFFAOYSA-N 0 0 478.543 6.561 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccco1 ZINC000013759205 562989127 /nfs/dbraw/zinc/98/91/27/562989127.db2.gz CRCFIDNCPBCMHP-UHFFFAOYSA-N 0 0 456.494 5.347 1 0 JKAFRN OC1(c2cccc(COc3ccc4c(cc(Cn5ccnc5)cc4-c4ccccc4)c3)c2)CCOCC1 ZINC000013759164 562989137 /nfs/dbraw/zinc/98/91/37/562989137.db2.gz ZVKQRMTWYASLHY-UHFFFAOYSA-N 0 0 490.603 6.329 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccc(F)cc1 ZINC000013759192 562989179 /nfs/dbraw/zinc/98/91/79/562989179.db2.gz ODQXHWBQMAEXIT-UHFFFAOYSA-N 0 0 484.523 5.893 1 0 JKAFRN CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000013759894 562989289 /nfs/dbraw/zinc/98/92/89/562989289.db2.gz ASUZPWSCVLEOFK-HZHRSRAPSA-N 0 0 474.347 6.206 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)/C=C1\c2ncccc2C(=O)N1c1ccc(Cl)cc1 ZINC000013759896 562989370 /nfs/dbraw/zinc/98/93/70/562989370.db2.gz HCBTVYFCYYKDKD-HIXSDJFHSA-N 0 0 468.041 6.726 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760923 562989628 /nfs/dbraw/zinc/98/96/28/562989628.db2.gz RQWLRANAAJAQLD-IEUSDUHPSA-N 0 0 484.612 5.104 1 0 JKAFRN COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Cl)c2ccccc21 ZINC000013761267 562989782 /nfs/dbraw/zinc/98/97/82/562989782.db2.gz PKTRMJIQNXQJKK-UHFFFAOYSA-N 0 0 492.834 5.361 1 0 JKAFRN CC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778263 562991153 /nfs/dbraw/zinc/99/11/53/562991153.db2.gz KXRSPPJNBKIQMW-UHFFFAOYSA-N 0 0 457.155 5.274 1 0 JKAFRN CC(=O)N(C)c1c(Cl)cc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778267 562991169 /nfs/dbraw/zinc/99/11/69/562991169.db2.gz AYAKZDWRFVQFCP-UHFFFAOYSA-N 0 0 491.600 5.927 1 0 JKAFRN CNC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778280 562991245 /nfs/dbraw/zinc/99/12/45/562991245.db2.gz KQUYKWFSFJTMRI-UHFFFAOYSA-N 0 0 472.170 5.067 1 0 JKAFRN CCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778282 562991267 /nfs/dbraw/zinc/99/12/67/562991267.db2.gz LYBDMWJVVFGHQB-UHFFFAOYSA-N 0 0 471.182 5.664 1 0 JKAFRN CN(C)c1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 ZINC000013779056 562991335 /nfs/dbraw/zinc/99/13/35/562991335.db2.gz YCPLKISWPRNWIS-UHFFFAOYSA-N 0 0 487.401 5.481 1 0 JKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 ZINC000013780022 562991677 /nfs/dbraw/zinc/99/16/77/562991677.db2.gz RNCLWAMXMSBWEJ-UHFFFAOYSA-N 0 0 453.517 5.705 1 0 JKAFRN Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000013780031 562991682 /nfs/dbraw/zinc/99/16/82/562991682.db2.gz VGXYUVUEDMWZET-UHFFFAOYSA-N 0 0 490.390 6.564 1 0 JKAFRN C[C@@]12CCN(Cc3ccccc3)[C@H]1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000013779937 562991737 /nfs/dbraw/zinc/99/17/37/562991737.db2.gz WWDUYDXEHWHZTJ-CDZUIXILSA-N 0 0 489.619 6.807 1 0 JKAFRN Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 ZINC000013780029 562991755 /nfs/dbraw/zinc/99/17/55/562991755.db2.gz FEBJVBOYUNFEAD-UHFFFAOYSA-N 0 0 455.945 5.911 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1C[C@@H](C)CCC ZINC000013780880 562991946 /nfs/dbraw/zinc/99/19/46/562991946.db2.gz UNLIOLURVUTCAJ-ONLLFZDPSA-N 0 0 488.669 5.139 1 0 JKAFRN Cc1cc(C)c(NC(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C2CCCCCC2)c(C)c1 ZINC000013781738 562992254 /nfs/dbraw/zinc/99/22/54/562992254.db2.gz XGSPYZRAWSMUHY-UHFFFAOYSA-N 0 0 474.620 8.300 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000013781866 562992256 /nfs/dbraw/zinc/99/22/56/562992256.db2.gz TZXHHXSEUPQHDR-ZIBBHDPSSA-N 0 0 474.726 5.824 1 0 in-vivo 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COC[C@@H](Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794802 562992962 /nfs/dbraw/zinc/99/29/62/562992962.db2.gz OJRQEHDWICWRRZ-LJQANCHMSA-N 0 0 495.425 5.074 1 0 JKAFRN CCCCC(CCCC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794769 562992995 /nfs/dbraw/zinc/99/29/95/562992995.db2.gz NYRQHEOTFKTIBY-UHFFFAOYSA-N 0 0 473.463 6.566 1 0 JKAFRN COc1ccccc1N1CCN(CCc2cc(Cl)ccc2OCCc2ccccc2)CC1 ZINC000013795791 562993125 /nfs/dbraw/zinc/99/31/25/562993125.db2.gz ARATVKMWZQJWME-UHFFFAOYSA-N 0 0 451.010 5.335 1 0 JKAFRN COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(NCc2ncc[nH]2)cc1-c1cccc2ccccc21 ZINC000013796764 562993338 /nfs/dbraw/zinc/99/33/38/562993338.db2.gz NOSHRHJYDVPIAC-VWLOTQADSA-N 0 0 470.573 5.160 1 0 JKAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](CNC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798769 562993559 /nfs/dbraw/zinc/99/35/59/562993559.db2.gz PZFSUXKUZDNNGH-QHCPKHFHSA-N 0 0 499.615 5.134 1 0 JKAFRN CC(C)CNC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798716 562993564 /nfs/dbraw/zinc/99/35/64/562993564.db2.gz FOWARTUXXZEGFO-VWLOTQADSA-N 0 0 499.615 5.134 1 0 JKAFRN CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798724 562993569 /nfs/dbraw/zinc/99/35/69/562993569.db2.gz OFRROJTVRCUBIF-DEOSSOPVSA-N 0 0 499.615 5.276 1 0 JKAFRN O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803064 562994629 /nfs/dbraw/zinc/99/46/29/562994629.db2.gz TWLKTJKXGJEQLC-UHFFFAOYSA-N 0 0 458.565 5.893 1 0 JKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Cl)c(-c3cnccc3C)c1)CC2 ZINC000013806142 562995117 /nfs/dbraw/zinc/99/51/17/562995117.db2.gz JPJZJSNUFFGCEC-UHFFFAOYSA-N 0 0 461.871 6.332 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)Nc1ccc(Cl)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809397 562995652 /nfs/dbraw/zinc/99/56/52/562995652.db2.gz MLFYMBALEIQTEJ-UHFFFAOYSA-N 0 0 467.352 6.135 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)Nc1cncc(Cl)c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809413 562995670 /nfs/dbraw/zinc/99/56/70/562995670.db2.gz PSCONUWXHGTECB-UHFFFAOYSA-N 0 0 468.340 5.530 1 0 JKAFRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1-c1cccs1 ZINC000013814660 562996138 /nfs/dbraw/zinc/99/61/38/562996138.db2.gz IAXBEEZQRRFFDT-UHFFFAOYSA-N 0 0 451.779 6.148 1 0 JKAFRN O=C(CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(OCCCc2c[nH]cn2)cc1 ZINC000013814568 562996170 /nfs/dbraw/zinc/99/61/70/562996170.db2.gz YTJKKALHBMTOIM-UHFFFAOYSA-N 0 0 460.553 5.063 1 0 JKAFRN CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)Oc2ccccc2)c1C ZINC000013820786 562997596 /nfs/dbraw/zinc/99/75/96/562997596.db2.gz PRFIJCBKPKJUGQ-HKBQPEDESA-N 0 0 451.573 5.207 1 0 JKAFRN CCCCc1nnc(NCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825676 562998362 /nfs/dbraw/zinc/99/83/62/562998362.db2.gz QAWVTWNNZXQJGT-UHFFFAOYSA-N 0 0 464.577 5.128 1 0 JKAFRN CCCCc1nnc(NCc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825681 562998407 /nfs/dbraw/zinc/99/84/07/562998407.db2.gz YAWGKNOLTSAIMD-UHFFFAOYSA-N 0 0 494.603 5.137 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827556 562998641 /nfs/dbraw/zinc/99/86/41/562998641.db2.gz BEZRXKMOKQLKQE-UHFFFAOYSA-N 0 0 463.626 5.787 1 0 JKAFRN CCCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827524 562998656 /nfs/dbraw/zinc/99/86/56/562998656.db2.gz CSTKENWENAOKCJ-UHFFFAOYSA-N 0 0 463.626 5.787 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1[S@@](=O)CCCn1cnc(-c2ccccc2)c1C ZINC000013827703 562998717 /nfs/dbraw/zinc/99/87/17/562998717.db2.gz IUGWMOAJIKJTCX-MGBGTMOVSA-N 0 0 466.651 5.677 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1SCCCn1cnc(-c2ccccc2)c1C ZINC000013827700 562998720 /nfs/dbraw/zinc/99/87/20/562998720.db2.gz HDYJCJGMRCNDCV-UHFFFAOYSA-N 0 0 450.652 6.661 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1[S@](=O)CCCn1cnc(-c2ccccc2)c1C ZINC000013827706 562998753 /nfs/dbraw/zinc/99/87/53/562998753.db2.gz IUGWMOAJIKJTCX-XIFFEERXSA-N 0 0 466.651 5.677 1 0 JKAFRN Cc1cccc(OCCCn2cnc(-c3ccccc3)c2C(C)C)c1NC(=O)NCCC(C)C ZINC000013827831 562998815 /nfs/dbraw/zinc/99/88/15/562998815.db2.gz SMTLYJABEMNOOF-UHFFFAOYSA-N 0 0 462.638 6.619 1 0 JKAFRN CCCCc1nc2c(cccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828038 562998950 /nfs/dbraw/zinc/99/89/50/562998950.db2.gz ARXMRJQDGNRGDO-UHFFFAOYSA-N 0 0 466.545 5.061 1 0 JKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1cccc(NC(C)=O)c1 ZINC000013828626 562999036 /nfs/dbraw/zinc/99/90/36/562999036.db2.gz DSKBPTXZZQHPDY-MUUNZHRXSA-N 0 0 497.551 5.592 1 0 JKAFRN CCCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1 ZINC000013828649 562999038 /nfs/dbraw/zinc/99/90/38/562999038.db2.gz LUUUMPKAFPXQRW-MHZLTWQESA-N 0 0 473.573 5.599 3 0 JKAFRN CC(=O)Nc1cccc(OCc2cccc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)c1 ZINC000013828639 562999040 /nfs/dbraw/zinc/99/90/40/562999040.db2.gz UFCJRNIKZUUPQK-MHZLTWQESA-N 0 0 467.525 5.584 1 0 JKAFRN COc1ccc(OCc2cc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)ccc2OC)cc1 ZINC000013829596 562999081 /nfs/dbraw/zinc/99/90/81/562999081.db2.gz GNMRMJHARVGSIT-GDLZYMKVSA-N 0 0 480.564 6.050 1 0 JKAFRN CN(C)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000013829688 562999162 /nfs/dbraw/zinc/99/91/62/562999162.db2.gz UALRUHWFNVBSEZ-LIAFXSCVSA-N 0 0 486.659 7.629 1 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1/C=C/c1ccccc1 ZINC000013829961 562999168 /nfs/dbraw/zinc/99/91/68/562999168.db2.gz IXCSPYVIFXGDRD-SHSCONMSSA-N 0 0 469.628 7.922 1 0 JKAFRN Cc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013829765 562999174 /nfs/dbraw/zinc/99/91/74/562999174.db2.gz LVFKZAMYSADKJN-XAKOQBEISA-N 0 0 457.617 7.727 1 0 JKAFRN Cc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000013830544 562999257 /nfs/dbraw/zinc/99/92/57/562999257.db2.gz RQHUEKRKLCEMRZ-FPADFWFCSA-N 0 0 457.617 7.871 1 0 JKAFRN COc1ccc(-c2cc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830741 562999301 /nfs/dbraw/zinc/99/93/01/562999301.db2.gz DZVSWFIBJVZBBT-UFOWSGCLSA-N 0 0 471.572 6.566 1 0 JKAFRN O=[P@@]1(Oc2ccccc2)CC=C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830889 562999318 /nfs/dbraw/zinc/99/93/18/562999318.db2.gz JRAZLCWDEOMTCY-WHMAPKLYSA-N 0 0 482.516 7.222 1 0 JKAFRN CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830773 562999324 /nfs/dbraw/zinc/99/93/24/562999324.db2.gz DNDVOBNXWAHKHM-LNJOXGPJSA-N 0 0 453.557 6.607 1 0 JKAFRN O=[P@@]1(Oc2ccccc2)CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830893 562999328 /nfs/dbraw/zinc/99/93/28/562999328.db2.gz JRAZLCWDEOMTCY-BVGRYSDNSA-N 0 0 482.516 7.222 1 0 JKAFRN CC(=O)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013830836 562999341 /nfs/dbraw/zinc/99/93/41/562999341.db2.gz LDLMUEWENFMOSI-QNAFAAQRSA-N 0 0 485.627 7.621 1 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)C3CC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013831010 562999354 /nfs/dbraw/zinc/99/93/54/562999354.db2.gz FGEYVMWKHSUPNE-WDYNHAJCSA-N 0 0 498.598 5.324 1 0 JKAFRN CCCCc1nn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832646 562999919 /nfs/dbraw/zinc/99/99/19/562999919.db2.gz GBHDXMPLOOJUQY-UHFFFAOYSA-N 0 0 493.615 5.395 1 0 JKAFRN CCCCc1nn(CSc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013832710 563000007 /nfs/dbraw/zinc/00/00/07/563000007.db2.gz HWOQZBXANOJRIA-UHFFFAOYSA-N 0 0 497.628 5.033 1 0 JKAFRN C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)\c1ccc(OCc2ccccc2)cc1 ZINC000013833122 563000092 /nfs/dbraw/zinc/00/00/92/563000092.db2.gz CJSFIPSQGMXYMP-WUKNDPDISA-N 0 0 498.622 8.594 1 0 JKAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 ZINC000013833068 563000143 /nfs/dbraw/zinc/00/01/43/563000143.db2.gz VEJKRPAUHOZTNE-HKBQPEDESA-N 0 0 490.607 5.803 1 0 JKAFRN CCCN(CCC)C(=O)Cc1c2ccccc2[nH]c1-c1ccc(I)cc1 ZINC000013833101 563000147 /nfs/dbraw/zinc/00/01/47/563000147.db2.gz ZZZQIQZDYQQBQE-UHFFFAOYSA-N 0 0 460.359 5.631 1 0 JKAFRN COc1cc(CCc2ccc(-c3cc4ccccc4c4nc(C)cn43)cc2)cc(OC)c1OC ZINC000013833381 563000502 /nfs/dbraw/zinc/00/05/02/563000502.db2.gz JECYCJDICVLYQC-UHFFFAOYSA-N 0 0 452.554 6.274 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2cccc(Cl)c2)c1-c1ccc(F)cc1 ZINC000013833973 563000741 /nfs/dbraw/zinc/00/07/41/563000741.db2.gz XJJSLIQTCQSYFK-IJIRNXSHSA-N 0 0 485.983 5.884 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2ccccc2)c1-c1ccc(F)cc1 ZINC000013833972 563000750 /nfs/dbraw/zinc/00/07/50/563000750.db2.gz VRAWTYAHHFBMEC-OKRGKCMKSA-N 0 0 451.538 5.230 1 0 JKAFRN CCOc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(OCC)cc4)cn3)nc2)cc1 ZINC000013834130 563000812 /nfs/dbraw/zinc/00/08/12/563000812.db2.gz LSDMRRUOUJBOQG-UHFFFAOYSA-N 0 0 482.540 5.446 1 0 JKAFRN CC(=O)Oc1c(Cl)c(C)c(C=O)c(O)c1C/C=C(\C)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835903 563001503 /nfs/dbraw/zinc/00/15/03/563001503.db2.gz LDJPJTGWMMJZBK-QOQZTVCNSA-N 0 0 462.970 5.444 1 0 JKAFRN Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccccc3)cc2C(=O)c2ccccc2)cc1 ZINC000013838143 563001640 /nfs/dbraw/zinc/00/16/40/563001640.db2.gz LNSQSHGYBHPXNS-KNTRCKAVSA-N 0 0 474.560 6.059 1 0 JKAFRN O=C([O-])c1ccc2c(c1)[C@@H](SCC[NH+]1CCC(c3ccccc3)CC1)c1ccccc1CO2 ZINC000013861356 563002483 /nfs/dbraw/zinc/00/24/83/563002483.db2.gz RUJJCYQAYAXDRK-MHZLTWQESA-N 0 0 459.611 5.979 1 0 JKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3 ZINC000013863756 563003508 /nfs/dbraw/zinc/00/35/08/563003508.db2.gz AZKXBAPRQCXHRZ-RUZDIDTESA-N 0 0 451.488 7.470 1 0 JKAFRN Cc1ccc(CC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2C(=O)c2ccccc2)cc1 ZINC000013864042 563003854 /nfs/dbraw/zinc/00/38/54/563003854.db2.gz PPBICIWSKQFKLN-UHFFFAOYSA-N 0 0 476.576 5.979 1 0 JKAFRN O=c1ncn2nc(Sc3ccc(F)cc3Cl)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864350 563003977 /nfs/dbraw/zinc/00/39/77/563003977.db2.gz NAKJVILZJGYGJO-UHFFFAOYSA-N 0 0 452.725 6.007 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc21 ZINC000013982100 563005254 /nfs/dbraw/zinc/00/52/54/563005254.db2.gz ZSOLMBHGDASGLC-UHFFFAOYSA-N 0 0 458.525 6.726 1 0 JKAFRN COc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000013983838 563005410 /nfs/dbraw/zinc/00/54/10/563005410.db2.gz FMFPUOWQBSQZCG-UHFFFAOYSA-N 0 0 468.605 6.176 1 0 JKAFRN COc1cccc2c1[nH]c1c2c(OC)cnc1CC[C@H](OC)C(=O)c1nccc2c3ccccc3[nH]c21 ZINC000014655504 563006139 /nfs/dbraw/zinc/00/61/39/563006139.db2.gz FNSOWPJAPJEOEO-QFIPXVFZSA-N 0 0 494.551 5.593 1 0 JKAFRN COc1cnc(C(=O)C[C@@H](CO)c2ncc(OC)c3c4ccccc4[nH]c32)c2[nH]c3ccccc3c21 ZINC000014655523 563006197 /nfs/dbraw/zinc/00/61/97/563006197.db2.gz CVTVAKIKHYSXGZ-HNNXBMFYSA-N 0 0 480.524 5.112 1 0 JKAFRN FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3cccc4ncccc34)o2)c1 ZINC000014946580 563006747 /nfs/dbraw/zinc/00/67/47/563006747.db2.gz XKVJYDWEZBIGNZ-UHFFFAOYSA-N 0 0 461.447 6.227 1 0 JKAFRN CCCc1c(C(=O)OCC)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 ZINC000014954052 563007329 /nfs/dbraw/zinc/00/73/29/563007329.db2.gz VRGOWRHHJHLAFC-UHFFFAOYSA-N 0 0 454.534 5.000 1 0 JKAFRN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncccc2-c2ccncn2)c1 ZINC000014957207 563007937 /nfs/dbraw/zinc/00/79/37/563007937.db2.gz VHCQYUCVMXQFBY-UHFFFAOYSA-N 0 0 479.462 5.870 1 0 JKAFRN Cn1c2ccc(-c3nc(-c4cccs4)[nH]c3-c3cccc(OC(F)(F)F)c3)cc2n(C)c1=O ZINC000014958482 563008129 /nfs/dbraw/zinc/00/81/29/563008129.db2.gz FYXYFFJEYBXPSH-UHFFFAOYSA-N 0 0 470.476 5.561 1 0 JKAFRN O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1 ZINC000014959236 563008144 /nfs/dbraw/zinc/00/81/44/563008144.db2.gz ULBBMFAYNFDAKN-HXUWFJFHSA-N 0 0 474.870 5.207 1 0 JKAFRN CC/C=C(\C)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000014968589 563009459 /nfs/dbraw/zinc/00/94/59/563009459.db2.gz CAVTYMQSFAIXRJ-AKXZRBJUSA-N 0 0 485.649 8.441 1 0 JKAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 ZINC000014970778 563009632 /nfs/dbraw/zinc/00/96/32/563009632.db2.gz ASIJNKHQTPQFCQ-UHFFFAOYSA-N 0 0 458.543 5.071 1 0 JKAFRN O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 ZINC000014971585 563009726 /nfs/dbraw/zinc/00/97/26/563009726.db2.gz ZZVIMCAYHWMELX-NRFANRHFSA-N 0 0 458.965 5.600 1 0 JKAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3cc(Cl)ccc3o2)cc1 ZINC000014971392 563009736 /nfs/dbraw/zinc/00/97/36/563009736.db2.gz JWJMPDHKYJTJFE-QHCPKHFHSA-N 0 0 498.023 5.392 1 0 JKAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000014971388 563009752 /nfs/dbraw/zinc/00/97/52/563009752.db2.gz YVIFJVYLCZWCDY-MHZLTWQESA-N 0 0 473.617 5.146 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)cc(F)c2)c1OC ZINC000014972890 563009966 /nfs/dbraw/zinc/00/99/66/563009966.db2.gz VZTOPZAXDXYSBN-QHCPKHFHSA-N 0 0 458.461 5.371 1 0 JKAFRN CC(C)(C)c1ccc(CNC(=S)N[C@@H](c2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000014973380 563010000 /nfs/dbraw/zinc/01/00/00/563010000.db2.gz YRXUZPVHEODWGY-DEOSSOPVSA-N 0 0 499.677 5.248 1 0 in-vitro JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cccc(Cl)c2)c1OC ZINC000014972984 563010010 /nfs/dbraw/zinc/01/00/10/563010010.db2.gz KDDWANWSZBFGNC-QHCPKHFHSA-N 0 0 456.926 5.746 1 0 JKAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c4onc(N)c43)cc2)c1 ZINC000014975435 563010229 /nfs/dbraw/zinc/01/02/29/563010229.db2.gz OXMCZDPSWSPJAN-UHFFFAOYSA-N 0 0 475.524 5.001 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NN2CCCCC2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000014975734 563010271 /nfs/dbraw/zinc/01/02/71/563010271.db2.gz JMCHMHBQWJRNCS-UHFFFAOYSA-N 0 0 480.827 5.679 1 0 JKAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCCC3)c2c(=O)n(C)c1=O ZINC000014977657 563010723 /nfs/dbraw/zinc/01/07/23/563010723.db2.gz MNNQEJPFOUFJBU-UHFFFAOYSA-N 0 0 496.620 6.062 1 0 JKAFRN CCCCCc1cccc(-c2cccc(CCCC(=O)NCCc3c[nH]c4ccc(O)cc34)c2)c1 ZINC000014979724 563011066 /nfs/dbraw/zinc/01/10/66/563011066.db2.gz HPQSPNUNSDIZNW-UHFFFAOYSA-N 0 0 468.641 6.955 1 0 JKAFRN COc1cc(C)c(O)c(C/C=C(\C)C[C@H](O)/C=C(\C)CCC[C@H](C)C(=O)[C@H](O)C=C(C)C)c1 ZINC000015117577 563011191 /nfs/dbraw/zinc/01/11/91/563011191.db2.gz DDLNEFCPSLEGBF-QAKDVWKWSA-N 0 0 458.639 5.598 1 0 JKAFRN CC(C)=CCc1c2c(c(O)c3c1Oc1cc(O)c4c(c1OC3=O)C=CC(C)(C)O4)C=CC(C)(C)O2 ZINC000015252136 563011443 /nfs/dbraw/zinc/01/14/43/563011443.db2.gz REAWMYXWSLIYTD-UHFFFAOYSA-N 0 0 476.525 6.300 1 0 JKAFRN COc1c(O)c(OC)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c(O)c1OC ZINC000015216363 563011463 /nfs/dbraw/zinc/01/14/63/563011463.db2.gz SVEQTWAMENTLBK-RTWAWAEBSA-N 0 0 466.574 6.173 1 0 JKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2Cn3c4ccccc4nc3[C@@H]2N1c1ccccc1 ZINC000015933790 563011872 /nfs/dbraw/zinc/01/18/72/563011872.db2.gz VBBMAAFCQBWBOT-GKVQRAMASA-N 0 0 492.501 5.201 3 0 JKAFRN CCCn1c2cc(N3CCCCC3)c(Cl)cc2nc1[C@@H](C)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000015935266 563011937 /nfs/dbraw/zinc/01/19/37/563011937.db2.gz FVGGFMVKYQRODO-LJQANCHMSA-N 0 0 494.108 7.695 3 0 JKAFRN Cc1csc(N2CCC[C@@H]2c2nc3cc(C(F)(F)F)ccc3n2Cc2ccc(C)cc2)n1 ZINC000015935164 563011941 /nfs/dbraw/zinc/01/19/41/563011941.db2.gz MACMMCDYLITBHI-OAQYLSRUSA-N 0 0 456.537 6.518 3 0 JKAFRN O=C(N[C@H]1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1)OCc1ccccc1 ZINC000015935251 563011956 /nfs/dbraw/zinc/01/19/56/563011956.db2.gz CRKBCIORVKUUMV-UIOOFZCWSA-N 0 0 488.653 5.698 3 0 JKAFRN Cc1cccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2C(=O)OCc2ccc(O)cc2)c1 ZINC000015935776 563012003 /nfs/dbraw/zinc/01/20/03/563012003.db2.gz NVGZQZGFQKMDMY-UHFFFAOYSA-N 0 0 478.500 6.867 3 0 JKAFRN CCCCCCc1ccc(N2C[C@H](Cc3ccccc3)[C@@H](CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000015937281 563012325 /nfs/dbraw/zinc/01/23/25/563012325.db2.gz RLSXHSSUGMUXKP-LITSAYRRSA-N 0 0 468.641 6.660 3 0 JKAFRN Cc1nc(NC(=O)c2ccccc2)sc1[C@@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 ZINC000015952275 563012660 /nfs/dbraw/zinc/01/26/60/563012660.db2.gz FZUSVKIRBWLKRO-OAQYLSRUSA-N 0 0 461.465 5.642 3 0 JKAFRN O=C(C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000015953211 563012751 /nfs/dbraw/zinc/01/27/51/563012751.db2.gz BYTXABYOVNSRLR-NEKDWFFYSA-N 0 0 491.653 6.117 3 0 JKAFRN Cc1ccc(Cc2nsc(N3CCCN(C(=O)Nc4c(C(C)C)cccc4C(C)C)CC3)n2)cc1 ZINC000016514877 563013059 /nfs/dbraw/zinc/01/30/59/563013059.db2.gz DVRYKSGMGGNCGZ-UHFFFAOYSA-N 0 0 491.705 6.428 1 0 JKAFRN CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1C)C(=O)C1CCCCC1 ZINC000016433304 563013071 /nfs/dbraw/zinc/01/30/71/563013071.db2.gz LAEUYZABAFVUNK-UHFFFAOYSA-N 0 0 452.643 5.544 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C1CCCC1 ZINC000016569241 563013140 /nfs/dbraw/zinc/01/31/40/563013140.db2.gz PFRUPSJJDUUELI-LJAQVGFWSA-N 0 0 485.628 5.741 1 0 JKAFRN CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000016569400 563013145 /nfs/dbraw/zinc/01/31/45/563013145.db2.gz JZFTULYYOXZLRD-HHHXNRCGSA-N 0 0 461.581 5.726 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)CC(C)C ZINC000016569249 563013148 /nfs/dbraw/zinc/01/31/48/563013148.db2.gz KQQYVYXVARSUGV-LJAQVGFWSA-N 0 0 473.617 5.597 1 0 JKAFRN C(=C[C@@H](Sc1ccccc1)c1ccccc1)NN=C1NN=C(c2ccccc2)[C@H](c2ccccc2)N1 ZINC000017210690 563013719 /nfs/dbraw/zinc/01/37/19/563013719.db2.gz HDKXFUMPAGMDHU-LDSRNHMMSA-N 0 0 489.648 6.233 1 0 JKAFRN COc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000018125808 563014504 /nfs/dbraw/zinc/01/45/04/563014504.db2.gz GYDRQKXJGYPHAU-GYSUMVJTSA-N 0 0 456.586 6.009 1 0 JKAFRN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC ZINC000019770248 563015083 /nfs/dbraw/zinc/01/50/83/563015083.db2.gz WRVWMYCOZDLSHX-JIPXPUAJSA-N 0 0 475.585 6.105 1 0 JKAFRN COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019770247 563015122 /nfs/dbraw/zinc/01/51/22/563015122.db2.gz WRVWMYCOZDLSHX-IDISGSTGSA-N 0 0 475.585 6.105 1 0 JKAFRN COc1cc2nccc(Oc3ccc(-c4cnc(Cc5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000020149020 563015710 /nfs/dbraw/zinc/01/57/10/563015710.db2.gz IKPJWGNTDNCFPS-UHFFFAOYSA-N 0 0 497.526 5.535 1 0 in-vitro JKAFRN Cc1cnc(SC[C@@H]2CCCO2)nc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450563 563016154 /nfs/dbraw/zinc/01/61/54/563016154.db2.gz GRGGIYDUJRKSKM-RTWAWAEBSA-N 0 0 466.676 5.559 1 0 JKAFRN Fc1ccc([C@@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2Cl)cc1 ZINC000022925544 563017697 /nfs/dbraw/zinc/01/76/97/563017697.db2.gz HTXTUFOZOVYDCP-BBELGVGPSA-N 0 0 499.457 6.570 1 0 JKAFRN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022941402 563019863 /nfs/dbraw/zinc/01/98/63/563019863.db2.gz SUUFLJYOAPRJGV-KMRXNPHXSA-N 0 0 460.021 5.025 1 0 JKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(N(C)C)cc4)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025974804 563020732 /nfs/dbraw/zinc/02/07/32/563020732.db2.gz HTJGFMOWJVFHBW-UHFFFAOYSA-N 0 0 459.540 5.950 1 0 JKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4c(O)cc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025975945 563020735 /nfs/dbraw/zinc/02/07/35/563020735.db2.gz RFDGFRCCZHJVEL-UHFFFAOYSA-N 0 0 464.468 5.001 1 0 JKAFRN C[C@H](CCc1nccn1C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002223 563021311 /nfs/dbraw/zinc/02/13/11/563021311.db2.gz ISBKHZNCKMNSDC-QPOZJWKMSA-N 0 0 452.727 7.099 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2cccc(-c3ccccc3)c2)n1 ZINC000026005040 563021373 /nfs/dbraw/zinc/02/13/73/563021373.db2.gz YOKJRWMRIDYMAO-UHFFFAOYSA-N 0 0 486.457 8.163 1 0 JKAFRN CCN(c1nc(C)cc(-c2c(C)cc(C)nc2C)n1)c1c(C)cc(C(C)C)cc1Br ZINC000026005238 563021495 /nfs/dbraw/zinc/02/14/95/563021495.db2.gz PURVSUKLCQURDE-UHFFFAOYSA-N 0 0 467.455 7.125 1 0 JKAFRN CCOP(=O)(OCC)C(CCC(=O)c1ccc(NC(C)=O)cc1)P(=O)(OCC)OCC ZINC000026024401 563022053 /nfs/dbraw/zinc/02/20/53/563022053.db2.gz BXZQKHKXLPHYBV-UHFFFAOYSA-N 0 0 477.431 5.466 1 0 JKAFRN C[C@H]1c2ccccc2NC(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026167300 563023078 /nfs/dbraw/zinc/02/30/78/563023078.db2.gz IFJMTNVCZPSLCI-LBPRGKRZSA-N 0 0 459.390 5.291 1 0 JKAFRN 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C[C@@]1(C2CCCC2)Cc2cc(OCCOc3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028130242 563057233 /nfs/dbraw/zinc/05/72/33/563057233.db2.gz PTUBIEBQPUYMOO-DEOSSOPVSA-N 0 0 487.387 5.567 1 0 JKAFRN Cn1nnc(-c2ccc(COc3cc4c(c(Cl)c3Cl)C(=O)[C@@](C)(C3CCCC3)C4)cc2)n1 ZINC000028132582 563057425 /nfs/dbraw/zinc/05/74/25/563057425.db2.gz PGTVFQZTRPNNNV-XMMPIXPASA-N 0 0 471.388 5.698 1 0 JKAFRN OC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028134574 563057512 /nfs/dbraw/zinc/05/75/12/563057512.db2.gz JYSZXOVIWSXAMG-UHFFFAOYSA-N 0 0 488.531 5.651 1 0 JKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 ZINC000028138152 563057700 /nfs/dbraw/zinc/05/77/00/563057700.db2.gz ODLASSFTHORNDH-UHFFFAOYSA-N 0 0 472.372 6.225 1 0 JKAFRN O=C(/C=C/c1ccccc1)N[C@H](NC(=S)Nc1cnc2ccccc2c1)C(Cl)(Cl)Cl ZINC000028137806 563057733 /nfs/dbraw/zinc/05/77/33/563057733.db2.gz JWOCLSXERDRIPW-GNISGLHKSA-N 0 0 479.820 5.047 1 0 JKAFRN CCCN(CC1CC1)c1nc(C)nc2c1sc(=O)n2-c1ccc(C(C)C)cc1Br ZINC000028217929 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ZINC000028337402 563060107 /nfs/dbraw/zinc/06/01/07/563060107.db2.gz BLUOGHRTHJKGCJ-UHFFFAOYSA-N 0 0 485.198 6.753 1 0 JKAFRN CCCC[C@H](O)c1c(C/C=C/CO)cc2c(OC)c(OC)cc(OCc3ccccc3)c2c1OC ZINC000028337831 563060148 /nfs/dbraw/zinc/06/01/48/563060148.db2.gz QUNIORTXJOUTPT-YSESTWPTSA-N 0 0 480.601 5.759 1 0 JKAFRN NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OCc1ccccc1 ZINC000028343548 563060522 /nfs/dbraw/zinc/06/05/22/563060522.db2.gz KAMSVZKWEHOXKW-UHFFFAOYSA-N 0 0 483.782 7.054 1 0 JKAFRN CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NC ZINC000028343703 563060562 /nfs/dbraw/zinc/06/05/62/563060562.db2.gz NNWDXJFZYJCWJY-UHFFFAOYSA-N 0 0 463.792 6.914 1 0 JKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)CN2c1ccc(OC)cc1Cc1cccnc1 ZINC000028343850 563060585 /nfs/dbraw/zinc/06/05/85/563060585.db2.gz RXYFLQRXIYBRLG-UHFFFAOYSA-N 0 0 475.637 5.762 1 0 JKAFRN O=C1c2c(cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c2Cl)C[C@H]1C1CCCC1 ZINC000028344785 563060647 /nfs/dbraw/zinc/06/06/47/563060647.db2.gz 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CCCC[C@H](NC(=O)O[C@@H](C)CC1CCCCC1)C(=O)c1nc(C)c(C(=O)OCC)s1 ZINC000028358879 563061586 /nfs/dbraw/zinc/06/15/86/563061586.db2.gz ZYVNOCRLJVMROI-YJBOKZPZSA-N 0 0 452.617 5.455 1 0 JKAFRN COc1cc(CN(CCc2ccccn2)C(=O)COCc2ccccc2)ccc1OCc1ccccc1 ZINC000028360150 563061690 /nfs/dbraw/zinc/06/16/90/563061690.db2.gz DYPWBVOWUFBEGO-UHFFFAOYSA-N 0 0 496.607 5.457 1 0 JKAFRN COc1ccc(NC(=O)COc2ccc(C(=O)Nc3cccc(F)c3)c3ccccc23)cc1OC ZINC000028361019 563061692 /nfs/dbraw/zinc/06/16/92/563061692.db2.gz DGLAJSWRUYVVCY-UHFFFAOYSA-N 0 0 474.488 5.266 1 0 JKAFRN O=C(CCCCc1ccccc1)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(O)c1 ZINC000028361084 563061736 /nfs/dbraw/zinc/06/17/36/563061736.db2.gz FAKHFGARXBAUQZ-UHFFFAOYSA-N 0 0 494.635 6.351 1 0 JKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000028362121 563061782 /nfs/dbraw/zinc/06/17/82/563061782.db2.gz IXHMDDYKLDICMG-GPXOXTDOSA-N 0 0 456.483 6.510 1 0 JKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(Oc2ccccc2)cc1 ZINC000028361442 563061821 /nfs/dbraw/zinc/06/18/21/563061821.db2.gz RAFWSQNDMVDZPJ-LMERMFHRSA-N 0 0 480.583 7.283 1 0 JKAFRN COc1ccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@@H]2CCc3cc(OC)ccc3C2)cc1 ZINC000028366814 563062053 /nfs/dbraw/zinc/06/20/53/563062053.db2.gz PYEAZINXMTXMQR-NABNVEFZSA-N 0 0 465.590 5.186 1 0 JKAFRN CCCCCSCCCCCCCCCC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028368135 563062156 /nfs/dbraw/zinc/06/21/56/563062156.db2.gz KCFMHFUAXFCKIV-NVQSTNCTSA-N 0 0 482.774 9.853 1 0 JKAFRN COc1cccc(NC(=O)C[C@]2(C)[C@@H](OC(C)=O)CC[C@H]2[C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000028369096 563062214 /nfs/dbraw/zinc/06/22/14/563062214.db2.gz RLMLSHAXKUKPOE-URJGTLOMSA-N 0 0 465.590 5.186 1 0 JKAFRN COc1cc(CN(CCc2ccccn2)C(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000028369023 563062217 /nfs/dbraw/zinc/06/22/17/563062217.db2.gz WUCPBGMDXNJIMY-VMPREFPWSA-N 0 0 492.619 6.044 1 0 JKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1c(F)cccc1C(F)(F)F ZINC000028377303 563062747 /nfs/dbraw/zinc/06/27/47/563062747.db2.gz KQXZEDBBXHYDAJ-UHFFFAOYSA-N 0 0 465.472 6.225 1 0 JKAFRN COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CCCC4)cc1 ZINC000028381031 563062893 /nfs/dbraw/zinc/06/28/93/563062893.db2.gz NVOZRFNJNSYKNK-UHFFFAOYSA-N 0 0 464.612 5.636 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(Cl)c1 ZINC000028384031 563063065 /nfs/dbraw/zinc/06/30/65/563063065.db2.gz LKUSWPRPRBXYPH-UHFFFAOYSA-N 0 0 452.716 6.822 1 0 JKAFRN Cc1ccc(NC(=O)Nc2cccc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000028384330 563063116 /nfs/dbraw/zinc/06/31/16/563063116.db2.gz YCCAMNPZGLARRQ-UHFFFAOYSA-N 0 0 465.561 5.835 1 0 JKAFRN CCCC[C@H](NC(=O)OCC1(CCCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028386931 563063331 /nfs/dbraw/zinc/06/33/31/563063331.db2.gz CRPZBEVSSSRFRT-BVAGGSTKSA-N 0 0 492.660 5.911 1 0 JKAFRN CCCC[C@H](NC(=O)OCC1(CCc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000028387781 563063410 /nfs/dbraw/zinc/06/34/10/563063410.db2.gz ZFEZJCWWCISELK-RDGATRHJSA-N 0 0 478.633 5.521 1 0 JKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccc(Br)cc1 ZINC000028389788 563063495 /nfs/dbraw/zinc/06/34/95/563063495.db2.gz IPUMUDDYQLOXJK-UHFFFAOYSA-N 0 0 458.381 5.830 1 0 JKAFRN CCCCCSCCCCCCCCCC/C(=C(/CC)c1cccc(O)c1)c1ccc(O)cc1 ZINC000028390975 563063546 /nfs/dbraw/zinc/06/35/46/563063546.db2.gz XFCSPFQGKIZOQR-NVQSTNCTSA-N 0 0 482.774 9.853 1 0 JKAFRN COc1cc2c(cc1OC)[C@H](CC(c1ccccc1)c1ccccc1)N(C(=O)C1CCC1)CC2 ZINC000028394037 563063808 /nfs/dbraw/zinc/06/38/08/563063808.db2.gz HXKCMHWWTYZAIX-MHZLTWQESA-N 0 0 455.598 6.152 1 0 JKAFRN O=C([O-])C(CC[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000028396533 563063831 /nfs/dbraw/zinc/06/38/31/563063831.db2.gz SVRQKJVLFDRETN-UHFFFAOYSA-N 0 0 483.530 5.450 1 0 JKAFRN COc1cc2c(cc1Br)CCN(C(C)=O)[C@H]2CC(c1ccccc1)c1ccccc1 ZINC000028396929 563063877 /nfs/dbraw/zinc/06/38/77/563063877.db2.gz YVSYOUFSYLMGEO-VWLOTQADSA-N 0 0 464.403 6.126 1 0 JKAFRN O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000028457879 563064363 /nfs/dbraw/zinc/06/43/63/563064363.db2.gz JZGJEKUQTPUWFZ-HHHXNRCGSA-N 0 0 464.569 5.524 1 0 JKAFRN CCCCCn1ccc2c1ccc(OCCCCOc1ccc(-c3nn[nH]n3)cc1)c2CCC ZINC000028461888 563064577 /nfs/dbraw/zinc/06/45/77/563064577.db2.gz OSUMKVKUCDSNSW-UHFFFAOYSA-N 0 0 461.610 6.202 1 0 JKAFRN CCCN(CC1CC1)C(=O)c1c(CC)nc2n1c1cc(F)ccc1n2-c1c(C)cc(C)cc1C ZINC000028462581 563064732 /nfs/dbraw/zinc/06/47/32/563064732.db2.gz ICIHZXXAYWJPKR-UHFFFAOYSA-N 0 0 460.597 6.167 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(OC)c3)cc2)C(=O)NC(C)C)c1 ZINC000028465637 563064960 /nfs/dbraw/zinc/06/49/60/563064960.db2.gz SBXHHQVPVZSTNI-DTQAZKPQSA-N 0 0 458.558 5.673 1 0 JKAFRN COC(Cn1cc(-c2ccc(Cl)cc2)c([C@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1)OC ZINC000028465190 563064962 /nfs/dbraw/zinc/06/49/62/563064962.db2.gz YUSXDIAJMZXZSW-DEOSSOPVSA-N 0 0 490.818 6.568 1 0 JKAFRN COC(Cn1cc(-c2ccc(Cl)cc2)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1)OC ZINC000028465185 563064993 /nfs/dbraw/zinc/06/49/93/563064993.db2.gz YUSXDIAJMZXZSW-XMMPIXPASA-N 0 0 490.818 6.568 1 0 JKAFRN CCn1cc(-c2ccc(Cl)cc2Cl)c([C@@H](c2ccc(Cl)cc2Cl)n2ccnc2)c1 ZINC000028464514 563064995 /nfs/dbraw/zinc/06/49/95/563064995.db2.gz UCHZYJOXNDGCCF-JOCHJYFZSA-N 0 0 465.211 7.623 1 0 JKAFRN CCCN(Cc1c(C(F)(F)F)nc2n1c1ccccc1n2-c1c(C)cc(C)cc1C)CC(F)(F)F ZINC000028469792 563065175 /nfs/dbraw/zinc/06/51/75/563065175.db2.gz HPGGUCXZAKJIFQ-UHFFFAOYSA-N 0 0 496.499 6.997 1 0 JKAFRN CCCc1c2ccn(CC(C)(C)C)c2cc(OC)c1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028469482 563065183 /nfs/dbraw/zinc/06/51/83/563065183.db2.gz JWACHDPJCZPEOW-UHFFFAOYSA-N 0 0 491.636 6.067 1 0 JKAFRN CC[C@H](CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028475533 563065923 /nfs/dbraw/zinc/06/59/23/563065923.db2.gz RCQRYEYZZSADGP-NRFANRHFSA-N 0 0 464.009 6.529 1 0 JKAFRN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OCC(C)C)c2)cc1 ZINC000028476737 563065953 /nfs/dbraw/zinc/06/59/53/563065953.db2.gz XJWQHSJZWNZRDP-PMERELPUSA-N 0 0 498.667 6.660 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)C(C)C)c1 ZINC000028476882 563066076 /nfs/dbraw/zinc/06/60/76/563066076.db2.gz LFENFJYBQUTDBN-CXUHLZMHSA-N 0 0 497.513 6.628 1 0 JKAFRN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2cccc(OCC)c2)cc1 ZINC000028521414 563066445 /nfs/dbraw/zinc/06/64/45/563066445.db2.gz AHKVITFPGPOGSJ-NDEPHWFRSA-N 0 0 470.613 6.024 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@H](C(C)C)NC23CCCCCC3)c1 ZINC000028521647 563066453 /nfs/dbraw/zinc/06/64/53/563066453.db2.gz FBUZLZZNMWUSER-YKSBVNFPSA-N 0 0 452.643 5.331 1 0 JKAFRN COc1ccccc1CC(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCN(c2ccccc2)CC1 ZINC000028523055 563066740 /nfs/dbraw/zinc/06/67/40/563066740.db2.gz XHUQLKYVIKLURC-NDEPHWFRSA-N 0 0 485.672 5.215 1 0 JKAFRN Cc1nn(Cc2ccccc2)c(=O)c2nc(CC3CCCCC3)n3nc(-c4ccccc4)cc3c12 ZINC000028523562 563066863 /nfs/dbraw/zinc/06/68/63/563066863.db2.gz WAABECSMJCWCHX-UHFFFAOYSA-N 0 0 463.585 5.586 1 0 JKAFRN 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ZINC000028527079 563068121 /nfs/dbraw/zinc/06/81/21/563068121.db2.gz YNCRJUOFYKWWKH-UHFFFAOYSA-N 0 0 458.537 5.851 1 0 JKAFRN CC(C)NC(=O)c1cccc(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ccccc1Cl ZINC000028528337 563068243 /nfs/dbraw/zinc/06/82/43/563068243.db2.gz KWDYEPSLJJCGHF-UHFFFAOYSA-N 0 0 485.293 5.588 1 0 JKAFRN CS(=O)(=O)Oc1ccc(C[C@@H](CC[C@H](O)c2ccc(F)cc2)CNc2ccc(F)cc2)cc1 ZINC000028528505 563068246 /nfs/dbraw/zinc/06/82/46/563068246.db2.gz SUPURMCWVCUAIX-CLOONOSVSA-N 0 0 475.557 5.088 1 0 JKAFRN CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@@H](COCc2ccc(OC)cc2)CC3)n1 ZINC000028528539 563068270 /nfs/dbraw/zinc/06/82/70/563068270.db2.gz HYYRJELYMNIRGB-JOCHJYFZSA-N 0 0 487.579 5.681 1 0 JKAFRN C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Nc2ccc(Cl)cc2)cc1 ZINC000028528645 563068319 /nfs/dbraw/zinc/06/83/19/563068319.db2.gz YUHSVLMCHPFREM-AWEZNQCLSA-N 0 0 499.441 5.180 1 0 JKAFRN Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3nc(-c4ccc(F)cc4)n[nH]3)(CC1)CC2 ZINC000028529790 563068510 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0 458.565 5.645 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc([C@@H]3c4[nH]cnc4CCN3Cc3cccc(Cl)c3)cc2)cc1 ZINC000028820386 563080640 /nfs/dbraw/zinc/08/06/40/563080640.db2.gz FBGMBFCNXLQZOZ-HHHXNRCGSA-N 0 0 487.003 5.149 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc([C@H]3c4[nH]cnc4CCN3c3ccc4ccccc4c3)cc2)cc1 ZINC000028820394 563080644 /nfs/dbraw/zinc/08/06/44/563080644.db2.gz IISUPJSGLQBJEJ-PMERELPUSA-N 0 0 488.591 5.654 1 0 JKAFRN Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@H](C)NC(=O)Oc1ccccc1F ZINC000028821684 563080759 /nfs/dbraw/zinc/08/07/59/563080759.db2.gz LXGNTFODLNMYKQ-QFIPXVFZSA-N 0 0 485.603 7.402 1 0 JKAFRN OC1(C(F)(F)F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 ZINC000028822119 563080974 /nfs/dbraw/zinc/08/09/74/563080974.db2.gz WFSMTSDNZOMDND-UHFFFAOYSA-N 0 0 478.736 5.571 1 0 JKAFRN Cn1nc(C(F)(F)F)c(C=C2SC(=S)NC2=O)c1SCc1ccc(C(C)(C)C)cc1 ZINC000028822810 563081304 /nfs/dbraw/zinc/08/13/04/563081304.db2.gz RRSAHIMLNSKPGX-ZROIWOOFSA-N 0 0 471.595 6.358 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822971 563081447 /nfs/dbraw/zinc/08/14/47/563081447.db2.gz CLECJEAZJQUVHR-UHFFFAOYSA-N 0 0 462.571 5.570 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3cccs3)cc2)cc2ccccc21 ZINC000028822976 563081465 /nfs/dbraw/zinc/08/14/65/563081465.db2.gz UKWZKSRAHQOEFY-UHFFFAOYSA-N 0 0 482.627 5.674 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCc3ccc(-c4ccccn4)s3)cc2)cc2ccccc21 ZINC000028822977 563081475 /nfs/dbraw/zinc/08/14/75/563081475.db2.gz VWILABRIPVSCCY-UHFFFAOYSA-N 0 0 480.633 8.000 1 0 JKAFRN C[C@@H](Cc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823231 563081525 /nfs/dbraw/zinc/08/15/25/563081525.db2.gz RAFYYZKZNFJMJK-INIZCTEOSA-N 0 0 450.387 5.312 1 0 JKAFRN O=C1OC[C@H]2[C@@H]1Cc1c(F)cccc1[C@@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000028823185 563081548 /nfs/dbraw/zinc/08/15/48/563081548.db2.gz XZRSYIVDTQKOHC-AEXASODUSA-N 0 0 453.435 6.049 1 0 JKAFRN COc1ccc2cc([C@H](C)c3nnc4sc(COc5ccc(Cl)cc5Cl)nn43)ccc2c1 ZINC000028823127 563081562 /nfs/dbraw/zinc/08/15/62/563081562.db2.gz YYPNHRGIEGUKLH-ZDUSSCGKSA-N 0 0 485.396 6.385 1 0 JKAFRN COc1ccc(Nc2nnc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823391 563081628 /nfs/dbraw/zinc/08/16/28/563081628.db2.gz CLEHHLBHTRRNGM-UHFFFAOYSA-N 0 0 498.992 5.488 1 0 JKAFRN C[S@@](=O)c1ccc(-c2nc(-c3ccc4cc(-c5ccccc5)ccc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000028823971 563081704 /nfs/dbraw/zinc/08/17/04/563081704.db2.gz RJWAZQFXAPSWMZ-BHVANESWSA-N 0 0 485.612 7.363 1 0 JKAFRN C[S@@](=O)c1ccc(-c2nc(-c3ccc4cc(Br)ccc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000028823969 563081730 /nfs/dbraw/zinc/08/17/30/563081730.db2.gz ACSVHPYVIIJDNC-HKBQPEDESA-N 0 0 488.410 6.459 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccccc4Br)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824341 563081883 /nfs/dbraw/zinc/08/18/83/563081883.db2.gz VHVPXVIEXFUMML-UHFFFAOYSA-N 0 0 456.343 6.730 1 0 JKAFRN CC(C)CCn1c2ccccc2nc1CN1c2ccccc2C(=O)[C@H](Cc2ccccc2)C1=O ZINC000028824527 563081969 /nfs/dbraw/zinc/08/19/69/563081969.db2.gz UHOIBFDUKQXRIN-QHCPKHFHSA-N 0 0 451.570 5.671 1 0 JKAFRN O[C@](Cc1ccnc2ccccc12)(C[C@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826180 563082342 /nfs/dbraw/zinc/08/23/42/563082342.db2.gz QBWZUFGGKZCAOK-RRPNLBNLSA-N 0 0 453.548 6.925 1 0 JKAFRN CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CC(C)(C)C)s1 ZINC000028827419 563083181 /nfs/dbraw/zinc/08/31/81/563083181.db2.gz OTICQHIWXNAJOV-KSSFIOAISA-N 0 0 451.583 5.427 1 0 JKAFRN COc1ccc(/C=C/CSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862953 563083321 /nfs/dbraw/zinc/08/33/21/563083321.db2.gz KRAJUEMIMAQAIZ-VBROQKIQSA-N 0 0 461.414 6.351 1 0 JKAFRN CCCCCn1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc21 ZINC000028864581 563083574 /nfs/dbraw/zinc/08/35/74/563083574.db2.gz OIYKUSFYZSKAJZ-IHAPDJFTSA-N 0 0 455.042 6.180 1 0 JKAFRN O=C(NN1CCCCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000028866832 563083809 /nfs/dbraw/zinc/08/38/09/563083809.db2.gz LWRSXGGISVSEEG-NRFANRHFSA-N 0 0 465.812 5.861 1 0 JKAFRN O=C(Nc1ccccn1)c1cc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc2cn1 ZINC000028866693 563083815 /nfs/dbraw/zinc/08/38/15/563083815.db2.gz NAYCITSQFLROLI-UHFFFAOYSA-N 0 0 492.583 5.427 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)C1 ZINC000028866820 563083824 /nfs/dbraw/zinc/08/38/24/563083824.db2.gz JXTKRIQBAVYEIO-DMPWYTOCSA-N 0 0 477.823 5.717 1 0 JKAFRN NC(=O)Cc1cn(CCCOc2ccccc2)c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12 ZINC000028888450 563085087 /nfs/dbraw/zinc/08/50/87/563085087.db2.gz RNCYNYOKLQXZQZ-UHFFFAOYSA-N 0 0 476.576 6.598 1 0 JKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2cccnc2NC2CCCC2)cc1 ZINC000028890313 563085104 /nfs/dbraw/zinc/08/51/04/563085104.db2.gz GUGBOPWBFBLVMK-UHFFFAOYSA-N 0 0 455.581 6.911 1 0 JKAFRN CNc1cc(-c2cccnc2Oc2ccc(Cl)c(NC(=O)c3cccc(C(C)C)c3)c2)ccn1 ZINC000028896908 563085681 /nfs/dbraw/zinc/08/56/81/563085681.db2.gz SBRDWSXZGGLNQG-UHFFFAOYSA-N 0 0 472.976 7.007 1 0 JKAFRN CNc1cc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2C)ccn1 ZINC000028896887 563085694 /nfs/dbraw/zinc/08/56/94/563085694.db2.gz VWYXMUBOMREMIL-UHFFFAOYSA-N 0 0 452.558 6.662 1 0 JKAFRN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000028896941 563085696 /nfs/dbraw/zinc/08/56/96/563085696.db2.gz UNAOCTFENHPDFB-UHFFFAOYSA-N 0 0 479.783 5.180 1 0 JKAFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccco3)c3ccccc23)cc1 ZINC000028899807 563085952 /nfs/dbraw/zinc/08/59/52/563085952.db2.gz IRAQPRJJBNAMCP-UHFFFAOYSA-N 0 0 464.569 7.535 1 0 JKAFRN O=S(=O)(N[C@@H]1Cc2ccc(-c3cc4ccccc4n3Cc3ccccc3)cc2C1)c1ccccc1 ZINC000028949540 563086824 /nfs/dbraw/zinc/08/68/24/563086824.db2.gz XIZDVLOROQMCPV-HHHXNRCGSA-N 0 0 478.617 5.802 1 0 JKAFRN CC[C@@H](C)N(C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1)[C@H](C)CC ZINC000028950199 563086931 /nfs/dbraw/zinc/08/69/31/563086931.db2.gz QEPBKJXHUSLAOB-FGZHOGPDSA-N 0 0 466.666 7.173 1 0 JKAFRN CCCCN(CCCC)C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1 ZINC000028950190 563086951 /nfs/dbraw/zinc/08/69/51/563086951.db2.gz BNHWJUDPBCECQS-UHFFFAOYSA-N 0 0 466.666 7.176 1 0 JKAFRN O=C(Nc1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952655 563087638 /nfs/dbraw/zinc/08/76/38/563087638.db2.gz YMYRCQOLEGKIOV-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccccc2)cc1 ZINC000028952774 563087722 /nfs/dbraw/zinc/08/77/22/563087722.db2.gz MEOWPBXXYKYZSB-UHFFFAOYSA-N 0 0 457.452 6.964 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Oc2ccncn2)cc1 ZINC000028952822 563087752 /nfs/dbraw/zinc/08/77/52/563087752.db2.gz MPUCNDPOFVCYOR-UHFFFAOYSA-N 0 0 460.412 5.803 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)ns1)c1ccc(Nc2ccncn2)cc1 ZINC000028953160 563087847 /nfs/dbraw/zinc/08/78/47/563087847.db2.gz ZHEJJBDJHBLXMU-UHFFFAOYSA-N 0 0 460.416 5.149 1 0 JKAFRN CC(C)(C)OC(=O)COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000028954856 563088184 /nfs/dbraw/zinc/08/81/84/563088184.db2.gz HEIVHANJDJIHSZ-UHFFFAOYSA-N 0 0 499.429 5.246 1 0 JKAFRN CCCCCO[C@H]1c2ccccc2-c2c1c1cc(C)ccc1c(=O)n2Cc1ccc(OC)cc1 ZINC000028955741 563088298 /nfs/dbraw/zinc/08/82/98/563088298.db2.gz VXHYHENWEWGZBF-LJAQVGFWSA-N 0 0 453.582 6.643 1 0 JKAFRN CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CCCC1 ZINC000028956451 563088352 /nfs/dbraw/zinc/08/83/52/563088352.db2.gz NJISJKWUAGTCPC-AZGAKELHSA-N 0 0 458.606 6.134 1 0 JKAFRN CC(C)(C)NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccc(Cl)cn4)c3c2)cc1 ZINC000028957623 563088519 /nfs/dbraw/zinc/08/85/19/563088519.db2.gz OBLQTSBUQFNCJS-UHFFFAOYSA-N 0 0 466.994 5.771 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[C@H](NC(=O)Nc1cccc3cnccc31)CC2 ZINC000028959274 563088733 /nfs/dbraw/zinc/08/87/33/563088733.db2.gz MQYUBTNIICFEKB-AOYPEHQESA-N 0 0 467.569 5.715 1 0 JKAFRN CC(=O)Nc1nc2c(cccc2Oc2ncnc(-c3ccc(C(F)(F)F)cc3)c2N(C)C)s1 ZINC000028961092 563089046 /nfs/dbraw/zinc/08/90/46/563089046.db2.gz RFMVVZUGLVHMPC-UHFFFAOYSA-N 0 0 473.480 5.589 1 0 JKAFRN C[C@@H](O[C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961468 563089069 /nfs/dbraw/zinc/08/90/69/563089069.db2.gz YFWVRWCNZPZNDI-GQWLDOHISA-N 0 0 487.484 6.843 1 0 JKAFRN O=C(N[C@H](c1c[nH]c2ccccc21)c1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 ZINC000028973072 563089850 /nfs/dbraw/zinc/08/98/50/563089850.db2.gz CHHXCTBOTKTHGB-GDLZYMKVSA-N 0 0 498.590 5.448 1 0 JKAFRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NS(=O)(=O)C(C)C)cc1 ZINC000028978818 563090330 /nfs/dbraw/zinc/09/03/30/563090330.db2.gz DZCWKNLXXHAJCE-UHFFFAOYSA-N 0 0 497.564 5.217 1 0 JKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c1)S(C)(=O)=O ZINC000029037747 563090500 /nfs/dbraw/zinc/09/05/00/563090500.db2.gz BMTJSCXROSBKMO-UHFFFAOYSA-N 0 0 479.623 5.252 1 0 JKAFRN O=C(c1ccc(C2CCCCC2)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000029038129 563090670 /nfs/dbraw/zinc/09/06/70/563090670.db2.gz CSJKUOSSKDIIJJ-REWPJTCUSA-N 0 0 458.668 5.171 1 0 JKAFRN Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 ZINC000029038989 563090982 /nfs/dbraw/zinc/09/09/82/563090982.db2.gz AXVLWKBVIHOIQB-UHFFFAOYSA-N 0 0 452.514 5.010 1 0 JKAFRN CC(C)Nc1cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c(NC(C)C)c1 ZINC000029039995 563091247 /nfs/dbraw/zinc/09/12/47/563091247.db2.gz JJHWFSQNNDKSJU-UHFFFAOYSA-N 0 0 487.627 6.593 1 0 JKAFRN COc1ccc(-c2nn3c(cc(Cl)cc3Cl)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029040012 563091253 /nfs/dbraw/zinc/09/12/53/563091253.db2.gz UPURSWNGJDCEHG-UHFFFAOYSA-N 0 0 454.361 6.128 1 0 JKAFRN O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(-c4ccccc4)c23)c(F)c1 ZINC000029040612 563091489 /nfs/dbraw/zinc/09/14/89/563091489.db2.gz PWLNNRDAQPANDX-UHFFFAOYSA-N 0 0 499.477 5.358 1 0 JKAFRN COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CCCCC1 ZINC000029040883 563091497 /nfs/dbraw/zinc/09/14/97/563091497.db2.gz ZMDNOSKCNYLSTL-UHFFFAOYSA-N 0 0 481.592 6.616 1 0 JKAFRN COC(=O)COc1ccc(OCc2ccc3ccccc3n2)cc1C1(c2ccccc2)CCCC1 ZINC000029040875 563091500 /nfs/dbraw/zinc/09/15/00/563091500.db2.gz KCUSFILWLYWKBH-UHFFFAOYSA-N 0 0 467.565 6.226 1 0 JKAFRN C[C@H](O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 ZINC000029042637 563091906 /nfs/dbraw/zinc/09/19/06/563091906.db2.gz BHSQJJXTIHCAAO-AWEZNQCLSA-N 0 0 481.574 5.337 1 0 JKAFRN C[C@@H](OC(=O)Nc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c5ccccc5[nH]c4c21)CNC3=O ZINC000029043272 563091982 /nfs/dbraw/zinc/09/19/82/563091982.db2.gz BHLDSZDBKQRXCQ-MWTRTKDXSA-N 0 0 473.532 6.314 1 0 JKAFRN Cc1cc(NC(=O)OCc2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043558 563092014 /nfs/dbraw/zinc/09/20/14/563092014.db2.gz VXHFUPQHLAAREW-UHFFFAOYSA-N 0 0 462.937 5.616 1 0 JKAFRN CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 ZINC000029043718 563092020 /nfs/dbraw/zinc/09/20/20/563092020.db2.gz RQXPEGZKAZRDBW-UHFFFAOYSA-N 0 0 458.953 5.287 1 0 JKAFRN CCS(=O)(=O)CCCc1ccc(-c2nnc(-c3ccccc3C(F)(F)F)n2C)c(Cl)c1 ZINC000029043342 563092059 /nfs/dbraw/zinc/09/20/59/563092059.db2.gz UJJDGQZRBBVZRL-UHFFFAOYSA-N 0 0 471.932 5.189 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCC3)cc2)n(-c2ccccc2Cl)n1 ZINC000029045095 563092287 /nfs/dbraw/zinc/09/22/87/563092287.db2.gz BVPGJKJTFMYATM-UHFFFAOYSA-N 0 0 487.003 7.928 1 0 JKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1Oc1ccnn1-c1ccccc1 ZINC000029045873 563092425 /nfs/dbraw/zinc/09/24/25/563092425.db2.gz DGVWUTKVLBJZPN-UHFFFAOYSA-N 0 0 454.408 6.207 1 0 JKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Br)cc4C)cc3)oc2c(C)c1 ZINC000029048980 563092759 /nfs/dbraw/zinc/09/27/59/563092759.db2.gz HGXUTDBBEAQNHX-UHFFFAOYSA-N 0 0 465.347 6.200 1 0 JKAFRN Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc1)CCN2 ZINC000029049142 563092783 /nfs/dbraw/zinc/09/27/83/563092783.db2.gz FVARFCVQRUETKP-UHFFFAOYSA-N 0 0 475.862 5.311 1 0 JKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(OC(F)(F)F)cc4)cc3)oc2c(C)c1 ZINC000029049281 563092798 /nfs/dbraw/zinc/09/27/98/563092798.db2.gz UKHLSOJGHXUXNV-UHFFFAOYSA-N 0 0 456.420 6.028 1 0 JKAFRN Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2ccc(Cl)cc2)n1 ZINC000029051468 563093135 /nfs/dbraw/zinc/09/31/35/563093135.db2.gz GKWWLUXFMWMOIN-UHFFFAOYSA-N 0 0 461.399 6.878 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cccc2cc(OC)ccc21 ZINC000029052934 563093162 /nfs/dbraw/zinc/09/31/62/563093162.db2.gz HQBLZHWZRVRHLQ-LJAQVGFWSA-N 0 0 480.652 7.558 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3ccc4c(c3)OCO4)cc(OC)c21 ZINC000029053151 563093182 /nfs/dbraw/zinc/09/31/82/563093182.db2.gz PDRSADQDRFEGBQ-VWLOTQADSA-N 0 0 452.554 6.543 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2cc(OC)c(OC)cc2C1 ZINC000029054368 563093396 /nfs/dbraw/zinc/09/33/96/563093396.db2.gz ZMXMYHXDBFKTEV-AREMUKBSSA-N 0 0 486.656 6.335 1 0 JKAFRN CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cc(F)cc(F)c1 ZINC000029056169 563093536 /nfs/dbraw/zinc/09/35/36/563093536.db2.gz RAVRTQMDHKJJIW-UHFFFAOYSA-N 0 0 494.390 6.133 1 0 JKAFRN CN(C(=O)/C=C1\c2nc3ccccc3cc2C(=O)N1c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000029057599 563093687 /nfs/dbraw/zinc/09/36/87/563093687.db2.gz RTKWSEJAXAJHSA-HZHRSRAPSA-N 0 0 455.901 5.258 1 0 JKAFRN CCc1c(Cc2ccc(-c3ccccc3)cc2)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O ZINC000029058145 563093747 /nfs/dbraw/zinc/09/37/47/563093747.db2.gz GDWOTOJLRCQSQY-UHFFFAOYSA-N 0 0 470.594 5.574 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ncccn4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029059962 563093800 /nfs/dbraw/zinc/09/38/00/563093800.db2.gz BHGBZYFRMJHBJC-ILQPJJJHSA-N 0 0 492.663 6.884 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccncc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029060272 563093806 /nfs/dbraw/zinc/09/38/06/563093806.db2.gz MITLRWXNQOZATM-MOFFPKIDSA-N 0 0 491.675 7.489 1 0 JKAFRN C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCCC1=O ZINC000029059834 563093809 /nfs/dbraw/zinc/09/38/09/563093809.db2.gz QMKIPDAXFGAMES-QXQSKMGUSA-N 0 0 477.648 7.388 1 0 JKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1cccc(OC)c1 ZINC000029062896 563094068 /nfs/dbraw/zinc/09/40/68/563094068.db2.gz RIYORDYQDFBEES-UHFFFAOYSA-N 0 0 478.342 5.275 1 0 JKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CC1CCCCC1 ZINC000029063176 563094074 /nfs/dbraw/zinc/09/40/74/563094074.db2.gz APSWQJGGHYCBBK-UHFFFAOYSA-N 0 0 454.364 5.798 1 0 JKAFRN O=C(CSc1nnc(Cc2ccccc2Nc2c(Cl)cccc2Cl)o1)c1ccc(O)cc1 ZINC000029123147 563094151 /nfs/dbraw/zinc/09/41/51/563094151.db2.gz KDWFTKOWJRXLGE-UHFFFAOYSA-N 0 0 486.380 6.391 1 0 JKAFRN CCCCn1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)n1 ZINC000029124614 563094417 /nfs/dbraw/zinc/09/44/17/563094417.db2.gz QLMGYXYWRHBXKL-UHFFFAOYSA-N 0 0 461.784 6.262 1 0 JKAFRN Cc1c(-c2nnnn2-c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124815 563094491 /nfs/dbraw/zinc/09/44/91/563094491.db2.gz TXGXUEZYEQJBCS-UHFFFAOYSA-N 0 0 481.774 6.451 1 0 JKAFRN Cn1c(CC(=O)Nc2ccc(C(F)F)cc2)cs/c1=N\c1ccc(Br)cc1 ZINC000029125227 563094602 /nfs/dbraw/zinc/09/46/02/563094602.db2.gz HHSGTLOPBWVSGA-CLCOLTQESA-N 0 0 452.324 5.200 1 0 JKAFRN CC(=O)N(CCCN(C)C(=O)c1ccc(Oc2ccccc2)cc1)Cc1cccc(Cl)c1 ZINC000029125874 563095001 /nfs/dbraw/zinc/09/50/01/563095001.db2.gz OZLKOKCUEWLLHW-UHFFFAOYSA-N 0 0 450.966 5.643 1 0 JKAFRN CC(=O)N(CCCN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)Cc1cccc(Cl)c1 ZINC000029125875 563095023 /nfs/dbraw/zinc/09/50/23/563095023.db2.gz INLPQNNPXLZERZ-UHFFFAOYSA-N 0 0 487.021 5.192 1 0 JKAFRN CN(CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21)C(=O)c1ccccc1 ZINC000029126078 563095079 /nfs/dbraw/zinc/09/50/79/563095079.db2.gz VPTICEKUNNOCJO-UHFFFAOYSA-N 0 0 495.410 5.274 1 0 JKAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(N)sc2c1 ZINC000029126205 563095111 /nfs/dbraw/zinc/09/51/11/563095111.db2.gz DTJCCCLCHIYDDU-UHFFFAOYSA-N 0 0 470.476 5.710 1 0 JKAFRN Fc1ccc(C[C@@]23Cc4cnn(-c5ccc(F)cc5)c4C=C2CCN(c2ccccc2)C3)cc1 ZINC000029128160 563096036 /nfs/dbraw/zinc/09/60/36/563096036.db2.gz KHCJTDGBXVYTEN-LJAQVGFWSA-N 0 0 453.536 6.229 1 0 JKAFRN CCCCS(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(Cc2ccc(F)cc2)C1 ZINC000029128340 563096142 /nfs/dbraw/zinc/09/61/42/563096142.db2.gz DYZUEMUBWZBGSS-HHHXNRCGSA-N 0 0 497.611 5.155 1 0 JKAFRN CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)nc21 ZINC000029130742 563097105 /nfs/dbraw/zinc/09/71/05/563097105.db2.gz JXBJSVZAHRTBJS-UHFFFAOYSA-N 0 0 458.516 6.062 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 ZINC000029131705 563097206 /nfs/dbraw/zinc/09/72/06/563097206.db2.gz NVVVOWIGYQPMGZ-MHZLTWQESA-N 0 0 453.538 5.710 1 0 JKAFRN Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000029131918 563097220 /nfs/dbraw/zinc/09/72/20/563097220.db2.gz TZOVCAVEMDUPTE-UHFFFAOYSA-N 0 0 466.239 7.317 1 0 JKAFRN CC(C)Oc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000029131855 563097231 /nfs/dbraw/zinc/09/72/31/563097231.db2.gz FILCWTJCNLYKQZ-DEOSSOPVSA-N 0 0 453.966 5.358 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)cc(C(F)(F)F)n2)cc1 ZINC000029132288 563097317 /nfs/dbraw/zinc/09/73/17/563097317.db2.gz AHDBIGZJHQKBEY-UHFFFAOYSA-N 0 0 491.413 5.077 1 0 JKAFRN COc1ccc(-c2sc(N)c(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 ZINC000029132697 563097392 /nfs/dbraw/zinc/09/73/92/563097392.db2.gz UHKSSOQTWUELTR-UHFFFAOYSA-N 0 0 453.485 6.923 1 0 JKAFRN COc1cc(-c2cc(=O)oc3c4c(c5c(c23)OC(C)(C)C=C5)O[C@@H](C)CC4=O)cc(OC)c1OC ZINC000029132966 563097459 /nfs/dbraw/zinc/09/74/59/563097459.db2.gz KYDLFTWKHIKXNP-ZDUSSCGKSA-N 0 0 478.497 5.024 1 0 JKAFRN Cc1cccc2c1N(Cc1ccccc1)C(=O)[C@H](Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O ZINC000029133412 563097566 /nfs/dbraw/zinc/09/75/66/563097566.db2.gz AZKFUYPRWRRXSX-LJAQVGFWSA-N 0 0 499.614 5.886 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4cc(C)no4)c3)c2cc1OC ZINC000029134009 563097673 /nfs/dbraw/zinc/09/76/73/563097673.db2.gz PEVWUDKTVWGCGL-UHFFFAOYSA-N 0 0 455.470 5.746 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4cccnc4)c3)c2cc1OC ZINC000029134142 563097779 /nfs/dbraw/zinc/09/77/79/563097779.db2.gz BVGNPHZIUYGPRQ-UHFFFAOYSA-N 0 0 451.482 5.845 1 0 JKAFRN C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000029135243 563097997 /nfs/dbraw/zinc/09/79/97/563097997.db2.gz FWTLSESMESYHEC-CQSZACIVSA-N 0 0 470.426 5.426 1 0 JKAFRN COc1ccc2c(c1)nccc2Oc1ccc2c(cccc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000029134700 563098019 /nfs/dbraw/zinc/09/80/19/563098019.db2.gz BZKLUSSXEGESCM-UHFFFAOYSA-N 0 0 454.913 7.095 1 0 JKAFRN Cc1cccc(SCc2ccc3nc(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134600 563098023 /nfs/dbraw/zinc/09/80/23/563098023.db2.gz IHBOQFFLDKEZOC-UHFFFAOYSA-N 0 0 487.673 5.600 1 0 JKAFRN CN(c1ccc(NC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1)S(C)(=O)=O ZINC000029135988 563098117 /nfs/dbraw/zinc/09/81/17/563098117.db2.gz RAWGHIPYLQUDGH-UHFFFAOYSA-N 0 0 460.555 5.067 1 0 JKAFRN CCOC(=O)CCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029206407 563098369 /nfs/dbraw/zinc/09/83/69/563098369.db2.gz XWMVJWRHPJVRLG-UHFFFAOYSA-N 0 0 473.356 5.430 1 0 JKAFRN O=C1CN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CCN1c1cccc(Cl)c1 ZINC000029211705 563098578 /nfs/dbraw/zinc/09/85/78/563098578.db2.gz RAWVEDVPUJQLEN-UHFFFAOYSA-N 0 0 472.976 5.226 1 0 JKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCSc2ccc(C(=O)OCC)cc2)cc1 ZINC000029216810 563098654 /nfs/dbraw/zinc/09/86/54/563098654.db2.gz NQDWIZNLLNIYJH-UHFFFAOYSA-N 0 0 499.717 7.755 1 0 JKAFRN CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1SCC2 ZINC000029218511 563098770 /nfs/dbraw/zinc/09/87/70/563098770.db2.gz WRNIKKMHXGDLKU-UHFFFAOYSA-N 0 0 466.003 5.183 1 0 JKAFRN COc1cc2nc(-c3ccc(CP(=O)(OC(C)C)OC(C)C)cc3)nc(OC)c2cc1OC ZINC000029223181 563098871 /nfs/dbraw/zinc/09/88/71/563098871.db2.gz UGSRDQGJJYUHTQ-UHFFFAOYSA-N 0 0 474.494 5.866 1 0 JKAFRN CCCOP(=O)(OCCC)O[C@@H](c1ccc(Cl)cc1)P(=O)(OCCC)OCCC ZINC000029222089 563098890 /nfs/dbraw/zinc/09/88/90/563098890.db2.gz BDIXSUQDRMNHBJ-LJQANCHMSA-N 0 0 470.867 7.363 1 0 JKAFRN COc1cc2nc(-c3ccc(CP(=O)(OC(C)C)OC(C)C)cc3)[nH]c(=O)c2cc1OC ZINC000029223857 563098932 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Clc1ccc([C@H](CCCOc2ccccc2Br)Cn2ccnc2)c(Cl)c1 ZINC000033493853 563110620 /nfs/dbraw/zinc/11/06/20/563110620.db2.gz ZGMJMWVNQQBUJX-OAHLLOKOSA-N 0 0 454.195 6.595 1 0 JKAFRN CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc21 ZINC000033437993 563110625 /nfs/dbraw/zinc/11/06/25/563110625.db2.gz SIHZREZFYCEMBL-UHFFFAOYSA-N 0 0 471.294 5.579 1 0 JKAFRN CCC[C@@H]1C[C@@]1(CCC)[C@@H](NS(=O)(=O)c1cccc2cccnc21)c1ccc(Cl)cc1 ZINC000033363677 563110629 /nfs/dbraw/zinc/11/06/29/563110629.db2.gz NCSCJXJJUWWXEM-DCEDVJGZSA-N 0 0 457.039 6.514 1 0 JKAFRN Clc1ccc([C@H](CCCOc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 ZINC000033493849 563110631 /nfs/dbraw/zinc/11/06/31/563110631.db2.gz MMOITJLYHZUBJE-OAHLLOKOSA-N 0 0 454.195 6.595 1 0 JKAFRN O=C(OCCN1CCN(c2ccccc2)CC1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000033865152 563111142 /nfs/dbraw/zinc/11/11/42/563111142.db2.gz ROICIQOKAAEXMM-UHFFFAOYSA-N 0 0 469.507 5.428 1 0 JKAFRN O=C(OCCN1CCN(c2ccccc2)CC1)c1ccccc1Nc1cccc(OC(F)(F)F)c1 ZINC000033868117 563111162 /nfs/dbraw/zinc/11/11/62/563111162.db2.gz DRKFGXIGWCTHOD-UHFFFAOYSA-N 0 0 485.506 5.308 1 0 JKAFRN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000033895201 563111229 /nfs/dbraw/zinc/11/12/29/563111229.db2.gz LJJHZYAKZRWTNF-UIOOFZCWSA-N 0 0 461.392 7.172 1 0 JKAFRN C=C1C(=O)O[C@H]2C[C@H]1[C@H](OC(=O)/C=C/c1ccccc1)C/C(C)=C\CC/C(C)=C\CC[C@]2(C)O ZINC000033913383 563111238 /nfs/dbraw/zinc/11/12/38/563111238.db2.gz OIPLHPLXYLYNND-QRWCDKBXSA-N 0 0 464.602 5.707 1 0 JKAFRN C[C@H]([C@H](O)/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000033955582 563111315 /nfs/dbraw/zinc/11/13/15/563111315.db2.gz KIWHRCNGJTUEHJ-IBDCHPIJSA-N 0 0 458.727 6.421 1 0 JKAFRN CO/C(=C\C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000033937783 563111327 /nfs/dbraw/zinc/11/13/27/563111327.db2.gz XKTFQMCPGMTBMD-ONNZBYCWSA-N 0 0 487.691 5.818 1 0 in-vitro JKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000033990362 563111479 /nfs/dbraw/zinc/11/14/79/563111479.db2.gz NFSFOQARNFDFIM-XTJKPUCJSA-N 0 0 487.772 10.350 1 0 JKAFRN COc1ccc2nc(C(=O)COc3ccc(SCCCCCc4ccccc4)cc3)sc2c1 ZINC000033989970 563111528 /nfs/dbraw/zinc/11/15/28/563111528.db2.gz IHAKUCNWKVJWBF-UHFFFAOYSA-N 0 0 477.651 7.072 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000033999554 563111550 /nfs/dbraw/zinc/11/15/50/563111550.db2.gz SZTZUGGWPZIINA-KOSHJBKYSA-N 0 0 456.413 6.682 1 0 JKAFRN Cc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12 ZINC000033999854 563111588 /nfs/dbraw/zinc/11/15/88/563111588.db2.gz ZFKFZYAWPJMVGZ-UHFFFAOYSA-N 0 0 461.606 5.801 1 0 JKAFRN CC(C)(C)C(=O)Nc1ccc(-c2nc3n(c2-c2ccc(NC(=O)C(C)(C)C)cc2)CCS3)cc1 ZINC000034079732 563112049 /nfs/dbraw/zinc/11/20/49/563112049.db2.gz DIQHKLDRKRODCS-UHFFFAOYSA-N 0 0 476.646 6.292 1 0 JKAFRN CCOC(=O)C1=C[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1 ZINC000034131189 563112150 /nfs/dbraw/zinc/11/21/50/563112150.db2.gz QTIQMQWYXLMBMQ-DQEYMECFSA-N 0 0 482.001 5.625 3 0 JKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC)cc1 ZINC000034148334 563112238 /nfs/dbraw/zinc/11/22/38/563112238.db2.gz YVPSTKIPTCVPFJ-CRAILRFSSA-N 0 0 450.000 5.673 1 0 JKAFRN CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(CC)cc1 ZINC000034131639 563112266 /nfs/dbraw/zinc/11/22/66/563112266.db2.gz XMYYSCCHAOECOE-NSOVKSMOSA-N 0 0 489.637 5.924 3 0 JKAFRN CC(=O)O/C(=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)C1=O)C(F)(F)F ZINC000034176047 563112352 /nfs/dbraw/zinc/11/23/52/563112352.db2.gz NBJBKSDSMJNQOA-OQQZUDJISA-N 0 0 468.512 5.439 3 0 JKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000034263580 563112851 /nfs/dbraw/zinc/11/28/51/563112851.db2.gz GGJRJQAJVMFZIP-ODAROHGKSA-N 0 0 458.727 6.114 3 0 JKAFRN O=C([O-])[C@H](c1ccccc1)[NH+]1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000034324858 563113159 /nfs/dbraw/zinc/11/31/59/563113159.db2.gz DWNROPYUHGRJJG-QHCPKHFHSA-N 0 0 463.405 5.127 1 0 JKAFRN CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@](C)(C(N)=O)CC[C@]3(C)CC[C@]21C ZINC000034445795 563113657 /nfs/dbraw/zinc/11/36/57/563113657.db2.gz MWFPSTQGLCPDBV-FUQFICMISA-N 0 0 453.711 6.843 1 0 JKAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2c1c(OC)cc(C(F)(F)F)c2Br ZINC000034481802 563113745 /nfs/dbraw/zinc/11/37/45/563113745.db2.gz OIESZMZYLDBOPS-UHFFFAOYSA-N 0 0 471.317 6.263 1 0 JKAFRN O=C([O-])c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000034578330 563113842 /nfs/dbraw/zinc/11/38/42/563113842.db2.gz KTEHHVYBDNJOOG-QPLCGJKRSA-N 0 0 453.542 5.303 1 0 JKAFRN COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1c(Br)cnn1C(C)C ZINC000034643242 563114313 /nfs/dbraw/zinc/11/43/13/563114313.db2.gz UDZTXQOLLVEQRE-UHFFFAOYSA-N 0 0 463.763 6.200 1 0 JKAFRN FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ccc1-c1ncc(-c2cccc(Cl)c2)o1 ZINC000034706691 563114702 /nfs/dbraw/zinc/11/47/02/563114702.db2.gz MURRCMMNCFBVTB-UHFFFAOYSA-N 0 0 450.243 8.127 1 0 JKAFRN CC(C)(C)c1ccc(C(=O)N2[C@H](C(=O)NCc3ccccn3)CS[C@@H]2c2cccc(F)c2)cc1 ZINC000034705106 563114712 /nfs/dbraw/zinc/11/47/12/563114712.db2.gz WAUKAQAVXNKWTO-JYFHCDHNSA-N 0 0 477.605 5.091 1 0 in-vitro JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cccc4ccccc43)c3ccccc32)CC1 ZINC000034801071 563115444 /nfs/dbraw/zinc/11/54/44/563115444.db2.gz VTTMDSGFQMHASZ-UHFFFAOYSA-N 0 0 496.014 5.615 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccccc3Cl)c3ccccc32)CC1 ZINC000034801073 563115449 /nfs/dbraw/zinc/11/54/49/563115449.db2.gz DDNAXKKEJCCHMD-UHFFFAOYSA-N 0 0 480.399 5.116 1 0 JKAFRN O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034802346 563115962 /nfs/dbraw/zinc/11/59/62/563115962.db2.gz IYSLFQOZFGCFSX-UHFFFAOYSA-N 0 0 479.546 5.639 1 0 JKAFRN COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(C(=O)C2CCCCC2)C(C)C)cc1 ZINC000034859315 563117015 /nfs/dbraw/zinc/11/70/15/563117015.db2.gz VTLLAVPXORKAAO-VWLOTQADSA-N 0 0 454.636 5.048 1 0 JKAFRN CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000034891820 563117354 /nfs/dbraw/zinc/11/73/54/563117354.db2.gz FTZYFZHLBCFUHS-QGZVFWFLSA-N 0 0 456.313 5.367 1 0 JKAFRN CC(C)(C)NC(=O)[C@]1(C)CCC(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000034886795 563117402 /nfs/dbraw/zinc/11/74/02/563117402.db2.gz KYKMHFVSLSYMMG-VWLOTQADSA-N 0 0 459.034 5.156 1 0 JKAFRN Cc1noc(-c2cc(F)c(-c3c(=O)ccn4c(-c5ccc(F)cc5F)cccc34)c(F)c2)n1 ZINC000034984361 563117783 /nfs/dbraw/zinc/11/77/83/563117783.db2.gz QDLWEQNBXZYLBE-UHFFFAOYSA-N 0 0 451.379 5.548 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)CCCc1ccccc1)c1ccccc1)C(C)C ZINC000034986588 563117831 /nfs/dbraw/zinc/11/78/31/563117831.db2.gz PNEMSBZLOXDGQB-JDXGNMNLSA-N 0 0 485.672 5.734 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CNC(=O)C[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034986710 563117956 /nfs/dbraw/zinc/11/79/56/563117956.db2.gz MYRMFKGJHYHGEX-MLWJCNIFSA-N 0 0 485.672 5.904 1 0 JKAFRN CC[C@@](O)(c1cn(Cc2ccc3c(c2)sc(C(C)=O)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986859 563117958 /nfs/dbraw/zinc/11/79/58/563117958.db2.gz QCVHQBKSBJJNID-JOCHJYFZSA-N 0 0 459.493 5.571 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1)C(C)C ZINC000034986797 563117964 /nfs/dbraw/zinc/11/79/64/563117964.db2.gz HTIFTNKACGHLSU-RRPNLBNLSA-N 0 0 490.623 5.233 1 0 JKAFRN Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)[C@H](C(=O)N(C(C)C)C(C)C)c2cccnc2)cc1 ZINC000034986816 563117967 /nfs/dbraw/zinc/11/79/67/563117967.db2.gz IYKCWTJKXKQIJN-WUFINQPMSA-N 0 0 486.660 5.402 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1)C(C)C ZINC000034986796 563117968 /nfs/dbraw/zinc/11/79/68/563117968.db2.gz HTIFTNKACGHLSU-SVBPBHIXSA-N 0 0 490.623 5.233 1 0 JKAFRN Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)[C@@H](C(=O)N(C(C)C)C(C)C)c2cccnc2)cc1 ZINC000034986819 563117971 /nfs/dbraw/zinc/11/79/71/563117971.db2.gz IYKCWTJKXKQIJN-IZLXSDGUSA-N 0 0 486.660 5.402 1 0 JKAFRN Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[C@H](C(=O)N(C(C)C)C(C)C)c2cccnc2)c1 ZINC000034986712 563117977 /nfs/dbraw/zinc/11/79/77/563117977.db2.gz PNDBKFDPSKEFGQ-WUFINQPMSA-N 0 0 486.660 5.402 1 0 JKAFRN CC[C@@](O)(c1cn(Cc2ccc3c(c2)sc([C@@H](C)O)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986861 563117979 /nfs/dbraw/zinc/11/79/79/563117979.db2.gz OGKPZQUWFNSSNB-JLCFBVMHSA-N 0 0 461.509 5.421 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987283 563118006 /nfs/dbraw/zinc/11/80/06/563118006.db2.gz XIFGWDHAYILEBO-TZIIFLTASA-N 0 0 471.645 5.862 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CNC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987042 563118017 /nfs/dbraw/zinc/11/80/17/563118017.db2.gz QCAXZVDPYLKDGZ-IZLXSDGUSA-N 0 0 486.660 5.136 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987280 563118026 /nfs/dbraw/zinc/11/80/26/563118026.db2.gz XIFGWDHAYILEBO-HTZJHERLSA-N 0 0 471.645 5.862 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CC(=O)NCCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987279 563118035 /nfs/dbraw/zinc/11/80/35/563118035.db2.gz BOGWASIPTJVFFS-PQHLKRTFSA-N 0 0 485.672 5.734 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002824 563118114 /nfs/dbraw/zinc/11/81/14/563118114.db2.gz KESKDEFRIGIYKA-UHFFFAOYSA-N 0 0 459.413 5.501 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987383 563118118 /nfs/dbraw/zinc/11/81/18/563118118.db2.gz GOUOEOKNDSCSBS-LMSSTIIKSA-N 0 0 471.645 5.343 1 0 JKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)[C@H]3c3ccoc3)[C@]12C ZINC000035000723 563118125 /nfs/dbraw/zinc/11/81/25/563118125.db2.gz KWAMDQVQFVBEAU-PYHFQVHPSA-N 0 0 450.575 5.418 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1c(C)c(C)cc2c(C)cccc21 ZINC000035002929 563118171 /nfs/dbraw/zinc/11/81/71/563118171.db2.gz ODBNQIPRXSELHR-UHFFFAOYSA-N 0 0 495.446 6.147 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1c(C)cc(C)c2ccccc21 ZINC000035002872 563118200 /nfs/dbraw/zinc/11/82/00/563118200.db2.gz NFGIFTPSFVVFEQ-UHFFFAOYSA-N 0 0 450.995 6.038 1 0 JKAFRN CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4C)ccc3C)ccc2n1 ZINC000035049805 563118400 /nfs/dbraw/zinc/11/84/00/563118400.db2.gz VTKMDZCBBTUOHA-UHFFFAOYSA-N 0 0 450.464 6.226 1 0 JKAFRN O=C1c2ccccc2[C@](OCCOc2ccccc2O)(c2ccccc2)N1Cc1ccccc1 ZINC000035064192 563118593 /nfs/dbraw/zinc/11/85/93/563118593.db2.gz ZRHMXIYIKZKCKW-GDLZYMKVSA-N 0 0 451.522 5.345 1 0 JKAFRN C[C@H](C[NH2+]CCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000035050542 563118603 /nfs/dbraw/zinc/11/86/03/563118603.db2.gz QWQFPPVMSBGIJB-OHPSOFBHSA-N 0 0 459.715 6.187 1 0 JKAFRN CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000035064616 563118679 /nfs/dbraw/zinc/11/86/79/563118679.db2.gz MMPTXAFRKLNZPL-UHFFFAOYSA-N 0 0 486.437 6.653 1 0 JKAFRN Cc1cc2c(cc1Cl)-c1c(c(C(=O)NC3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2 ZINC000035075501 563118810 /nfs/dbraw/zinc/11/88/10/563118810.db2.gz WEEPXCKSSVBKAG-UHFFFAOYSA-N 0 0 474.819 6.775 1 0 JKAFRN COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)cc1OC ZINC000035078429 563118892 /nfs/dbraw/zinc/11/88/92/563118892.db2.gz IPZJNJPAVPZHJM-UHFFFAOYSA-N 0 0 465.571 5.284 1 0 in-vivo JKAFRN Cc1cn(CCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000035079993 563118954 /nfs/dbraw/zinc/11/89/54/563118954.db2.gz SLJLMYFAIDHROH-UHFFFAOYSA-N 0 0 454.570 5.024 1 0 in-vivo JKAFRN O=C1CS[C@H](c2c(Cl)cccc2Cl)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091175 563119216 /nfs/dbraw/zinc/11/92/16/563119216.db2.gz KBIRNZFYACVASO-OAQYLSRUSA-N 0 0 466.821 6.271 1 0 JKAFRN COc1ccc(C(=O)N2[C@H](C(=O)Nc3ccccc3F)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192446 563119381 /nfs/dbraw/zinc/11/93/81/563119381.db2.gz NKPWWSGWZWYCFO-RPLLCQBOSA-N 0 0 492.616 6.027 1 0 JKAFRN COc1ccc(C(=O)N2[C@@H](C(=O)NCCC(C)C)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192441 563119405 /nfs/dbraw/zinc/11/94/05/563119405.db2.gz VFOCQSZCHQYPHH-BVAGGSTKSA-N 0 0 468.663 5.411 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCC[C@H](F)C1 ZINC000035802501 563120363 /nfs/dbraw/zinc/12/03/63/563120363.db2.gz XFXOYVZSTQCSQN-UJAVWCLSSA-N 0 0 487.938 5.103 1 0 JKAFRN O=C([O-])C[C@@H]1C[NH2+][C@@H](c2ccc(-c3noc(-c4ccc(C5CCC(F)(F)CC5)cc4)n3)cc2)C1 ZINC000035802013 563120387 /nfs/dbraw/zinc/12/03/87/563120387.db2.gz KRYWDAJMWJBMNZ-OPAMFIHVSA-N 0 0 467.516 5.822 1 0 JKAFRN COc1ccccc1CNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)CC3 ZINC000035873258 563120965 /nfs/dbraw/zinc/12/09/65/563120965.db2.gz PJSHXKQUDQRRIZ-UHFFFAOYSA-N 0 0 489.645 5.212 1 0 JKAFRN CC(C)(C)c1cc(C(=O)N2CCS(=O)CC2)c(NC(=O)Nc2cccc3ccccc32)s1 ZINC000035921763 563121217 /nfs/dbraw/zinc/12/12/17/563121217.db2.gz DXLJFZKURZWONB-UHFFFAOYSA-N 0 0 469.632 5.047 1 0 JKAFRN COC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000035936237 563121370 /nfs/dbraw/zinc/12/13/70/563121370.db2.gz HUGJNTHHRSFNGV-UHFFFAOYSA-N 0 0 485.492 5.347 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)CCC3CCCC3)c3ccccc32)CC1 ZINC000036089341 563122030 /nfs/dbraw/zinc/12/20/30/563122030.db2.gz HINWGODKQABLIJ-UHFFFAOYSA-N 0 0 466.029 5.119 1 0 JKAFRN Clc1ccc2c(c1)N=C(N1CCN(Cc3ccc4c(c3)OCCO4)CC1)c1ccccc1N2 ZINC000036089479 563122105 /nfs/dbraw/zinc/12/21/05/563122105.db2.gz YNYGWSSJOCRJGL-UHFFFAOYSA-N 0 0 460.965 5.064 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2sc(CCCc3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000036126938 563122630 /nfs/dbraw/zinc/12/26/30/563122630.db2.gz HODUXBCOMHWQEN-UHFFFAOYSA-N 0 0 451.588 6.195 1 0 JKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000036189032 563124025 /nfs/dbraw/zinc/12/40/25/563124025.db2.gz JQKANSBWFRBIRJ-PGLYJMIPSA-N 0 0 495.107 6.139 1 0 JKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000036188516 563124029 /nfs/dbraw/zinc/12/40/29/563124029.db2.gz FJMGVKBLNYZNRC-ZYFVVADWSA-N 0 0 468.641 6.206 1 0 JKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000036188553 563124039 /nfs/dbraw/zinc/12/40/39/563124039.db2.gz GPGLGVIBAVITFL-UHRBUOGNSA-N 0 0 460.540 5.557 1 0 JKAFRN CCCC[C@@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222159 563124500 /nfs/dbraw/zinc/12/45/00/563124500.db2.gz UAMNNIIFIXKFSF-HHHXNRCGSA-N 0 0 480.616 6.241 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000036294849 563125559 /nfs/dbraw/zinc/12/55/59/563125559.db2.gz FFALVHGQANUEKB-FDDCHVKYSA-N 0 0 456.413 6.682 1 0 JKAFRN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294707 563125573 /nfs/dbraw/zinc/12/55/73/563125573.db2.gz IQBDRJGQTWPMPY-ZIAGYGMSSA-N 0 0 476.795 5.271 1 0 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COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3nc(Cc4ccccc4)[nH]c(=O)c32)cc1OC ZINC000036382510 563128160 /nfs/dbraw/zinc/12/81/60/563128160.db2.gz DWWNXGMDLNIROF-SANMLTNESA-N 0 0 476.532 5.817 1 0 JKAFRN CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@@H](C(C)(C)C)CCC2=O)cc1 ZINC000036382894 563128245 /nfs/dbraw/zinc/12/82/45/563128245.db2.gz KUOBJHKTSNZISM-UPVQGACJSA-N 0 0 452.664 6.023 3 0 JKAFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384243 563128436 /nfs/dbraw/zinc/12/84/36/563128436.db2.gz UMIWUSWKJRJHPB-GBXCKJPGSA-N 0 0 490.531 5.071 3 0 JKAFRN COC(=O)C1=C(c2ccc(F)cc2F)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384357 563128518 /nfs/dbraw/zinc/12/85/18/563128518.db2.gz COCGIAKWUZEYID-OXJNMPFZSA-N 0 0 480.433 5.057 3 0 JKAFRN Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(Cl)ccc3C(=O)N12 ZINC000036387257 563129071 /nfs/dbraw/zinc/12/90/71/563129071.db2.gz MHCLQSRDNFHWHO-MBPYSEENSA-N 0 0 458.945 5.349 3 0 JKAFRN CCCC[C@H](CC(=O)c1ccccc1)[C@@H](OC(C)=O)C(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000036387671 563129317 /nfs/dbraw/zinc/12/93/17/563129317.db2.gz CMOVBYXFFPTSRJ-YIXXDRMTSA-N 0 0 466.618 6.850 3 0 JKAFRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036387943 563129342 /nfs/dbraw/zinc/12/93/42/563129342.db2.gz BZJZORSWXAMUTC-GGQNTOLOSA-N 0 0 469.556 6.191 1 0 JKAFRN CC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388420 563129416 /nfs/dbraw/zinc/12/94/16/563129416.db2.gz CBSFIPZNVMHQDA-ZFOGOZASSA-N 0 0 453.557 6.751 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036388199 563129435 /nfs/dbraw/zinc/12/94/35/563129435.db2.gz QJLHGNUMZRQIHJ-YSABAHSFSA-N 0 0 453.582 6.283 1 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccccc1 ZINC000036388449 563129476 /nfs/dbraw/zinc/12/94/76/563129476.db2.gz NUUAFBBQPKVAJD-WNCULLNHSA-N 0 0 484.571 5.608 3 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388479 563129488 /nfs/dbraw/zinc/12/94/88/563129488.db2.gz CPEBXFRPGKGHOZ-SQJMNOBHSA-N 0 0 480.580 5.181 3 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000036388470 563129504 /nfs/dbraw/zinc/12/95/04/563129504.db2.gz LKCCOKZGZMFSAU-SQJMNOBHSA-N 0 0 462.565 5.698 3 0 JKAFRN COc1ccc(-c2c3cc(-c4ccc(OC)nc4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388653 563129573 /nfs/dbraw/zinc/12/95/73/563129573.db2.gz IEFSAUKIIDJDJK-UHFFFAOYSA-N 0 0 480.564 6.609 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)c(F)c4)ccc3n2C)c1 ZINC000036388838 563129671 /nfs/dbraw/zinc/12/96/71/563129671.db2.gz CYZVCJDRBYWDQN-UHFFFAOYSA-N 0 0 473.569 7.406 3 0 JKAFRN C/C(=C\Cc1cc(O)ccc1O)CCC/C(C)=C\C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000036403835 563129886 /nfs/dbraw/zinc/12/98/86/563129886.db2.gz FBBXOWQBMFRXRO-MEVHTVKHSA-N 0 0 450.707 8.892 1 0 JKAFRN COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccccc5)n(C)c4=O)cc3F)c2cc1OC ZINC000036489093 563130604 /nfs/dbraw/zinc/13/06/04/563130604.db2.gz BJPFHTCZRZBWRU-UHFFFAOYSA-N 0 0 498.514 5.688 1 0 JKAFRN Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)cc(Cl)c1NS(C)(=O)=O ZINC000036487489 563130659 /nfs/dbraw/zinc/13/06/59/563130659.db2.gz GGSIWQNOSCAKTE-UHFFFAOYSA-N 0 0 453.073 5.367 1 0 JKAFRN CCO[C@H]1CN(c2ccc(Nc3nnc4cc(-c5c(C)cccc5C)cc(C)c4n3)cc2)CCO1 ZINC000037858309 563130857 /nfs/dbraw/zinc/13/08/57/563130857.db2.gz FCHCUQUDMIEJRZ-RUZDIDTESA-N 0 0 469.589 5.560 1 0 JKAFRN CCOc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4)c(=N)c32)cc1OCC ZINC000038142023 563131324 /nfs/dbraw/zinc/13/13/24/563131324.db2.gz IDWKPRGAFLWILC-MHZLTWQESA-N 0 0 489.575 6.588 1 0 JKAFRN N=c1c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccc2c(c1)OCCO2 ZINC000038142020 563131353 /nfs/dbraw/zinc/13/13/53/563131353.db2.gz FVLXMFUDGWKBKJ-VWLOTQADSA-N 0 0 459.505 5.562 1 0 JKAFRN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3nc(CCc4ccccc4)[nH]c(=O)c32)cc1OC ZINC000038142903 563131423 /nfs/dbraw/zinc/13/14/23/563131423.db2.gz KNLOOSHRHMZRET-HHHXNRCGSA-N 0 0 490.559 6.011 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccc(C(C)(C)C)cc4)c(=N)c32)c1 ZINC000038142917 563131542 /nfs/dbraw/zinc/13/15/42/563131542.db2.gz HKURLFXRQJSJSJ-MHZLTWQESA-N 0 0 487.603 7.097 1 0 JKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCC4)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147882 563131928 /nfs/dbraw/zinc/13/19/28/563131928.db2.gz SVNZONKBEHMWAA-UHFFFAOYSA-N 0 0 458.949 6.264 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000038149627 563132061 /nfs/dbraw/zinc/13/20/61/563132061.db2.gz WNWFTAJJMGMWDJ-FQEVSTJZSA-N 0 0 488.472 5.579 1 0 JKAFRN FC(F)(F)c1cc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c(Br)c1 ZINC000038157651 563132848 /nfs/dbraw/zinc/13/28/48/563132848.db2.gz VMJVHFCACDSBJP-UHFFFAOYSA-N 0 0 494.237 5.085 1 0 JKAFRN CC(C)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)n(-c2cnc3ccccc3c2)n1C ZINC000038157786 563132924 /nfs/dbraw/zinc/13/29/24/563132924.db2.gz GWBITAQAPMSVBY-UHFFFAOYSA-N 0 0 469.467 5.510 1 0 JKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179205 563133025 /nfs/dbraw/zinc/13/30/25/563133025.db2.gz CPGUUWWAHUUTRH-DPMYWLLKSA-N 0 0 491.653 6.686 1 0 JKAFRN C[C@@]1([C@H](NC(=O)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2)C[C@H]1C1CCCCC1 ZINC000038179242 563133087 /nfs/dbraw/zinc/13/30/87/563133087.db2.gz QUNVWBGQGMRQOZ-PKZQBKLLSA-N 0 0 458.045 8.085 1 0 JKAFRN CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2O1 ZINC000038269600 563133641 /nfs/dbraw/zinc/13/36/41/563133641.db2.gz XFIAOQQYXCGDIW-UHFFFAOYSA-N 0 0 457.452 6.538 1 0 JKAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2c1c(OC)cc(Br)c2Br ZINC000038310593 563133795 /nfs/dbraw/zinc/13/37/95/563133795.db2.gz IYPVMDQHPOVNHW-UHFFFAOYSA-N 0 0 482.216 6.007 1 0 JKAFRN CCCCO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/CC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000038361724 563134071 /nfs/dbraw/zinc/13/40/71/563134071.db2.gz QLOAJHDVIXGFQK-VMVORBMISA-N 0 0 472.754 7.075 1 0 JKAFRN Brc1cccc(Nc2ncnc3ccc(NCc4ccc5c(c4)OCCO5)cc32)c1 ZINC000038360643 563134080 /nfs/dbraw/zinc/13/40/80/563134080.db2.gz HCKKSKAPOHHGNB-UHFFFAOYSA-N 0 0 463.335 5.519 1 0 JKAFRN COC(=O)CCc1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c2=O)cc1 ZINC000038432330 563134465 /nfs/dbraw/zinc/13/44/65/563134465.db2.gz UTNXQLQSDCZNRA-UHFFFAOYSA-N 0 0 495.579 5.622 1 0 JKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2CSCc2ccccc2)c1 ZINC000038432168 563134472 /nfs/dbraw/zinc/13/44/72/563134472.db2.gz REMIVOSNWIQNAK-UHFFFAOYSA-N 0 0 491.394 6.130 1 0 JKAFRN CCCN(CCC(F)(F)F)Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C ZINC000038473825 563134751 /nfs/dbraw/zinc/13/47/51/563134751.db2.gz XPPQBNWIJARQMV-UHFFFAOYSA-N 0 0 494.911 6.887 1 0 JKAFRN C[C@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)C1 ZINC000038568219 563135043 /nfs/dbraw/zinc/13/50/43/563135043.db2.gz ARUUKJNESGXJKC-QDPGVEIFSA-N 0 0 470.594 5.755 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/nfs/dbraw/zinc/13/92/97/563139297.db2.gz YEXJMBHRQOLRPV-VXKWHMMOSA-N 0 0 469.379 5.123 1 0 JKAFRN O=C(CCCCCCc1[nH]c2ccccc2c1C1=C(Br)C(=O)NC1=O)Nc1ccccc1 ZINC000040402749 563139612 /nfs/dbraw/zinc/13/96/12/563139612.db2.gz FYDNFIPITXCCBY-UHFFFAOYSA-N 0 0 494.389 5.062 1 0 JKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1F ZINC000040403039 563139616 /nfs/dbraw/zinc/13/96/16/563139616.db2.gz CBWXWWZGSKPBOX-GOSISDBHSA-N 0 0 457.855 5.153 1 0 JKAFRN Clc1ccc([C@H](Cn2nnc(-c3ccccc3)n2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402578 563139647 /nfs/dbraw/zinc/13/96/47/563139647.db2.gz QVDCDPKIXBVEPW-NRFANRHFSA-N 0 0 473.924 5.078 1 0 JKAFRN CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000040406374 563140125 /nfs/dbraw/zinc/14/01/25/563140125.db2.gz NAORFVKQIRZIQP-UHFFFAOYSA-N 0 0 483.461 5.008 1 0 JKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000040406685 563140212 /nfs/dbraw/zinc/14/02/12/563140212.db2.gz IRJXRYRNNJVUIZ-LJQANCHMSA-N 0 0 453.892 5.404 1 0 JKAFRN CCOC(=O)C(=CNc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1 ZINC000040408500 563140334 /nfs/dbraw/zinc/14/03/34/563140334.db2.gz MTYXOZOZSVZQSJ-LCYFTJDESA-N 0 0 475.564 5.587 1 0 JKAFRN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc(O)c2)cc1 ZINC000040407721 563140373 /nfs/dbraw/zinc/14/03/73/563140373.db2.gz LNGLYCRNFZVESN-UHFFFAOYSA-N 0 0 488.591 5.669 1 0 JKAFRN Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C3CCCCC3)[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000040409988 563140547 /nfs/dbraw/zinc/14/05/47/563140547.db2.gz ZJKYUHVJOAHAGF-WJOKGBTCSA-N 0 0 464.609 5.636 1 0 JKAFRN CC(C)(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C2CC2)o1 ZINC000040410583 563140598 /nfs/dbraw/zinc/14/05/98/563140598.db2.gz XFGFULZQHFDIHL-UHFFFAOYSA-N 0 0 487.818 7.724 1 0 JKAFRN CC(C)c1[nH+]ccc2c1c(Sc1cc(Cl)c(Cl)cc1Cl)c1n2CC[C@H]1CC(=O)[O-] ZINC000040410427 563140626 /nfs/dbraw/zinc/14/06/26/563140626.db2.gz VONICINKTYRBRJ-NSHDSACASA-N 0 0 469.821 7.233 1 0 JKAFRN O=C([O-])C[C@@H]1CCCn2c3cc[nH+]c(CC4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411443 563140790 /nfs/dbraw/zinc/14/07/90/563140790.db2.gz ITVGFKXNPHWUBR-AWEZNQCLSA-N 0 0 461.414 6.799 1 0 JKAFRN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000040413315 563141042 /nfs/dbraw/zinc/14/10/42/563141042.db2.gz SCUPHOKPNXPNLB-RUZDIDTESA-N 0 0 487.600 5.102 1 0 JKAFRN CCC(F)(F)CN1CCOc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O ZINC000040413146 563141090 /nfs/dbraw/zinc/14/10/90/563141090.db2.gz LRZXYARISQFUKT-UHFFFAOYSA-N 0 0 466.315 5.726 1 0 JKAFRN CC(C)(C)Oc1cccc(C(=O)N2Cc3ccccc3[C@H](c3ccccc3Cl)c3ccccc32)c1 ZINC000040420524 563141361 /nfs/dbraw/zinc/14/13/61/563141361.db2.gz RPILVPLMMMGIKO-GDLZYMKVSA-N 0 0 482.023 7.858 1 0 JKAFRN Cc1c(C(=O)N(C)C(=O)C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040420610 563141375 /nfs/dbraw/zinc/14/13/75/563141375.db2.gz PZGQATUFUOVKFW-UHFFFAOYSA-N 0 0 478.807 6.453 1 0 JKAFRN N=C1SC(=Cc2c[nH]nc2-c2ccc(-c3ccc(Cl)cc3)cc2)C(=O)N1c1nccs1 ZINC000040420959 563141453 /nfs/dbraw/zinc/14/14/53/563141453.db2.gz UIQXYXOSZZTWRH-JERZPRFUSA-N 0 0 463.975 5.909 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@H]3CCCc4ccccc43)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040420758 563141469 /nfs/dbraw/zinc/14/14/69/563141469.db2.gz ZPZCIOHWBPWKQV-NRFANRHFSA-N 0 0 480.559 7.369 1 0 JKAFRN O=C(Nc1cncnc1)c1c2onc(Nc3ccc(F)c(C(F)(F)F)c3)c2ccc1Cl ZINC000040421636 563141638 /nfs/dbraw/zinc/14/16/38/563141638.db2.gz TVZQTYBHCROIOH-UHFFFAOYSA-N 0 0 451.767 5.425 1 0 JKAFRN O=C(NC1CCCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)CC1 ZINC000040421731 563141650 /nfs/dbraw/zinc/14/16/50/563141650.db2.gz DOXSRKJXSVOAIG-DEOSSOPVSA-N 0 0 494.001 6.498 1 0 JKAFRN COc1ccc([C@@H]2[C@@H](CCC(O)(c3ccccc3)c3ccccc3)C(=O)N2c2ccccc2C)cc1 ZINC000040421999 563141788 /nfs/dbraw/zinc/14/17/88/563141788.db2.gz AUAAPWHFBZIALR-PQHLKRTFSA-N 0 0 477.604 6.424 1 0 JKAFRN CC(C)(C)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)O1 ZINC000040422294 563141860 /nfs/dbraw/zinc/14/18/60/563141860.db2.gz UDNXVHQCFGZCFM-OCNISVCISA-N 0 0 462.464 5.023 1 0 JKAFRN CCOC(=O)C(=CNc1ccc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000040422858 563142044 /nfs/dbraw/zinc/14/20/44/563142044.db2.gz NWDLHOBECCRQDZ-GXDHUFHOSA-N 0 0 459.565 5.881 1 0 JKAFRN CCO[C@@H](Cc1ccc(OCC[N@H+]2CC=C(c3ccc(Cl)cc3Cl)CC2)cc1)C(=O)[O-] ZINC000040422962 563142109 /nfs/dbraw/zinc/14/21/09/563142109.db2.gz APDFSHNXNLFEDO-QHCPKHFHSA-N 0 0 464.389 5.194 1 0 JKAFRN CC(C)CCc1cc(N(Cc2cccc3ccccc32)C(=O)OC(C)(C)C)nc(NCC(C)C)n1 ZINC000040423143 563142246 /nfs/dbraw/zinc/14/22/46/563142246.db2.gz KZUSNGRTINUKOF-UHFFFAOYSA-N 0 0 476.665 7.228 1 0 JKAFRN CCC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000040423516 563142389 /nfs/dbraw/zinc/14/23/89/563142389.db2.gz KWOCXECMEUERDC-UHFFFAOYSA-N 0 0 475.807 7.546 1 0 JKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1cc(C)ccc1C ZINC000040424922 563142941 /nfs/dbraw/zinc/14/29/41/563142941.db2.gz GBUDZDMHNSYBBL-UHFFFAOYSA-N 0 0 462.980 5.393 1 0 JKAFRN O=C([O-])c1cccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CCC3)c1 ZINC000040425232 563143052 /nfs/dbraw/zinc/14/30/52/563143052.db2.gz OYBYKWZIDBDHAI-DHLKQENFSA-N 0 0 451.950 5.401 1 0 JKAFRN CCc1c(C2=NC(=O)C(C)(C)N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040424995 563143095 /nfs/dbraw/zinc/14/30/95/563143095.db2.gz KGGHJYABDWNPSR-UHFFFAOYSA-N 0 0 461.780 5.717 1 0 JKAFRN COc1cc(Oc2ccnc3[nH]c(=O)[nH]c32)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040431216 563143749 /nfs/dbraw/zinc/14/37/49/563143749.db2.gz WFTVVCJATDOUOZ-UHFFFAOYSA-N 0 0 493.829 5.368 1 0 JKAFRN CNC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040431333 563143851 /nfs/dbraw/zinc/14/38/51/563143851.db2.gz RXUMRMHAMHFTOQ-UHFFFAOYSA-N 0 0 472.592 6.237 1 0 JKAFRN CC1=NN(C(=O)Nc2cccc3ccccc32)C(C)=NN1C(=O)Nc1cccc2ccccc21 ZINC000040505531 563144887 /nfs/dbraw/zinc/14/48/87/563144887.db2.gz LSZRCMSMXHFIIN-UHFFFAOYSA-N 0 0 450.502 6.041 1 0 JKAFRN O=C([O-])Cc1ccc(OCCC[NH+]2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040505880 563145045 /nfs/dbraw/zinc/14/50/45/563145045.db2.gz VYPBFHMHQSKCBQ-UHFFFAOYSA-N 0 0 495.566 5.009 1 0 JKAFRN O=C([O-])C[C@@H](c1c[nH]cn1)N(CC(c1ccccc1)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040533388 563145186 /nfs/dbraw/zinc/14/51/86/563145186.db2.gz PSHRGFIELWHFDG-FIBWVYCGSA-N 0 0 494.639 5.334 1 0 JKAFRN CCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000040567579 563146127 /nfs/dbraw/zinc/14/61/27/563146127.db2.gz JFZVXMDRNLSHKJ-CMPUJJQDSA-N 0 0 476.613 5.302 1 0 JKAFRN COCCCn1c(C)nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc21 ZINC000040568113 563146204 /nfs/dbraw/zinc/14/62/04/563146204.db2.gz LCICYNWPYXQFQS-UHFFFAOYSA-N 0 0 464.978 5.462 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1OC ZINC000040577073 563146605 /nfs/dbraw/zinc/14/66/05/563146605.db2.gz IHKUMPKEZFPXGN-UHFFFAOYSA-N 0 0 475.632 7.588 1 0 JKAFRN CCCCC1(CCCC)Nc2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040639639 563147225 /nfs/dbraw/zinc/14/72/25/563147225.db2.gz NDUJTRKTCCPDSG-UHFFFAOYSA-N 0 0 494.643 6.678 1 0 JKAFRN COC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c2c3cc(OC)c(O)cc3ccn12 ZINC000040763292 563147957 /nfs/dbraw/zinc/14/79/57/563147957.db2.gz URFLMNAYXUVMHG-UHFFFAOYSA-N 0 0 483.520 5.945 1 0 JKAFRN CC(=O)N(Cc1ccc(Cl)cc1)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O ZINC000040763225 563147987 /nfs/dbraw/zinc/14/79/87/563147987.db2.gz BRTHBDUJWOHVLY-UHFFFAOYSA-N 0 0 450.749 6.693 1 0 JKAFRN COC(=O)[C@@]12CC[C@@H]3C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000040764091 563148182 /nfs/dbraw/zinc/14/81/82/563148182.db2.gz QQTTYKDXVIONSQ-ZIKYYPSPSA-N 0 0 456.711 6.932 1 0 in-vivo JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccc(Cl)cc1 ZINC000040764352 563148228 /nfs/dbraw/zinc/14/82/28/563148228.db2.gz DXLUQMRNJSYCTE-UHFFFAOYSA-N 0 0 480.051 8.233 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCCCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000040764295 563148249 /nfs/dbraw/zinc/14/82/49/563148249.db2.gz HDZLUVGSFJQGOH-CMZGQUJUSA-N 0 0 487.725 6.368 1 0 JKAFRN CCC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000040810622 563148695 /nfs/dbraw/zinc/14/86/95/563148695.db2.gz JFZVXMDRNLSHKJ-XOZXEBRTSA-N 0 0 476.613 5.302 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccc6c(c5)OCO6)cnn4c3N)cc2)c1 ZINC000040836450 563149017 /nfs/dbraw/zinc/14/90/17/563149017.db2.gz ZHEHFBYATJJVCC-UHFFFAOYSA-N 0 0 478.512 5.327 1 0 JKAFRN COc1ccc(-c2nnsc2SCC(=O)Nc2ccc(C)cc2Br)cc1 ZINC000040836511 563149105 /nfs/dbraw/zinc/14/91/05/563149105.db2.gz HLIVJWLFENFWJM-UHFFFAOYSA-N 0 0 450.383 5.015 1 0 JKAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000040846216 563149262 /nfs/dbraw/zinc/14/92/62/563149262.db2.gz QJMGTRXYMRJGQV-GDLZYMKVSA-N 0 0 477.604 5.702 1 0 JKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@]4(CO)CC[C@@](C)(CO)C[C@H]4[C@]3(C)CC[C@]12C ZINC000040847117 563149361 /nfs/dbraw/zinc/14/93/61/563149361.db2.gz ZMSNKXDPESNSSS-CUKXIHTOSA-N 0 0 458.727 6.402 1 0 in-vitro JKAFRN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040848573 563149702 /nfs/dbraw/zinc/14/97/02/563149702.db2.gz NHLZNTYRPUFRMB-HZPDHXFCSA-N 0 0 475.807 5.876 1 0 JKAFRN OCCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040848659 563149714 /nfs/dbraw/zinc/14/97/14/563149714.db2.gz VMBAACIMDCBWFW-UHFFFAOYSA-N 0 0 478.396 6.008 1 0 JKAFRN CCOCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000040860391 563149924 /nfs/dbraw/zinc/14/99/24/563149924.db2.gz GQONVTIJYRFFPQ-UHFFFAOYSA-N 0 0 493.411 6.405 1 0 JKAFRN CNC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000040862214 563150323 /nfs/dbraw/zinc/15/03/23/563150323.db2.gz ZNBCUQIOWBPYIT-JBYJGCOVSA-N 0 0 469.754 6.895 1 0 JKAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040862892 563150388 /nfs/dbraw/zinc/15/03/88/563150388.db2.gz IKOXYWXYUYDSKB-UHFFFAOYSA-N 0 0 475.820 6.158 1 0 JKAFRN COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 ZINC000040863623 563150617 /nfs/dbraw/zinc/15/06/17/563150617.db2.gz MBRNYPCNGOLARI-UHFFFAOYSA-N 0 0 495.988 5.210 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2n1 ZINC000040864366 563150811 /nfs/dbraw/zinc/15/08/11/563150811.db2.gz SCMWQDFDZBUVPJ-UHFFFAOYSA-N 0 0 465.340 6.746 1 0 JKAFRN COc1cc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3O2)cc(OC)c1O ZINC000040872507 563151401 /nfs/dbraw/zinc/15/14/01/563151401.db2.gz UPBJEHBYZUPVDF-JUALLIRVSA-N 0 0 468.546 5.762 1 0 JKAFRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2cccc(Cl)c2)s1 ZINC000040872390 563151415 /nfs/dbraw/zinc/15/14/15/563151415.db2.gz RKRMWPAPKVGEAG-JLHYYAGUSA-N 0 0 477.376 6.381 1 0 JKAFRN CC(C)(C)NC(=O)N1CCN([C@H](c2ccc(Br)cc2)c2ccccc2Cl)CC1 ZINC000040872724 563151514 /nfs/dbraw/zinc/15/15/14/563151514.db2.gz QGDJXRXKUHTDSO-HXUWFJFHSA-N 0 0 464.835 5.318 1 0 JKAFRN Cc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 ZINC000040873040 563151622 /nfs/dbraw/zinc/15/16/22/563151622.db2.gz FXVJXTGHCZIFDV-UHFFFAOYSA-N 0 0 465.985 5.573 1 0 JKAFRN CC[C@@H](C)c1c(=O)[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1c(F)cccc1Cl ZINC000040875066 563152098 /nfs/dbraw/zinc/15/20/98/563152098.db2.gz PREAJADVDJDUNM-CYBMUJFWSA-N 0 0 462.949 5.781 1 0 JKAFRN O=c1cc(-c2ccccc2)oc2cc(Oc3ccc4oc(-c5ccc(O)cc5O)cc(=O)c4c3)ccc12 ZINC000040875084 563152139 /nfs/dbraw/zinc/15/21/39/563152139.db2.gz HUFAZGKMEJCLGP-UHFFFAOYSA-N 0 0 490.467 6.437 1 0 JKAFRN Cc1ccccc1OCc1nnc(-c2cc(-c3cc(F)c(Cl)cc3Cl)nc3ccccc32)o1 ZINC000040875387 563152252 /nfs/dbraw/zinc/15/22/52/563152252.db2.gz QBXQQDGSCROZBR-UHFFFAOYSA-N 0 0 480.326 7.285 1 0 JKAFRN CC(=O)[C@@H](Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 ZINC000040875598 563152310 /nfs/dbraw/zinc/15/23/10/563152310.db2.gz PYWMCEZVCPXRBD-XMMPIXPASA-N 0 0 498.044 5.883 1 0 JKAFRN CC[C@H](C)c1c(=O)[nH]c(SCC(=O)c2ccc(OC)cc2)nc1Cc1c(F)cccc1Cl ZINC000040875590 563152328 /nfs/dbraw/zinc/15/23/28/563152328.db2.gz QMHOEAPWFQUWGY-AWEZNQCLSA-N 0 0 474.985 5.650 1 0 JKAFRN CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3cccc(C(F)(F)F)c3)c3ccccc32)n1 ZINC000040876489 563152364 /nfs/dbraw/zinc/15/23/64/563152364.db2.gz XDYASBHCBRXHKH-UHFFFAOYSA-N 0 0 473.455 5.178 1 0 JKAFRN CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c3ccccc32)n1 ZINC000040876088 563152376 /nfs/dbraw/zinc/15/23/76/563152376.db2.gz NVJBHXFZOKEESU-UHFFFAOYSA-N 0 0 489.454 5.058 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3ccc(Br)cc3)ccc2n1 ZINC000040877015 563152429 /nfs/dbraw/zinc/15/24/29/563152429.db2.gz ROYFGQYCPPNEJA-UHFFFAOYSA-N 0 0 475.346 6.202 1 0 JKAFRN NC(=O)c1cc(Cl)c(Nc2nc3c(ncnc3Nc3ccc(C(F)(F)F)cc3)s2)c(Cl)c1 ZINC000040877178 563152434 /nfs/dbraw/zinc/15/24/34/563152434.db2.gz MCEYIWVXPLTWDF-UHFFFAOYSA-N 0 0 499.305 5.998 1 0 JKAFRN O=C(Nc1ccc(Br)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 ZINC000040877291 563152461 /nfs/dbraw/zinc/15/24/61/563152461.db2.gz CARRNSXVAOGEIT-UHFFFAOYSA-N 0 0 468.742 6.433 1 0 JKAFRN CC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(OCc2ncon2)n1 ZINC000040877475 563152579 /nfs/dbraw/zinc/15/25/79/563152579.db2.gz MAKUUSXZRYVVJQ-UHFFFAOYSA-N 0 0 492.366 6.751 1 0 JKAFRN Nc1nc(-c2ccc(Cl)cc2)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000040878670 563152616 /nfs/dbraw/zinc/15/26/16/563152616.db2.gz CHXQDKNCEUHQNY-UHFFFAOYSA-N 0 0 477.782 7.568 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1 ZINC000040879342 563152743 /nfs/dbraw/zinc/15/27/43/563152743.db2.gz WUXBAQXHLAKVMY-UHFFFAOYSA-N 0 0 498.892 7.112 1 0 JKAFRN Cc1c(C(=O)NN2C[C@H]3CCC[C@@H]3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000040879097 563152750 /nfs/dbraw/zinc/15/27/50/563152750.db2.gz FQCPRCTUZIOXEU-ZIAGYGMSSA-N 0 0 495.863 6.246 1 0 JKAFRN C[C@@H](CN(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 ZINC000040891697 563153061 /nfs/dbraw/zinc/15/30/61/563153061.db2.gz FPSHHIPLSDPHHZ-SFHVURJKSA-N 0 0 470.034 6.486 1 0 JKAFRN O=C(Nc1ccc(Br)cc1)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1 ZINC000040892193 563153250 /nfs/dbraw/zinc/15/32/50/563153250.db2.gz DMSNTCWDXPJDBQ-UHFFFAOYSA-N 0 0 468.742 6.433 1 0 JKAFRN CCc1nccn1Cc1ccc(Nc2nc3ncnc(Nc4ccc(F)c(Cl)c4)c3s2)cc1 ZINC000040892369 563153276 /nfs/dbraw/zinc/15/32/76/563153276.db2.gz YWBUMHFXOAMBLH-UHFFFAOYSA-N 0 0 479.972 6.173 1 0 JKAFRN O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000040893431 563153535 /nfs/dbraw/zinc/15/35/35/563153535.db2.gz SXDHKEYDGSJZTF-UHFFFAOYSA-N 0 0 474.446 5.208 1 0 JKAFRN CO[P@](=O)(Cc1cccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c1)c1ccccc1 ZINC000040894678 563153699 /nfs/dbraw/zinc/15/36/99/563153699.db2.gz YESYBBLVBUYLNF-WJOKGBTCSA-N 0 0 462.511 6.000 1 0 JKAFRN O=C(Cc1ncc(CCNc2ncnc3ccsc32)s1)Nc1cccc(C(F)(F)F)c1 ZINC000040894693 563153703 /nfs/dbraw/zinc/15/37/03/563153703.db2.gz USSPDYYDWFNICI-UHFFFAOYSA-N 0 0 463.510 5.002 1 0 JKAFRN O=c1c2ccccc2nc(/C=C/c2cccc(Cl)c2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040895333 563153783 /nfs/dbraw/zinc/15/37/83/563153783.db2.gz AZUPJHDENGPYSY-MDWZMJQESA-N 0 0 477.376 6.381 1 0 JKAFRN FC(F)(F)c1ccc(Nc2ncnc3nc(Nc4c(Cl)cccc4Cl)sc32)cc1 ZINC000040896158 563153896 /nfs/dbraw/zinc/15/38/96/563153896.db2.gz DKOMGKYYDKTXAI-UHFFFAOYSA-N 0 0 456.280 6.899 1 0 JKAFRN COc1ccc(N(C(=O)c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 ZINC000040896823 563154046 /nfs/dbraw/zinc/15/40/46/563154046.db2.gz KUUCRERQLRLCSS-AREMUKBSSA-N 0 0 476.548 5.290 1 0 JKAFRN CCOC(=O)C1C(Nc2ccccc2)=C[C@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000040899010 563154456 /nfs/dbraw/zinc/15/44/56/563154456.db2.gz VIHQGHFBJQEGJJ-BVRKHOPBSA-N 0 0 474.604 7.309 1 0 JKAFRN CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)cc2)CC1 ZINC000040899569 563154525 /nfs/dbraw/zinc/15/45/25/563154525.db2.gz BDAVLOLXWUNCCY-UHFFFAOYSA-N 0 0 485.584 5.227 1 0 JKAFRN COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000040900306 563154607 /nfs/dbraw/zinc/15/46/07/563154607.db2.gz QGRYIZRZEGPOEO-UHFFFAOYSA-N 0 0 475.936 5.296 1 0 JKAFRN O=C(NN1CCCCC1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040900974 563154697 /nfs/dbraw/zinc/15/46/97/563154697.db2.gz SPZNOICITPMHGE-UHFFFAOYSA-N 0 0 450.757 5.025 1 0 JKAFRN O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O ZINC000040900757 563154722 /nfs/dbraw/zinc/15/47/22/563154722.db2.gz HENQOVMQRFFCJG-UHFFFAOYSA-N 0 0 461.517 6.215 1 0 JKAFRN Cc1c(C(=O)NC(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040913602 563154924 /nfs/dbraw/zinc/15/49/24/563154924.db2.gz BJTYQLJXHDPGBY-UHFFFAOYSA-N 0 0 465.768 5.656 1 0 JKAFRN Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000040914371 563155181 /nfs/dbraw/zinc/15/51/81/563155181.db2.gz LQQNAJTWJNMDCL-UHFFFAOYSA-N 0 0 499.954 5.512 1 0 JKAFRN CC(C)(C)NC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040914963 563155378 /nfs/dbraw/zinc/15/53/78/563155378.db2.gz NXPWZFZLLPAIPA-HXUWFJFHSA-N 0 0 454.829 5.862 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1c(C)cc(Cl)cc1C ZINC000040915812 563155543 /nfs/dbraw/zinc/15/55/43/563155543.db2.gz IDGWWFQBFRONBN-UHFFFAOYSA-N 0 0 491.850 6.555 1 0 JKAFRN CCCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040915719 563155587 /nfs/dbraw/zinc/15/55/87/563155587.db2.gz OXKCRXJCGDZHQG-UHFFFAOYSA-N 0 0 467.363 5.339 1 0 JKAFRN CC(C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)OC[C@@H](O)CO ZINC000040916096 563155632 /nfs/dbraw/zinc/15/56/32/563155632.db2.gz GXLCJJYXZFAKQM-HPGBZROCSA-N 0 0 452.720 7.283 1 0 JKAFRN COc1cc(-c2nn(-c3ccc(Cl)cc3)c3nnc(-c4ccccc4)nc23)cc(OC)c1OC ZINC000040916773 563155703 /nfs/dbraw/zinc/15/57/03/563155703.db2.gz HNOMWSZBBOFINE-UHFFFAOYSA-N 0 0 473.920 5.224 1 0 JKAFRN Fc1cc(-c2csc3nc(-c4cc(F)c(Cl)cc4Cl)nn23)c(Cl)cc1Cl ZINC000040918172 563156141 /nfs/dbraw/zinc/15/61/41/563156141.db2.gz IMPNLUVYXXCFMC-UHFFFAOYSA-N 0 0 451.112 7.017 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(NC3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918326 563156223 /nfs/dbraw/zinc/15/62/23/563156223.db2.gz WJZPVVHHXKEWRK-UHFFFAOYSA-N 0 0 482.628 6.194 1 0 JKAFRN COc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040918860 563156436 /nfs/dbraw/zinc/15/64/36/563156436.db2.gz CXTJWICMIXVYAB-WYFZSJNCSA-N 0 0 497.595 5.220 1 0 JKAFRN CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000040933032 563156672 /nfs/dbraw/zinc/15/66/72/563156672.db2.gz MCACKYGWBBVINR-SANMLTNESA-N 0 0 467.613 6.386 1 0 JKAFRN Cc1c(-c2nnc(C3CCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040933206 563156743 /nfs/dbraw/zinc/15/67/43/563156743.db2.gz ZNPVPXRTKFVFFK-UHFFFAOYSA-N 0 0 459.764 7.125 1 0 JKAFRN O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(=O)oc(/C=C/c3ccccc3)cc2O1 ZINC000040933407 563156815 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YATHWQCIZADVLH-NRFANRHFSA-N 0 0 468.563 7.699 1 0 JKAFRN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(C)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000040934242 563157325 /nfs/dbraw/zinc/15/73/25/563157325.db2.gz ANNSLYMBOUJPAG-UHFFFAOYSA-N 0 0 489.616 5.206 1 0 JKAFRN Cc1c2ccccc2sc1[C@H]1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=C(C)Nc2ccnn21 ZINC000040934316 563157435 /nfs/dbraw/zinc/15/74/35/563157435.db2.gz DOGXONTVTLEJHS-RUZDIDTESA-N 0 0 487.604 5.183 1 0 JKAFRN Cc1c2ccccc2sc1[C@@H]1C(C(=O)N2CCN(c3ccc(F)cc3)CC2)=C(C)Nc2ccnn21 ZINC000040934315 563157479 /nfs/dbraw/zinc/15/74/79/563157479.db2.gz DOGXONTVTLEJHS-VWLOTQADSA-N 0 0 487.604 5.183 1 0 JKAFRN Cc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040934640 563157538 /nfs/dbraw/zinc/15/75/38/563157538.db2.gz LRTDIAMUUFVNCQ-UHFFFAOYSA-N 0 0 461.780 7.155 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(Cl)ccc1CO ZINC000040935374 563157723 /nfs/dbraw/zinc/15/77/23/563157723.db2.gz QRJFMMLTZQRALW-OAQYLSRUSA-N 0 0 451.010 6.517 1 0 JKAFRN C[C@@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@]12c1ccccc1N(C)C2=O ZINC000040935323 563157728 /nfs/dbraw/zinc/15/77/28/563157728.db2.gz PDPHSUSXXMUFJQ-WKRVVKTRSA-N 0 0 458.561 5.448 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(OC)ccc1Cl ZINC000040936268 563157899 /nfs/dbraw/zinc/15/78/99/563157899.db2.gz OCFYSUBUVGRBOV-DEOSSOPVSA-N 0 0 465.037 7.058 1 0 JKAFRN CN(C)CC[N@@H+]1CC[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@H]21 ZINC000040936191 563157906 /nfs/dbraw/zinc/15/79/06/563157906.db2.gz VZDIJKIIPJBCSR-DWACAAAGSA-N 0 0 471.645 5.992 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC(C)C)c2c(n1)CCC[C@H]2Nc1ccccc1CCO ZINC000040936551 563158033 /nfs/dbraw/zinc/15/80/33/563158033.db2.gz OTZFBBYPIRPLBY-RUZDIDTESA-N 0 0 458.646 6.685 1 0 JKAFRN Cc1c(-c2nnc(CC(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040936796 563158094 /nfs/dbraw/zinc/15/80/94/563158094.db2.gz MZKJHKVPFXEYHC-UHFFFAOYSA-N 0 0 477.848 7.525 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000040937600 563158340 /nfs/dbraw/zinc/15/83/40/563158340.db2.gz CEVPVDJSOHDUBA-QLWXXVCSSA-N 0 0 490.603 6.158 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000040937602 563158348 /nfs/dbraw/zinc/15/83/48/563158348.db2.gz PRRYDBZVELOQHK-GRKNLSHJSA-N 0 0 478.567 6.288 1 0 JKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040938215 563158437 /nfs/dbraw/zinc/15/84/37/563158437.db2.gz OFGUCAFZXULUSI-LODAOABASA-N 0 0 458.727 6.112 1 0 JKAFRN Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@H](C)c3ccccc3)[C@@]23c2ccccc2N(C)C3=O)cc1 ZINC000040939486 563158698 /nfs/dbraw/zinc/15/86/98/563158698.db2.gz KLPLLAIWTCDWIR-GJBXTBEHSA-N 0 0 486.615 6.065 1 0 JKAFRN Cc1c(C(=O)NC(=O)C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040939878 563158803 /nfs/dbraw/zinc/15/88/03/563158803.db2.gz XTJVEOSJRDEDIH-UHFFFAOYSA-N 0 0 464.780 6.110 1 0 JKAFRN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2 ZINC000040939984 563158865 /nfs/dbraw/zinc/15/88/65/563158865.db2.gz BTOMRLLEGFBHIK-UHFFFAOYSA-N 0 0 472.972 7.043 1 0 JKAFRN CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2ccc(C(C)=O)cc2)s1 ZINC000040943039 563158982 /nfs/dbraw/zinc/15/89/82/563158982.db2.gz ZANSMVLWIVQCLS-UHFFFAOYSA-N 0 0 452.539 5.421 1 0 JKAFRN Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)n1 ZINC000040943186 563159032 /nfs/dbraw/zinc/15/90/32/563159032.db2.gz KHTKOMCOPPNVRX-UHFFFAOYSA-N 0 0 480.567 5.692 1 0 JKAFRN O=C1Nc2ccc(cc2)NC(=O)Nc2ccccc2SCCCSc2ccccc2N1 ZINC000040943126 563159038 /nfs/dbraw/zinc/15/90/38/563159038.db2.gz YKCDPXIPEDHQGV-UHFFFAOYSA-N 0 0 450.589 6.563 1 0 JKAFRN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(N1CCC(F)(F)CC1)c1ccccc1S2 ZINC000040943678 563159149 /nfs/dbraw/zinc/15/91/49/563159149.db2.gz GHLZMFQTCPAANB-UHFFFAOYSA-N 0 0 497.998 6.544 1 0 JKAFRN Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@H](c3ccccc3)C2)c1 ZINC000040950264 563159381 /nfs/dbraw/zinc/15/93/81/563159381.db2.gz VBKBLYBCYNJNSW-NRFANRHFSA-N 0 0 486.398 6.358 1 0 JKAFRN C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)[C@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950782 563159475 /nfs/dbraw/zinc/15/94/75/563159475.db2.gz RKZJVJMWRATIOY-UWPCIJAGSA-N 0 0 470.650 6.457 1 0 JKAFRN C=C[C@](C)(CC/C=C(\C)CCC[C@@H](C)[C@H](O)/C=C/C(=C)C)Oc1ccc(O)cc1CC(=O)OC ZINC000040950784 563159492 /nfs/dbraw/zinc/15/94/92/563159492.db2.gz RKZJVJMWRATIOY-ZKBJILCESA-N 0 0 470.650 6.457 1 0 JKAFRN N=C1S/C(=C\c2cc(Cc3ccccc3)[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1 ZINC000040952169 563159866 /nfs/dbraw/zinc/15/98/66/563159866.db2.gz UQICMRZYFKDGPV-QNPCYTEQSA-N 0 0 460.559 5.924 1 0 JKAFRN CC(C)Cc1ccc([C@H](C)c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000040952476 563159945 /nfs/dbraw/zinc/15/99/45/563159945.db2.gz AXRNFUIHTUMKIS-AWEZNQCLSA-N 0 0 461.418 6.422 1 0 JKAFRN CN(C)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040953113 563160209 /nfs/dbraw/zinc/16/02/09/563160209.db2.gz LBOKBFNJUVLEJF-UHFFFAOYSA-N 0 0 458.609 6.944 1 0 JKAFRN CCOC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040953718 563160323 /nfs/dbraw/zinc/16/03/23/563160323.db2.gz QBXSLMBKGLMECO-UHFFFAOYSA-N 0 0 487.603 7.054 1 0 JKAFRN COc1ccc(Cl)cc1Nc1nc2c(s1)CCCc1nc(NC(=O)C(C)(C)C)sc1-2 ZINC000040954275 563160451 /nfs/dbraw/zinc/16/04/51/563160451.db2.gz JNKRLLOIKZMSCK-UHFFFAOYSA-N 0 0 463.028 6.146 1 0 JKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Cl)cc1 ZINC000040955097 563160629 /nfs/dbraw/zinc/16/06/29/563160629.db2.gz FNWWLRGUKDWIKJ-UHFFFAOYSA-N 0 0 469.371 5.430 1 0 JKAFRN O=C(O[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cc(CO)cc(C(=O)O[C@H]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000040956840 563161004 /nfs/dbraw/zinc/16/10/04/563161004.db2.gz YVGUBLNADARCND-GFNLNDANSA-N 0 0 468.634 6.210 1 0 JKAFRN O=C1C[C@H]1N1CCC[C@@](c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000040957269 563161090 /nfs/dbraw/zinc/16/10/90/563161090.db2.gz CIBZRZOTARLCOQ-AOYPEHQESA-N 0 0 467.451 5.036 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(-c2csc(N)n2)cc1 ZINC000040972776 563161386 /nfs/dbraw/zinc/16/13/86/563161386.db2.gz IYHRWNVGGMWOQE-UHFFFAOYSA-N 0 0 455.587 5.615 1 0 JKAFRN CN(C)c1cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)[O-])c1 ZINC000040973538 563161584 /nfs/dbraw/zinc/16/15/84/563161584.db2.gz KUTUYKMEQJYEPW-NVQXNPDNSA-N 0 0 480.992 5.077 1 0 JKAFRN CSc1nccn1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000040973588 563161585 /nfs/dbraw/zinc/16/15/85/563161585.db2.gz ACOGDAFKFRVNDY-UHFFFAOYSA-N 0 0 470.429 6.167 1 0 JKAFRN O=C([O-])c1cc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)ccc1Cl ZINC000040973543 563161587 /nfs/dbraw/zinc/16/15/87/563161587.db2.gz BLAWJFJGVBTSJF-CYFREDJKSA-N 0 0 472.368 5.664 1 0 JKAFRN COc1c(Br)cc(Br)cc1[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000040973929 563161642 /nfs/dbraw/zinc/16/16/42/563161642.db2.gz YHHOHGTZOHIWTR-CQSZACIVSA-N 0 0 497.130 6.025 1 0 JKAFRN CCc1c(C2=NC(=S)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040973972 563161687 /nfs/dbraw/zinc/16/16/87/563161687.db2.gz VAFRFEYFESMIGH-UHFFFAOYSA-N 0 0 491.875 6.860 1 0 JKAFRN CCSc1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000040976134 563162100 /nfs/dbraw/zinc/16/21/00/563162100.db2.gz FOYQEHAQUNUUQI-UHFFFAOYSA-N 0 0 494.491 8.038 1 0 JKAFRN CCc1c(C2=NC(=O)C3(CCCC3)N2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040976584 563162121 /nfs/dbraw/zinc/16/21/21/563162121.db2.gz RWLYOWXSBNGGDM-UHFFFAOYSA-N 0 0 487.818 6.251 1 0 JKAFRN O=C(Nc1cccc(SC(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1F ZINC000040976710 563162193 /nfs/dbraw/zinc/16/21/93/563162193.db2.gz XOJCHOTTZUFMTE-UHFFFAOYSA-N 0 0 479.415 5.439 1 0 JKAFRN O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O ZINC000040979271 563162344 /nfs/dbraw/zinc/16/23/44/563162344.db2.gz UYPLGNSBYMWJFY-UHFFFAOYSA-N 0 0 479.507 6.354 1 0 JKAFRN 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/nfs/dbraw/zinc/18/14/31/563181431.db2.gz MJZBDAXERCPSRY-UHFFFAOYSA-N 0 0 475.354 7.417 1 0 JKAFRN CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)cc2C(=O)NCCc2ccccc2F)cc1 ZINC000045245116 563181567 /nfs/dbraw/zinc/18/15/67/563181567.db2.gz OOMKIRFDZZDZSK-UHFFFAOYSA-N 0 0 455.577 6.008 1 0 JKAFRN O=C(NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)c1ccc(C(F)(F)F)cc1 ZINC000045245149 563181581 /nfs/dbraw/zinc/18/15/81/563181581.db2.gz OZDOALOAQBDLFY-INIZCTEOSA-N 0 0 452.738 5.109 1 0 JKAFRN COc1cc(OC)cc(C(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2ccc(C)cc2)c1 ZINC000045245314 563181632 /nfs/dbraw/zinc/18/16/32/563181632.db2.gz QIIRCFPZOQENJL-UHFFFAOYSA-N 0 0 457.570 6.434 1 0 JKAFRN CCCn1c2ccc(F)cc2nc1C1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000045245998 563181867 /nfs/dbraw/zinc/18/18/67/563181867.db2.gz QSHQFEMPFAZWAJ-QFIPXVFZSA-N 0 0 456.352 6.535 1 0 JKAFRN COc1cccc(CCNC(=O)c2cc(-c3ccccc3)nn2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000045253241 563182026 /nfs/dbraw/zinc/18/20/26/563182026.db2.gz FCHXIMQPGPEFHM-UHFFFAOYSA-N 0 0 467.613 5.877 1 0 JKAFRN Cc1nc2cc(C(=O)N[C@@H]3CCCc4c3cnn4-c3ccc(OC(F)(F)F)cc3)ccc2s1 ZINC000045253186 563182046 /nfs/dbraw/zinc/18/20/46/563182046.db2.gz CPHNNSWTKHVPQG-GOSISDBHSA-N 0 0 472.492 5.496 1 0 JKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2CSCc2cccs2)c1 ZINC000045253326 563182068 /nfs/dbraw/zinc/18/20/68/563182068.db2.gz CTKYPTLNZIBHEE-UHFFFAOYSA-N 0 0 497.423 6.192 1 0 JKAFRN Fc1ccc(-c2ccc(-c3cnc4c(-c5nn[nH]n5)cnn4c3C3CCCCC3)cc2)cc1F ZINC000045253458 563182164 /nfs/dbraw/zinc/18/21/64/563182164.db2.gz WNDAUQJVKVVWEW-UHFFFAOYSA-N 0 0 457.488 5.569 1 0 JKAFRN O=C(CCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1Cc1ccccc1 ZINC000045253636 563182205 /nfs/dbraw/zinc/18/22/05/563182205.db2.gz FVSKSOSEQFENDH-UHFFFAOYSA-N 0 0 453.590 5.910 1 0 JKAFRN COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc32)c1 ZINC000045256341 563182726 /nfs/dbraw/zinc/18/27/26/563182726.db2.gz HTHSCSZFMKBAET-UHFFFAOYSA-N 0 0 489.597 5.216 1 0 JKAFRN CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4ccc(C[NH3+])cc4)c3)c(F)cc2F)c1 ZINC000045258639 563182960 /nfs/dbraw/zinc/18/29/60/563182960.db2.gz OKSRCBSVJVFXEB-UHFFFAOYSA-N 0 0 491.494 5.834 1 0 JKAFRN S=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)Nc1cccc2ccccc21 ZINC000045258859 563182963 /nfs/dbraw/zinc/18/29/63/563182963.db2.gz WMWTYIDOPCLQCR-UHFFFAOYSA-N 0 0 455.974 6.989 1 0 JKAFRN CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO[C@H]2CCCCO2)cc1 ZINC000045259436 563183029 /nfs/dbraw/zinc/18/30/29/563183029.db2.gz CKHHQVMROGOBLC-OSBDDZKNSA-N 0 0 466.578 5.212 1 0 JKAFRN Cc1ccc(NC(=O)CSc2snnc2-c2ccc(Br)cc2Br)cc1 ZINC000045260688 563183203 /nfs/dbraw/zinc/18/32/03/563183203.db2.gz NYFOFIKODKSIFP-UHFFFAOYSA-N 0 0 499.253 5.769 1 0 JKAFRN CC(=O)c1ccc(NC(=O)CSc2snnc2-c2ccc3ccccc3c2)c(Br)c1 ZINC000045261411 563183262 /nfs/dbraw/zinc/18/32/62/563183262.db2.gz IETQPOBTCGKJEG-UHFFFAOYSA-N 0 0 498.427 6.054 1 0 JKAFRN CCCCn1cc2c(n1)nc(NC(=O)Cc1ccc(-c3ccccc3)cc1)n1nc(-c3ccco3)nc21 ZINC000045261858 563183338 /nfs/dbraw/zinc/18/33/38/563183338.db2.gz ZGRPHXBYYFJHFB-UHFFFAOYSA-N 0 0 491.555 5.382 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NCc2ccc(Cl)cc2)nn1-c1ccc(F)cc1F ZINC000045262052 563183353 /nfs/dbraw/zinc/18/33/53/563183353.db2.gz KKJGXDVXJITZGR-UHFFFAOYSA-N 0 0 454.908 5.450 1 0 JKAFRN COc1cc(C)c(O)c(C/C=C(\C)C[C@]2(O)C[C@@]3(C)CCC[C@]3(C)C(=O)[C@@H]2CC(C)(C)O)c1 ZINC000045284175 563183622 /nfs/dbraw/zinc/18/36/22/563183622.db2.gz WACUKVKVDBBXHA-VCJLGCGKSA-N 0 0 458.639 5.266 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045284142 563183644 /nfs/dbraw/zinc/18/36/44/563183644.db2.gz PEGSXMRMFDKNOF-UHFFFAOYSA-N 0 0 475.979 5.999 1 0 JKAFRN COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl ZINC000045284601 563183688 /nfs/dbraw/zinc/18/36/88/563183688.db2.gz NDZJQDZKTAJEHO-UHFFFAOYSA-N 0 0 490.383 6.170 1 0 JKAFRN Cc1cccc(C(=O)[O-])c1Oc1nc(Oc2cccc(-c3cccc(C[NH3+])c3)c2)c(F)cc1F ZINC000045286574 563184033 /nfs/dbraw/zinc/18/40/33/563184033.db2.gz WFXPSBJCVHWABK-UHFFFAOYSA-N 0 0 462.452 6.077 1 0 JKAFRN COC(=O)c1ccc(CCOc2cccc(-c3cccc(-c4nn[nH]n4)c3)c2)c2ccccc12 ZINC000045286419 563184037 /nfs/dbraw/zinc/18/40/37/563184037.db2.gz PAJNTLSRMIQOMW-UHFFFAOYSA-N 0 0 450.498 5.095 1 0 JKAFRN Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(O)cc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045286236 563184064 /nfs/dbraw/zinc/18/40/64/563184064.db2.gz HITMUBIYWGPIML-UHFFFAOYSA-N 0 0 478.451 5.782 1 0 JKAFRN CN(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045286229 563184077 /nfs/dbraw/zinc/18/40/77/563184077.db2.gz XKVAGACUTCIAMJ-UHFFFAOYSA-N 0 0 491.494 5.834 1 0 JKAFRN Cc1ccc([C@@H]2C(c3ccc(Cl)cc3)=NO[C@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000045286954 563184126 /nfs/dbraw/zinc/18/41/26/563184126.db2.gz ZPLORKKUAASJBY-LVPRMVSMSA-N 0 0 458.989 5.941 1 0 JKAFRN COc1ccc(-c2c(-c3ccc(OC)c(O)c3)cn3c2-c2cc(OC)c(OC)cc2CC3)cc1 ZINC000045290828 563184925 /nfs/dbraw/zinc/18/49/25/563184925.db2.gz KJXSHOWZGGLWTA-UHFFFAOYSA-N 0 0 457.526 5.785 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc(CCc2ccc(O)cc2)c1 ZINC000045290991 563184934 /nfs/dbraw/zinc/18/49/34/563184934.db2.gz TYJQTSNBDAHITD-UHFFFAOYSA-N 0 0 481.162 6.592 1 0 JKAFRN N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000045298626 563185149 /nfs/dbraw/zinc/18/51/49/563185149.db2.gz KREMLOQARZBXIC-UHFFFAOYSA-N 0 0 463.571 6.161 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn1-c1ccc(Cl)c(Cl)c1 ZINC000045299626 563185358 /nfs/dbraw/zinc/18/53/58/563185358.db2.gz YTNATBWTFKMMIN-UHFFFAOYSA-N 0 0 497.470 6.594 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc(CCc2ccccc2)c1 ZINC000045300618 563185575 /nfs/dbraw/zinc/18/55/75/563185575.db2.gz YDTATDXEIIVAQM-UHFFFAOYSA-N 0 0 465.163 6.886 1 0 JKAFRN Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(-c2ccccn2)nc1C ZINC000045300790 563185659 /nfs/dbraw/zinc/18/56/59/563185659.db2.gz KRRQSGNCPSWLHB-UHFFFAOYSA-N 0 0 453.546 5.528 1 0 JKAFRN Cn1ccnc1CNC(=O)c1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045301206 563185671 /nfs/dbraw/zinc/18/56/71/563185671.db2.gz JZGNSZRCEXDQCG-UHFFFAOYSA-N 0 0 481.503 5.641 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl ZINC000045301121 563185694 /nfs/dbraw/zinc/18/56/94/563185694.db2.gz DKASLTCDRLHHOG-UHFFFAOYSA-N 0 0 473.791 6.801 1 0 JKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1)Nc1ccc(F)c(F)c1F ZINC000045301259 563185772 /nfs/dbraw/zinc/18/57/72/563185772.db2.gz ZOQAZXUJGOIHDQ-UHFFFAOYSA-N 0 0 476.433 7.097 1 0 JKAFRN O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cccc(C(F)(F)F)n2)on1 ZINC000045301538 563185817 /nfs/dbraw/zinc/18/58/17/563185817.db2.gz COGOKAALKMEACZ-QZTJIDSGSA-N 0 0 455.480 5.835 1 0 JKAFRN COC(=O)[C@H](NC(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)c1ccc(O)cc1 ZINC000045302174 563186118 /nfs/dbraw/zinc/18/61/18/563186118.db2.gz USKIMIZNZQOIQG-XMMPIXPASA-N 0 0 483.549 5.308 1 0 JKAFRN COC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1)c1ccc(O)cc1 ZINC000045302175 563186146 /nfs/dbraw/zinc/18/61/46/563186146.db2.gz USKIMIZNZQOIQG-DEOSSOPVSA-N 0 0 483.549 5.308 1 0 JKAFRN O=C(Cc1cccnc1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045302351 563186270 /nfs/dbraw/zinc/18/62/70/563186270.db2.gz RWXWBGQGIDZMOQ-UHFFFAOYSA-N 0 0 472.470 6.492 1 0 JKAFRN NC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 ZINC000045302343 563186334 /nfs/dbraw/zinc/18/63/34/563186334.db2.gz VFKJLJHJVDGIEL-UHFFFAOYSA-N 0 0 462.509 5.013 1 0 JKAFRN Cn1cncc1C(=O)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045302761 563186709 /nfs/dbraw/zinc/18/67/09/563186709.db2.gz YQBHDQSSYYZCBR-UHFFFAOYSA-N 0 0 461.447 5.902 1 0 JKAFRN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)cc3)c2)cc1 ZINC000045303099 563187122 /nfs/dbraw/zinc/18/71/22/563187122.db2.gz SUPVGIRJGFWGSA-UHFFFAOYSA-N 0 0 494.526 6.857 1 0 JKAFRN Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 ZINC000045314659 563187322 /nfs/dbraw/zinc/18/73/22/563187322.db2.gz JTYHHTUGNXKIGP-JOCHJYFZSA-N 0 0 479.943 5.088 1 0 JKAFRN CC(=O)Nc1ccc2c(c1)nc(C1C(C)=Nc3ccnn3[C@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000045315365 563187327 /nfs/dbraw/zinc/18/73/27/563187327.db2.gz FCGLYXNJMRCXHG-QFIPXVFZSA-N 0 0 467.360 5.481 1 0 JKAFRN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)n2ncnc2N3C)cc1 ZINC000045315841 563187421 /nfs/dbraw/zinc/18/74/21/563187421.db2.gz BBXDHIOIHODHLG-RSXGOPAZSA-N 0 0 499.412 6.187 1 0 JKAFRN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)c1 ZINC000045315957 563187440 /nfs/dbraw/zinc/18/74/40/563187440.db2.gz QCROHOPYWAXTJR-UHFFFAOYSA-N 0 0 452.539 6.169 1 0 JKAFRN CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)n2ncnc2N3C)cc1 ZINC000045315850 563187445 /nfs/dbraw/zinc/18/74/45/563187445.db2.gz BBXDHIOIHODHLG-AHWVRZQESA-N 0 0 499.412 6.187 1 0 JKAFRN O=C(CSc1snnc1-c1ccc(Br)cc1Br)Nc1ccccc1 ZINC000045316175 563187448 /nfs/dbraw/zinc/18/74/48/563187448.db2.gz IZUPZKXMIBTLQH-UHFFFAOYSA-N 0 0 485.226 5.461 1 0 JKAFRN COc1cccc(NC(=O)Nc2ccc(C)c(-c3ccc(C(=O)Nc4ccncc4)cc3)c2)c1 ZINC000045316888 563187527 /nfs/dbraw/zinc/18/75/27/563187527.db2.gz QTRLZCZKVXZYQD-UHFFFAOYSA-N 0 0 452.514 5.962 1 0 JKAFRN Cc1cc(Oc2nc3c4c(nc(C)c3c(=O)n2-c2ccccc2)sc2c4CCCC2)ccc1Cl ZINC000045317403 563187628 /nfs/dbraw/zinc/18/76/28/563187628.db2.gz VGYQHIIGQMHNGG-UHFFFAOYSA-N 0 0 488.012 6.937 1 0 JKAFRN Cc1c(C(=O)NCCc2ccc(Cl)cc2Cl)nn(-c2ccc(F)cc2F)c1-n1cccc1 ZINC000045318148 563187704 /nfs/dbraw/zinc/18/77/04/563187704.db2.gz CZIITECPJJGHFF-UHFFFAOYSA-N 0 0 475.326 5.529 1 0 JKAFRN COCCN1C(=S)N=NC1c1cnc2c(cccc2C(F)(F)F)c1NCCC(C)(C)C ZINC000045318717 563187718 /nfs/dbraw/zinc/18/77/18/563187718.db2.gz BKTFKZQGZDMEKF-UHFFFAOYSA-N 0 0 453.534 5.295 1 0 JKAFRN CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cc(C(F)(F)F)ccc2n1C ZINC000045318184 563187729 /nfs/dbraw/zinc/18/77/29/563187729.db2.gz LPCVZVMPDVFMLI-HXUWFJFHSA-N 0 0 478.305 6.542 1 0 JKAFRN CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)C1c1nc2cc(C(F)(F)F)ccc2n1C ZINC000045318180 563187734 /nfs/dbraw/zinc/18/77/34/563187734.db2.gz LPCVZVMPDVFMLI-FQEVSTJZSA-N 0 0 478.305 6.542 1 0 JKAFRN CCCC[C@@H](Oc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F)c1cc(C(=O)OCC)no1 ZINC000045318024 563187735 /nfs/dbraw/zinc/18/77/35/563187735.db2.gz OPTWCGFVXVFAHB-OAHLLOKOSA-N 0 0 490.400 6.747 1 0 JKAFRN Cc1cc(-c2ccc(S(=O)(=O)[N-]c3cc4c(cc3OC(C)C)CC[N@@H+](C)CC4)cc2)ccc1Cl ZINC000045319233 563187791 /nfs/dbraw/zinc/18/77/91/563187791.db2.gz ADLTVVMBMSKIQA-UHFFFAOYSA-N 0 0 499.076 5.934 1 0 JKAFRN Cc1nc(C)c(CC(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)s1 ZINC000045321761 563188240 /nfs/dbraw/zinc/18/82/40/563188240.db2.gz DVNNUBZRUNBOLA-UHFFFAOYSA-N 0 0 452.583 6.460 1 0 JKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1)c1csnn1 ZINC000045322723 563188541 /nfs/dbraw/zinc/18/85/41/563188541.db2.gz AMANYWMKYUSGBL-UHFFFAOYSA-N 0 0 465.460 6.020 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1 ZINC000045323126 563188792 /nfs/dbraw/zinc/18/87/92/563188792.db2.gz 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O=C(OC[C@@]1(CO)C/C(=C/c2ccccc2C(F)(F)F)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000045497146 563196035 /nfs/dbraw/zinc/19/60/35/563196035.db2.gz SSDHVHAQGOIIMQ-PJCRJCBDSA-N 0 0 496.481 5.142 1 0 JKAFRN O=C1/C(=C/c2cccc(Oc3ccccc3)c2)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000045497452 563196129 /nfs/dbraw/zinc/19/61/29/563196129.db2.gz WMOCBDDRTIFLQD-OQKWZONESA-N 0 0 458.344 8.005 1 0 JKAFRN O=C1O[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)C(c2ccc(F)cc2)C1=O ZINC000045497921 563196204 /nfs/dbraw/zinc/19/62/04/563196204.db2.gz UGAYWUWEBQKWHL-LJAQVGFWSA-N 0 0 482.507 6.551 1 0 JKAFRN CCO[C@H](Cc1ccc(OCC[N@H+]2CC=C(c3cc(Cl)ccc3Cl)CC2)cc1)C(=O)[O-] ZINC000045506158 563196374 /nfs/dbraw/zinc/19/63/74/563196374.db2.gz REVYCIWOXCOREK-HSZRJFAPSA-N 0 0 464.389 5.194 1 0 JKAFRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000045505775 563196411 /nfs/dbraw/zinc/19/64/11/563196411.db2.gz PRTLPCCWLFLSPD-JCJNWAOQSA-N 0 0 468.722 7.530 1 0 JKAFRN CC(=O)Nc1ccc(NC(=O)c2c3onc(Nc4cccc(C(F)(F)F)c4)c3ccc2Cl)cn1 ZINC000045506685 563196454 /nfs/dbraw/zinc/19/64/54/563196454.db2.gz UEMPLTVVIZKLPN-UHFFFAOYSA-N 0 0 489.841 5.849 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C[C@@H](O)C[C@]34C)[C@]1(C)CC2 ZINC000048998858 563196718 /nfs/dbraw/zinc/19/67/18/563196718.db2.gz YZOLGBVVXTYMTM-WHOKMKORSA-N 0 0 470.738 7.322 1 0 JKAFRN CC(C)c1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(C(C)C)cc5)O4)cc3)O2)cc1 ZINC000048998881 563196742 /nfs/dbraw/zinc/19/67/42/563196742.db2.gz VHEZHJKMSZJHEH-NSOVKSMOSA-N 0 0 456.542 6.748 1 0 JKAFRN FC(F)(F)c1ccc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc54)cc3)nc2c1 ZINC000049000135 563196958 /nfs/dbraw/zinc/19/69/58/563196958.db2.gz KJNIEZXVUCYTSQ-UHFFFAOYSA-N 0 0 454.481 5.985 1 0 JKAFRN c1ccc2sc(NCCc3ccc(NC4=N[C@H](C5CCCCC5)CCS4)cc3)nc2c1 ZINC000049032960 563198117 /nfs/dbraw/zinc/19/81/17/563198117.db2.gz GLVKAYKLNOEKGA-NRFANRHFSA-N 0 0 450.677 6.805 1 0 JKAFRN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cc2)CCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000049032986 563198135 /nfs/dbraw/zinc/19/81/35/563198135.db2.gz ZMAZHOAGBMLOSO-SFHVURJKSA-N 0 0 457.961 5.475 1 0 JKAFRN COc1ccc(C)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 ZINC000049033576 563198196 /nfs/dbraw/zinc/19/81/96/563198196.db2.gz CTBAIXMGKDLRMD-UHFFFAOYSA-N 0 0 479.544 5.364 1 0 JKAFRN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCc4ccncc4)[C@@H]2N3C)cc1 ZINC000049034168 563198333 /nfs/dbraw/zinc/19/83/33/563198333.db2.gz YSWSTCPJOBIUIS-YTMVLYRLSA-N 0 0 470.617 5.798 1 0 JKAFRN C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccccc3C(F)(F)F)cc2)C1 ZINC000049034013 563198389 /nfs/dbraw/zinc/19/83/89/563198389.db2.gz JAJFLSQZGKSQFF-AREMUKBSSA-N 0 0 452.520 6.636 1 0 JKAFRN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCc4cccnc4)[C@@H]2N3C)cc1 ZINC000049034166 563198419 /nfs/dbraw/zinc/19/84/19/563198419.db2.gz IVUNVRNLNHSVHE-YTMVLYRLSA-N 0 0 470.617 5.798 1 0 JKAFRN CCn1nc(C)c2c1CCN([C@@H](C(=O)NC)c1ccccc1)[C@H]2CCc1ccc(C(F)(F)F)cc1 ZINC000049034350 563198486 /nfs/dbraw/zinc/19/84/86/563198486.db2.gz VDTFQQQTVJPZLY-WIOPSUGQSA-N 0 0 484.566 5.250 1 0 JKAFRN COc1ccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)cc1 ZINC000049034821 563198537 /nfs/dbraw/zinc/19/85/37/563198537.db2.gz XLWMJSMQIMYFEB-UHFFFAOYSA-N 0 0 465.517 5.056 1 0 JKAFRN C[C@H](O)CNc1nccc(-n2ccnc2-c2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2)n1 ZINC000049034978 563198579 /nfs/dbraw/zinc/19/85/79/563198579.db2.gz NOIUXDGFLGOPPS-AWEZNQCLSA-N 0 0 498.374 5.073 1 0 JKAFRN CC(=O)Nc1cccc(-c2cc(Cl)c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2Cl)c1 ZINC000049035297 563198646 /nfs/dbraw/zinc/19/86/46/563198646.db2.gz QLKOGILBDRDUIZ-IQGLISFBSA-N 0 0 459.417 6.660 1 0 JKAFRN CC1(C)C[C@@H](NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2O1 ZINC000049035010 563198683 /nfs/dbraw/zinc/19/86/83/563198683.db2.gz XFJREZUFRMFGKX-HXUWFJFHSA-N 0 0 457.357 5.433 1 0 in-vivo JKAFRN Cn1cc2c(n1)CCc1c3c(c4cc([C@@H]5CCCCO5)ccc4n3C3CCCCC3)c3c(c1-2)C(=O)NC3 ZINC000049036589 563199010 /nfs/dbraw/zinc/19/90/10/563199010.db2.gz BVMNEXLWCLAYGS-SANMLTNESA-N 0 0 494.639 6.284 1 0 JKAFRN Cn1cc2c(n1)CCc1c3c(c4cc([C@H]5CCCCO5)ccc4n3C3CCCCC3)c3c(c1-2)C(=O)NC3 ZINC000049036591 563199025 /nfs/dbraw/zinc/19/90/25/563199025.db2.gz BVMNEXLWCLAYGS-AREMUKBSSA-N 0 0 494.639 6.284 1 0 JKAFRN Brc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1 ZINC000049046892 563199425 /nfs/dbraw/zinc/19/94/25/563199425.db2.gz DXLCBBQTFJPUNW-UHFFFAOYSA-N 0 0 493.202 7.417 1 0 JKAFRN O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1ccccc1F ZINC000049047024 563199539 /nfs/dbraw/zinc/19/95/39/563199539.db2.gz BXFUASFZFGJZOR-UHFFFAOYSA-N 0 0 453.481 5.187 1 0 JKAFRN Cc1cccc(C(=O)Nn2c(CC3CCCCC3)nc3c(n[nH]c3-c3ccc(Cl)cc3)c2=O)c1 ZINC000049053794 563200269 /nfs/dbraw/zinc/20/02/69/563200269.db2.gz ILLDAVHWKOCNHO-UHFFFAOYSA-N 0 0 475.980 5.255 1 0 JKAFRN COc1cccc2c1[nH]c1c2c(OC)cnc1CC[C@H](OC)c1nccc2c3ccccc3[nH]c21 ZINC000049054095 563200342 /nfs/dbraw/zinc/20/03/42/563200342.db2.gz PWYKKQVFQMAMNL-QFIPXVFZSA-N 0 0 466.541 6.083 1 0 JKAFRN COc1cccc2c1[nH]c1c2c(OC)cnc1CC[C@@H](OC)c1nccc2c3ccccc3[nH]c21 ZINC000049054098 563200363 /nfs/dbraw/zinc/20/03/63/563200363.db2.gz PWYKKQVFQMAMNL-JOCHJYFZSA-N 0 0 466.541 6.083 1 0 JKAFRN Cn1cncc1-c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1 ZINC000049068318 563200955 /nfs/dbraw/zinc/20/09/55/563200955.db2.gz LCQRBHGZPAFKKF-UHFFFAOYSA-N 0 0 462.435 5.068 1 0 JKAFRN CC(C)[C@H](C#CC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O/C=C/C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000049069442 563201102 /nfs/dbraw/zinc/20/11/02/563201102.db2.gz GLDKDHGCXFKPPE-JKNITFFSSA-N 0 0 488.709 6.553 1 0 JKAFRN Cc1ccccc1-n1c(=O)c2ccccc2nc1-c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000049069604 563201105 /nfs/dbraw/zinc/20/11/05/563201105.db2.gz GIYMIFDDUKDXGL-UHFFFAOYSA-N 0 0 480.593 5.321 1 0 JKAFRN O=C(Nc1cccc(-c2ncnc3cc(-c4cccnc4)sc32)c1)c1cccc(C(F)(F)F)c1 ZINC000049070599 563201182 /nfs/dbraw/zinc/20/11/82/563201182.db2.gz AZHSYTBMRGLCFB-UHFFFAOYSA-N 0 0 476.483 6.691 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2cccc(Cl)c2)c2ccc(Cl)cc2Cl)CC1 ZINC000049070679 563201280 /nfs/dbraw/zinc/20/12/80/563201280.db2.gz IUMLKAWPFRUDQL-HSZRJFAPSA-N 0 0 480.867 6.396 1 0 JKAFRN COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc21 ZINC000049071641 563201384 /nfs/dbraw/zinc/20/13/84/563201384.db2.gz BIDDLRZUESRXIV-UHFFFAOYSA-N 0 0 499.607 5.625 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c43)cc2)n(-c2ccccc2)n1 ZINC000049071774 563201404 /nfs/dbraw/zinc/20/14/04/563201404.db2.gz XMBGTTPRIOAFMM-UHFFFAOYSA-N 0 0 483.532 5.171 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3S[C@@H]2c2cccc(OC)c2)cc1 ZINC000049072558 563201466 /nfs/dbraw/zinc/20/14/66/563201466.db2.gz AWPOPZLOEFETJW-FVQUOCSTSA-N 0 0 494.616 7.373 1 0 JKAFRN Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3Cc3ccccn3)c2Cl)cc1 ZINC000049072988 563201530 /nfs/dbraw/zinc/20/15/30/563201530.db2.gz NNKFXEHLEOZRMZ-UHFFFAOYSA-N 0 0 486.963 5.038 1 0 JKAFRN C[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)N2CC[C@@H]3C=CC=C[C@@H]3C2)ccn1)c1ccccc1 ZINC000049087588 563201546 /nfs/dbraw/zinc/20/15/46/563201546.db2.gz MZDVFSSURVBLHN-UCGXPXSYSA-N 0 0 482.603 6.585 1 0 JKAFRN Cn1c(=O)[nH]c2c1nccc2Oc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 ZINC000049087818 563201609 /nfs/dbraw/zinc/20/16/09/563201609.db2.gz YPUOZONQXISICC-UHFFFAOYSA-N 0 0 497.559 5.181 1 0 JKAFRN C[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)N2CC[C@H]3C=CC=C[C@H]3C2)ccn1)c1ccccc1 ZINC000049087597 563201623 /nfs/dbraw/zinc/20/16/23/563201623.db2.gz MZDVFSSURVBLHN-DFCKQENNSA-N 0 0 482.603 6.585 1 0 JKAFRN O=C(Nc1ccc(F)cc1F)c1nccnc1Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1 ZINC000049088210 563201646 /nfs/dbraw/zinc/20/16/46/563201646.db2.gz MHWOEFYKEQWZSW-UHFFFAOYSA-N 0 0 476.418 5.558 1 0 JKAFRN Cc1cc(OC[P@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)c2c(c1C)Cc1scnc1-2 ZINC000049088147 563201679 /nfs/dbraw/zinc/20/16/79/563201679.db2.gz JMEWMZJZKKQIDU-YRVHBCJASA-N 0 0 461.907 6.692 1 0 JKAFRN COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3nn(CCc4ccccc4)cc32)cc1 ZINC000049088395 563201705 /nfs/dbraw/zinc/20/17/05/563201705.db2.gz FOHWYCWAJRLLBM-UHFFFAOYSA-N 0 0 464.529 5.389 1 0 JKAFRN Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(O)cc3)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049088481 563201717 /nfs/dbraw/zinc/20/17/17/563201717.db2.gz AURYUJSBYSTCGY-AZUOUTSGSA-N 0 0 485.008 7.715 1 0 JKAFRN O=C(N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000049088897 563201719 /nfs/dbraw/zinc/20/17/19/563201719.db2.gz KYROHQXGJFYIGB-CEKVKBHZSA-N 0 0 483.483 6.443 1 0 JKAFRN c1ccc2c(c1)[nH]c1c2CCN(CCCCCCCCCCN2CCc3c4ccccc4[nH]c3C2)C1 ZINC000049088933 563201765 /nfs/dbraw/zinc/20/17/65/563201765.db2.gz MPNMJERUXOWHCO-UHFFFAOYSA-N 0 0 482.716 7.186 1 0 JKAFRN CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)OCC)nc(C)c21 ZINC000049089090 563201809 /nfs/dbraw/zinc/20/18/09/563201809.db2.gz WXLDJKXEFJCUHN-DEOSSOPVSA-N 0 0 457.574 5.202 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3S[C@H]2c2ccc(O)cc2)cc1 ZINC000049089581 563201941 /nfs/dbraw/zinc/20/19/41/563201941.db2.gz JWKFUJHNILRFFM-LRNOEHBCSA-N 0 0 480.589 7.070 1 0 JKAFRN CC(C)n1c2ccc([C@@H]3CCCCO3)cc2c2c3c(c4c(c21)CCc1nn(C)cc1-4)C(=O)NC3 ZINC000049110090 563202173 /nfs/dbraw/zinc/20/21/73/563202173.db2.gz AKAUSOQEQIKBNW-QHCPKHFHSA-N 0 0 454.574 5.360 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3O[C@@H]2c2cccc(OC)c2)cc1 ZINC000049110279 563202204 /nfs/dbraw/zinc/20/22/04/563202204.db2.gz APKHMRROTQAZBI-FVQUOCSTSA-N 0 0 478.548 6.660 1 0 JKAFRN CCCc1cnc2c(cccc2C(F)(F)F)c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000049111459 563202274 /nfs/dbraw/zinc/20/22/74/563202274.db2.gz DPAWQSUVLANLRD-UHFFFAOYSA-N 0 0 469.528 6.944 1 0 JKAFRN CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C3CC3)c2[C@@H](O)C1 ZINC000049112052 563202383 /nfs/dbraw/zinc/20/23/83/563202383.db2.gz JSZWMKRDXTVVRC-FQEVSTJZSA-N 0 0 457.536 6.872 1 0 JKAFRN CC(=O)N[C@@H]1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049112594 563202489 /nfs/dbraw/zinc/20/24/89/563202489.db2.gz GJOOHWJFYSUFIU-OAQYLSRUSA-N 0 0 475.803 7.114 1 0 JKAFRN O=C1CC2(CCS(=O)(=O)CC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049112763 563202498 /nfs/dbraw/zinc/20/24/98/563202498.db2.gz XURGCSXOVSOUHR-UHFFFAOYSA-N 0 0 488.392 5.635 1 0 JKAFRN Cc1ccc(-n2c(=O)c3ccccc3nc2-c2cc(-c3ccncc3)c(N3CCOCC3)s2)cc1 ZINC000049112829 563202538 /nfs/dbraw/zinc/20/25/38/563202538.db2.gz IOKHHFFGLWUILL-UHFFFAOYSA-N 0 0 480.593 5.321 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3O[C@@H]2c2ccc(O)cc2)cc1 ZINC000049113039 563202554 /nfs/dbraw/zinc/20/25/54/563202554.db2.gz GQFKJAGMGFLGGQ-LTHLYLQDSA-N 0 0 464.521 6.357 1 0 JKAFRN O=C(Nc1cccc(-c2ccnc3cc(-c4cccnc4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049113209 563202693 /nfs/dbraw/zinc/20/26/93/563202693.db2.gz HWXNOWYUIGQFRY-UHFFFAOYSA-N 0 0 459.431 5.729 1 0 JKAFRN CO[C@@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C ZINC000049113717 563202700 /nfs/dbraw/zinc/20/27/00/563202700.db2.gz LMTYJQQFAMWXIK-NDEPHWFRSA-N 0 0 469.972 5.531 1 0 JKAFRN COc1ccc([C@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000049113653 563202714 /nfs/dbraw/zinc/20/27/14/563202714.db2.gz FGRPTQBNAUZPGV-XMMPIXPASA-N 0 0 476.448 5.751 1 0 JKAFRN Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3-c3ccc(C)cc3)c2Cl)cc1 ZINC000049113468 563202731 /nfs/dbraw/zinc/20/27/31/563202731.db2.gz BMBGEOBOLHAIRE-UHFFFAOYSA-N 0 0 485.975 5.893 1 0 JKAFRN CCOC(=O)Cc1csc(NC(=O)[C@@H](CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1 ZINC000049114057 563202770 /nfs/dbraw/zinc/20/27/70/563202770.db2.gz MLKRLDYABJPSAM-INIZCTEOSA-N 0 0 455.407 5.858 1 0 JKAFRN CO[C@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccc(C)cc1)cc(=O)n2C ZINC000049115641 563202822 /nfs/dbraw/zinc/20/28/22/563202822.db2.gz NTMDDGNZOKIVIW-GDLZYMKVSA-N 0 0 483.999 5.839 1 0 JKAFRN CO[C@@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(F)c1)cc(=O)n2C ZINC000049115914 563202831 /nfs/dbraw/zinc/20/28/31/563202831.db2.gz WNXLHXSRRRMCDO-NDEPHWFRSA-N 0 0 487.962 5.670 1 0 JKAFRN Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc(NC(=O)c2ccco2)o1 ZINC000049116110 563202842 /nfs/dbraw/zinc/20/28/42/563202842.db2.gz CMUKPDCQCDLYCI-UHFFFAOYSA-N 0 0 485.302 6.339 1 0 JKAFRN Cc1cnc2c(cccc2C(F)(F)F)c1-c1cccc(-c2ccc(F)c(S(C)(=O)=O)c2)c1 ZINC000049126288 563202999 /nfs/dbraw/zinc/20/29/99/563202999.db2.gz BKINFWHEJAZZTL-UHFFFAOYSA-N 0 0 459.464 6.439 1 0 JKAFRN CCc1nc(C)c(CN2CCN(c3cccc4oc(-c5ccc(C(C)(C)C)cc5)nc43)CC2)[nH]1 ZINC000049126231 563203001 /nfs/dbraw/zinc/20/30/01/563203001.db2.gz NTWPPLHQMQRDNT-UHFFFAOYSA-N 0 0 457.622 5.708 1 0 JKAFRN CC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]23)C[C@@H](O)[C@H](OCCCO)[C@@H]1O ZINC000049677897 563203089 /nfs/dbraw/zinc/20/30/89/563203089.db2.gz KXLYTOWHSZWHSQ-GCFJWCLWSA-N 0 0 490.725 5.082 1 0 JKAFRN 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c1cnc2nc3c(c(NCCCCCCCNc4c5cccnc5nc5c4CCCC5)c2c1)CCCC3 ZINC000013473793 562966380 /nfs/dbraw/zinc/96/63/80/562966380.db2.gz CFMNRJWKHXEFOQ-UHFFFAOYSA-N 0 0 494.687 6.805 1 0 JKAFRN CS(=O)(=O)c1ccc(CSc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1 ZINC000013474281 562966669 /nfs/dbraw/zinc/96/66/69/562966669.db2.gz ZJMRFUBWMVWXMD-UHFFFAOYSA-N 0 0 451.548 5.041 1 0 JKAFRN C[S@@](=O)c1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000013474286 562966677 /nfs/dbraw/zinc/96/66/77/562966677.db2.gz AJNRSMOOOOIKIW-HKBQPEDESA-N 0 0 451.548 5.080 1 0 JKAFRN COc1ccc(-c2oc3cc(OC)ccc3c2[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013474198 562966703 /nfs/dbraw/zinc/96/67/03/562966703.db2.gz VHNSGYDXASYUOL-DEOSSOPVSA-N 0 0 450.487 5.225 1 0 JKAFRN CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c21)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000013474839 562966889 /nfs/dbraw/zinc/96/68/89/562966889.db2.gz GCMYOOAJYOMGJH-SSEXGKCCSA-N 0 0 496.607 5.887 1 0 JKAFRN COc1ccc2c(c1)CCN1Cc3c4c(ccc3O[C@@H]21)[nH]c(C)c4C(=O)OCc1ccccc1 ZINC000013474832 562966899 /nfs/dbraw/zinc/96/68/99/562966899.db2.gz RNEMFGJTTJMEDD-MHZLTWQESA-N 0 0 454.526 5.291 1 0 JKAFRN O=C([O-])c1cccc(NC(=O)Nc2ccccc2)c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000013475860 562967151 /nfs/dbraw/zinc/96/71/51/562967151.db2.gz CSDXAAUGKFBZOA-UHFFFAOYSA-N 0 0 461.537 5.623 1 0 JKAFRN CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)cc1c(c2O)C(=O)C[C@](C)(OC(C)=O)C1 ZINC000013480348 562967462 /nfs/dbraw/zinc/96/74/62/562967462.db2.gz YHJJTQGJZIXSQT-YOVUZZOLSA-N 0 0 452.547 5.773 1 0 biogenic,in-vitro JKAFRN COC(=O)c1cc(-c2ccc(Cl)cc2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487101 562967618 /nfs/dbraw/zinc/96/76/18/562967618.db2.gz VDRAHESOMILLRW-UHFFFAOYSA-N 0 0 461.732 6.462 1 0 JKAFRN COC(=O)c1cc(Sc2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487111 562967622 /nfs/dbraw/zinc/96/76/22/562967622.db2.gz RWCLAYSKRILSLO-UHFFFAOYSA-N 0 0 495.334 6.571 1 0 JKAFRN O=C(Nc1cc(F)ccc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487493 562967827 /nfs/dbraw/zinc/96/78/27/562967827.db2.gz RAADHZPXZGIAJF-UHFFFAOYSA-N 0 0 459.329 6.852 1 0 JKAFRN Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1sc2ccccc2c1Cl ZINC000013487491 562967867 /nfs/dbraw/zinc/96/78/67/562967867.db2.gz VCGZVERQHWNQSW-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN Nc1cccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000013487960 562968003 /nfs/dbraw/zinc/96/80/03/562968003.db2.gz DLMMAXIRKZBLPE-NDEPHWFRSA-N 0 0 477.520 5.527 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc(OC)c(OC)c3)nc2)cc1 ZINC000013487990 562968086 /nfs/dbraw/zinc/96/80/86/562968086.db2.gz BELMOGNPFBFMDN-LJAQVGFWSA-N 0 0 492.579 5.803 1 0 JKAFRN Cc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487974 562968125 /nfs/dbraw/zinc/96/81/25/562968125.db2.gz CQGOCTBZUHLIEX-NDEPHWFRSA-N 0 0 460.537 5.814 1 0 JKAFRN CCCCOP(=O)(CCCCSc1nc2ccc(OCC)cc2s1)OCCCC ZINC000013488980 562968391 /nfs/dbraw/zinc/96/83/91/562968391.db2.gz DJJCPJCMEUUJJV-UHFFFAOYSA-N 0 0 459.614 7.394 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1cncn1C ZINC000013489399 562968667 /nfs/dbraw/zinc/96/86/67/562968667.db2.gz DAJAUHDJUTUWBT-JILBELABSA-N 0 0 488.676 6.562 1 0 JKAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(Oc2ccccc2)cc1 ZINC000013490288 562969290 /nfs/dbraw/zinc/96/92/90/562969290.db2.gz FRAPRBYWYDEKLY-SANMLTNESA-N 0 0 475.589 5.348 1 0 JKAFRN CCOc1cc2nc(CN(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490829 562969326 /nfs/dbraw/zinc/96/93/26/562969326.db2.gz HMDJBCCQNPFTJV-UHFFFAOYSA-N 0 0 463.607 5.664 1 0 JKAFRN CCOc1cc2ncnc(Nc3cccc(-c4csc(-c5ccccc5)n4)c3)c2cc1OCC ZINC000013490774 562969331 /nfs/dbraw/zinc/96/93/31/562969331.db2.gz QTWCHVULPWQWNI-UHFFFAOYSA-N 0 0 468.582 6.961 1 0 JKAFRN CCOc1cc2nc(COC)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490827 562969333 /nfs/dbraw/zinc/96/93/33/562969333.db2.gz XAXGDINQGNHINN-UHFFFAOYSA-N 0 0 450.564 5.749 1 0 JKAFRN CCOc1ccc(-c2csc(C)n2)cc1Nc1ncnc2cc(OCC)c(OCC)cc21 ZINC000013490812 562969344 /nfs/dbraw/zinc/96/93/44/562969344.db2.gz VAUIVXCZTMIWGL-UHFFFAOYSA-N 0 0 450.564 6.001 1 0 JKAFRN CCOc1cc2nc(CN3CCCC3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490831 562969349 /nfs/dbraw/zinc/96/93/49/562969349.db2.gz WKQJQIBZGUGCDW-UHFFFAOYSA-N 0 0 489.645 6.199 1 0 JKAFRN CCOc1cc2ncnc(Nc3cccc(-c4csc(Cc5ccccc5)n4)c3)c2cc1OCC ZINC000013490775 562969357 /nfs/dbraw/zinc/96/93/57/562969357.db2.gz JDYAJAALARYTHT-UHFFFAOYSA-N 0 0 482.609 6.885 1 0 JKAFRN O[C@H](CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490895 562969395 /nfs/dbraw/zinc/96/93/95/562969395.db2.gz WVHGQUDCKQUUBX-OAQYLSRUSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@@H](Cc1ccccc1)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490929 562969416 /nfs/dbraw/zinc/96/94/16/562969416.db2.gz BCBYWZLIILQKJY-VWLOTQADSA-N 0 0 493.525 6.988 1 0 JKAFRN O[C@H](Cc1ccccc1)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000013490928 562969431 /nfs/dbraw/zinc/96/94/31/562969431.db2.gz BCBYWZLIILQKJY-RUZDIDTESA-N 0 0 493.525 6.988 1 0 JKAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@@H](C)C3)c2cc1OC ZINC000013491552 562969551 /nfs/dbraw/zinc/96/95/51/562969551.db2.gz OSYWVHQKLCIONH-IBGZPJMESA-N 0 0 499.571 5.182 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1 ZINC000013492667 562969881 /nfs/dbraw/zinc/96/98/81/562969881.db2.gz JNGNQZWCWJWYDP-UHFFFAOYSA-N 0 0 482.455 5.993 1 0 JKAFRN C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1 ZINC000013493172 562970275 /nfs/dbraw/zinc/97/02/75/562970275.db2.gz INIUOCWMNJACSH-JOCHJYFZSA-N 0 0 479.580 5.709 1 0 JKAFRN O=C(Nc1cccc2ccccc21)N[C@@H]1CCC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000013493810 562970361 /nfs/dbraw/zinc/97/03/61/562970361.db2.gz OURISPMWLZRKMI-FGZHOGPDSA-N 0 0 452.558 6.247 1 0 JKAFRN Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000013518371 562970606 /nfs/dbraw/zinc/97/06/06/562970606.db2.gz KZMCAKPKHKWIPL-UHFFFAOYSA-N 0 0 466.005 8.216 1 0 JKAFRN Cc1ccc(-c2c(-c3ccccc3)sc(N)c2C(=O)OCc2cccc(C(F)(F)F)c2)cc1 ZINC000013518307 562970617 /nfs/dbraw/zinc/97/06/17/562970617.db2.gz QWOURUAYYVAWDE-UHFFFAOYSA-N 0 0 467.512 7.349 1 0 JKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)Sc2ccccc2S1 ZINC000013524419 562971305 /nfs/dbraw/zinc/97/13/05/562971305.db2.gz ANYRPLTZNUMLQT-FGZHOGPDSA-N 0 0 480.739 9.024 1 0 JKAFRN CSc1nc(-c2ccnc(NCc3ccc(Cl)c(Cl)c3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000013524452 562971355 /nfs/dbraw/zinc/97/13/55/562971355.db2.gz OKGRQZVTGRLIKW-UHFFFAOYSA-N 0 0 459.377 6.919 1 0 JKAFRN C[C@@H](Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000013524470 562971360 /nfs/dbraw/zinc/97/13/60/562971360.db2.gz KMUBMDDTMBDGJK-HXUWFJFHSA-N 0 0 480.612 7.743 1 0 JKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)S[C@H](C)[C@@H](C)S1 ZINC000013524406 562971365 /nfs/dbraw/zinc/97/13/65/562971365.db2.gz DJOOJRWGFDDSJS-UGESXGAOSA-N 0 0 460.749 8.383 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1Br)Oc1ccc(F)cc1-3 ZINC000013527215 562971794 /nfs/dbraw/zinc/97/17/94/562971794.db2.gz PLBNJBDMVLYMMO-FMCGGJTJSA-N 0 0 462.362 7.753 1 0 JKAFRN CCOc1cc2c(cc1OC)ncnc2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013528674 562971904 /nfs/dbraw/zinc/97/19/04/562971904.db2.gz JGKOYPCMHIRHNF-UHFFFAOYSA-N 0 0 499.571 5.184 1 0 JKAFRN CC(C)(C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530103 562972166 /nfs/dbraw/zinc/97/21/66/562972166.db2.gz FRYBABKLHKFRGC-UHFFFAOYSA-N 0 0 454.570 5.307 1 0 JKAFRN Cc1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)sc3c2)c(Br)c1 ZINC000013533878 562972411 /nfs/dbraw/zinc/97/24/11/562972411.db2.gz GKRLGDOJJXUZFP-UHFFFAOYSA-N 0 0 476.396 6.275 1 0 JKAFRN CC[C@@H](NC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1)c1ccccc1 ZINC000013534056 562972457 /nfs/dbraw/zinc/97/24/57/562972457.db2.gz NGFDDWYJIWZAEU-LJQANCHMSA-N 0 0 479.005 6.783 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000013534512 562972483 /nfs/dbraw/zinc/97/24/83/562972483.db2.gz LXYUKGUIACRHIW-UHFFFAOYSA-N 0 0 475.470 5.968 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br ZINC000013534543 562972520 /nfs/dbraw/zinc/97/25/20/562972520.db2.gz GDZIUPSVNFJQPJ-UHFFFAOYSA-N 0 0 486.369 5.712 1 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](O)C=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545522 562973197 /nfs/dbraw/zinc/97/31/97/562973197.db2.gz LOBOMSGBFMNHBJ-PDPDYCDESA-N 0 0 458.727 6.112 3 0 JKAFRN CCCCN(CCc1ccncc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553442 562973338 /nfs/dbraw/zinc/97/33/38/562973338.db2.gz DEEDDHDSWTZXEY-UHFFFAOYSA-N 0 0 468.432 6.495 1 0 JKAFRN COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCCc1ccccc1)=C2 ZINC000013553845 562973491 /nfs/dbraw/zinc/97/34/91/562973491.db2.gz WKMREFASOUTEJR-SANMLTNESA-N 0 0 476.525 5.024 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(OC)c(OC)cc32)cc1)OCC ZINC000013556724 562973791 /nfs/dbraw/zinc/97/37/91/562973791.db2.gz MJKSTTVERTYFLX-JOCHJYFZSA-N 0 0 493.518 5.079 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)[C@H](C)S2)cc1)OCC ZINC000013556788 562973804 /nfs/dbraw/zinc/97/38/04/562973804.db2.gz JVTUHZIWJOWRCZ-HTAPYJJXSA-N 0 0 475.547 5.629 1 0 JKAFRN CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000013558231 562974265 /nfs/dbraw/zinc/97/42/65/562974265.db2.gz ZUQSGJVHRCARRM-QYWMCLPDSA-N 0 0 468.678 6.296 1 0 JKAFRN CC1(C)CC[C@]2(CO)CC[C@@]3(C)[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]3(O)[C@@H]2C1 ZINC000013558219 562974274 /nfs/dbraw/zinc/97/42/74/562974274.db2.gz VQALOHOVUFAXQO-LLQTWMEQSA-N 0 0 476.742 5.307 1 0 JKAFRN Cc1cc(=O)c(Oc2ccc(Br)cc2Cl)c(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000013581215 562975718 /nfs/dbraw/zinc/97/57/18/562975718.db2.gz DPYLMVIJRWFZIG-UHFFFAOYSA-N 0 0 469.740 5.227 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1 ZINC000013581289 562975821 /nfs/dbraw/zinc/97/58/21/562975821.db2.gz CVCBPGCZOPVFKB-UHFFFAOYSA-N 0 0 470.468 6.063 1 0 JKAFRN Fc1ccc(Nc2nccc(-c3c4cccnn4nc3-c3cccc(C(F)(F)F)c3)n2)cc1F ZINC000013582707 562975868 /nfs/dbraw/zinc/97/58/68/562975868.db2.gz QZNMZJGBBMCTDE-UHFFFAOYSA-N 0 0 468.389 5.894 1 0 JKAFRN CCc1nc2c(n1Cc1ccc(-c3ccccc3)cc1)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582826 562975889 /nfs/dbraw/zinc/97/58/89/562975889.db2.gz OBMRCUCLAQLJTR-UHFFFAOYSA-N 0 0 491.422 6.649 1 0 JKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@H](CC)N2c1ccc(Cl)cc1Cl ZINC000013582863 562975989 /nfs/dbraw/zinc/97/59/89/562975989.db2.gz FFMFDKHWLQEAOU-FQEVSTJZSA-N 0 0 451.442 6.853 1 0 JKAFRN C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000013584228 562976178 /nfs/dbraw/zinc/97/61/78/562976178.db2.gz TZLWATKWJLUXTA-IBGZPJMESA-N 0 0 451.151 5.589 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(OC)c3)[nH]c(=O)c12 ZINC000013585199 562976251 /nfs/dbraw/zinc/97/62/51/562976251.db2.gz CMBQTTRYXSWQAN-UHFFFAOYSA-N 0 0 477.779 5.539 1 0 JKAFRN CCCCCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(OC)c1OCCCCCC ZINC000013584625 562976299 /nfs/dbraw/zinc/97/62/99/562976299.db2.gz DLEWHAKWHGWVAI-UHFFFAOYSA-N 0 0 452.591 7.387 1 0 JKAFRN Oc1ccc(-c2nn3c(nc(-c4ccccc4)cc3-c3ccccc3)c2-c2ccc(O)cc2)cc1 ZINC000013585032 562976305 /nfs/dbraw/zinc/97/63/05/562976305.db2.gz CTQNRGPWENSSLG-UHFFFAOYSA-N 0 0 455.517 6.809 1 0 JKAFRN O=C(NC1CCCCC1)c1ccc2[nH]c(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)nc2c1 ZINC000013586371 562976630 /nfs/dbraw/zinc/97/66/30/562976630.db2.gz MBEZXIWXFVCRQE-UHFFFAOYSA-N 0 0 496.655 6.447 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 ZINC000013586599 562976710 /nfs/dbraw/zinc/97/67/10/562976710.db2.gz KKCWWVHNSBBMSH-MUUNZHRXSA-N 0 0 481.637 5.132 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3cccc(Cl)c3C2)cc1 ZINC000013586598 562976733 /nfs/dbraw/zinc/97/67/33/562976733.db2.gz GSNHVPKMVWPMEI-SANMLTNESA-N 0 0 472.029 5.435 1 0 JKAFRN CC(/C=C/C1=C(C)[C@@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C/C(=O)Nc1ccc(O)cc1 ZINC000013586660 562976798 /nfs/dbraw/zinc/97/67/98/562976798.db2.gz JHEWGPADVYIQFU-BEUJEERJSA-N 0 0 457.618 6.910 1 0 JKAFRN CC(/C=C/C1=C(C)[C@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C/C(=O)Nc1ccc(O)cc1 ZINC000013586661 562976817 /nfs/dbraw/zinc/97/68/17/562976817.db2.gz JHEWGPADVYIQFU-JWKSPLEOSA-N 0 0 457.618 6.910 1 0 JKAFRN O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013586756 562976821 /nfs/dbraw/zinc/97/68/21/562976821.db2.gz NWNGSBUSKJXPGS-FQEVSTJZSA-N 0 0 455.385 5.719 1 0 JKAFRN O=C1NCc2nc(Sc3cc(Cl)ccc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587246 562976989 /nfs/dbraw/zinc/97/69/89/562976989.db2.gz GQFHDADHAQFTBX-UHFFFAOYSA-N 0 0 471.196 7.208 1 0 JKAFRN O=C1NCc2nc(NCc3ccc(Cl)cc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587257 562977013 /nfs/dbraw/zinc/97/70/13/562977013.db2.gz FKUSFWIMTLOOKF-UHFFFAOYSA-N 0 0 468.171 6.669 1 0 JKAFRN Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013587826 562977423 /nfs/dbraw/zinc/97/74/23/562977423.db2.gz YLWZTUJNSOKAOC-AREMUKBSSA-N 0 0 476.363 5.520 1 0 JKAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CNc1ccccc1)Cc1ccccc1 ZINC000013588327 562977531 /nfs/dbraw/zinc/97/75/31/562977531.db2.gz FCHHEPKIESGJIH-SVBPBHIXSA-N 0 0 473.617 5.167 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2 ZINC000013588508 562977560 /nfs/dbraw/zinc/97/75/60/562977560.db2.gz VCYJYQQXTOICSB-UHFFFAOYSA-N 0 0 494.466 5.897 1 0 JKAFRN COc1ccc(-c2ccc(C(=O)CCCCCCC(=O)Nc3ccccc3N)cc2)cc1OC ZINC000013588615 562977669 /nfs/dbraw/zinc/97/76/69/562977669.db2.gz DEOIRAXHAMFKGQ-UHFFFAOYSA-N 0 0 460.574 6.115 1 0 JKAFRN CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000013589531 562978131 /nfs/dbraw/zinc/97/81/31/562978131.db2.gz WMDYJFHQZUSINS-UHFFFAOYSA-N 0 0 464.831 5.550 1 0 JKAFRN CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)c1 ZINC000013589532 562978134 /nfs/dbraw/zinc/97/81/34/562978134.db2.gz RTMLHKIXCXINOY-UHFFFAOYSA-N 0 0 459.424 5.510 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601025 562978290 /nfs/dbraw/zinc/97/82/90/562978290.db2.gz FJYMJRWWIFDOSN-SANMLTNESA-N 0 0 457.680 6.714 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601028 562978319 /nfs/dbraw/zinc/97/83/19/562978319.db2.gz FJYMJRWWIFDOSN-AREMUKBSSA-N 0 0 457.680 6.714 1 0 JKAFRN Cc1ccc(C(c2ccc(C)cc2)[S@@](=O)c2ncccc2C(=O)Nc2cccc3ncccc32)cc1 ZINC000013605271 562978655 /nfs/dbraw/zinc/97/86/55/562978655.db2.gz ZMCYVXJXFFRRIL-BHVANESWSA-N 0 0 491.616 6.396 1 0 JKAFRN O=C(Nc1cccc2ccccc21)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605233 562978682 /nfs/dbraw/zinc/97/86/82/562978682.db2.gz QILDGVWGFIPWQE-UMSFTDKQSA-N 0 0 462.574 6.384 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4c(F)cccc4F)cc3)c2cc1OC ZINC000013610133 562979216 /nfs/dbraw/zinc/97/92/16/562979216.db2.gz CYVPXDNOIYCAAV-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)c2cc1OC ZINC000013610137 562979219 /nfs/dbraw/zinc/97/92/19/562979219.db2.gz HJSPWWLBAHRSAY-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)c2cc1OC ZINC000013610130 562979262 /nfs/dbraw/zinc/97/92/62/562979262.db2.gz LBAQJHGPPPQHFJ-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(Cl)c3)c2cc1OC ZINC000013610166 562979316 /nfs/dbraw/zinc/97/93/16/562979316.db2.gz XPTCORXIXMSWEG-UHFFFAOYSA-N 0 0 485.874 6.620 1 0 JKAFRN c1ccc(-c2nnc3c4c(c(OCc5ncccc5OCC5CC5)nn23)C2CCC4CC2)cc1 ZINC000013610268 562979334 /nfs/dbraw/zinc/97/93/34/562979334.db2.gz SJAGJFDQMIAULO-UHFFFAOYSA-N 0 0 453.546 5.309 1 0 JKAFRN COc1ccc(CCNC(=O)c2ccc3c(c2)[C@](C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 ZINC000013611409 562979427 /nfs/dbraw/zinc/97/94/27/562979427.db2.gz LRYZMVUWQKWISQ-PMERELPUSA-N 0 0 470.613 5.509 1 0 JKAFRN CC(=O)N1c2ccc(NCc3ccc(C(C)(C)C)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611394 562979445 /nfs/dbraw/zinc/97/94/45/562979445.db2.gz XYOCGNMPEQKUES-WJOKGBTCSA-N 0 0 454.658 7.437 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cn1 ZINC000013611866 562979482 /nfs/dbraw/zinc/97/94/82/562979482.db2.gz IZZAUGOELHTXOR-UHFFFAOYSA-N 0 0 464.784 5.334 1 0 JKAFRN Cc1c(C(=O)NN2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611871 562979524 /nfs/dbraw/zinc/97/95/24/562979524.db2.gz SMEFNROEYLLVDY-UHFFFAOYSA-N 0 0 477.823 6.329 1 0 JKAFRN O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000013612704 562979554 /nfs/dbraw/zinc/97/95/54/562979554.db2.gz PLMVJLXENUIWLZ-UHFFFAOYSA-N 0 0 491.975 5.692 1 0 JKAFRN O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000013612698 562979578 /nfs/dbraw/zinc/97/95/78/562979578.db2.gz XIFZMBNDCRRWBC-UHFFFAOYSA-N 0 0 457.530 5.039 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)cn1)C2 ZINC000013612976 562979695 /nfs/dbraw/zinc/97/96/95/562979695.db2.gz IYZTVUCAOUBGHK-MUUNZHRXSA-N 0 0 458.521 5.030 1 0 JKAFRN CCc1[nH]c2cc(=O)ccc-2c(Oc2ccc(C=CC(=O)NC(C)C)cc2)c1-c1ccccc1 ZINC000013641229 562980086 /nfs/dbraw/zinc/98/00/86/562980086.db2.gz JOWURAUWDXAHSR-SFQUDFHCSA-N 0 0 452.554 6.500 1 0 JKAFRN COc1ccc([C@@H]2c3cc(OC)ccc3C(c3ccc(OCc4ccccc4)cc3)=C2Cl)cc1 ZINC000013649388 562980971 /nfs/dbraw/zinc/98/09/71/562980971.db2.gz PRQOOWRNVLQRHG-GDLZYMKVSA-N 0 0 468.980 7.427 1 0 JKAFRN COc1ccc([C@H]2c3cc(OC)ccc3C(c3ccc(OCc4ccccc4)cc3)=C2Cl)cc1 ZINC000013649386 562980973 /nfs/dbraw/zinc/98/09/73/562980973.db2.gz PRQOOWRNVLQRHG-LJAQVGFWSA-N 0 0 468.980 7.427 1 0 JKAFRN O=C(NCc1ccccc1)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCc1ccccc1 ZINC000013657559 562981988 /nfs/dbraw/zinc/98/19/88/562981988.db2.gz QGVBTPCLKFDYRN-UHFFFAOYSA-N 0 0 492.000 5.480 3 0 JKAFRN Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@]32CC(c3ccccc3)=NO2)s1 ZINC000013660478 562982111 /nfs/dbraw/zinc/98/21/11/562982111.db2.gz VDKWJIMGOZAZOL-HHHXNRCGSA-N 0 0 490.556 5.009 3 0 JKAFRN CC(C)CCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCC(C)C ZINC000013660849 562982167 /nfs/dbraw/zinc/98/21/67/562982167.db2.gz GFAAYWVYHVWZLU-UHFFFAOYSA-N 0 0 452.020 5.172 3 0 JKAFRN CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660532 562982179 /nfs/dbraw/zinc/98/21/79/562982179.db2.gz ZFHYPDNSKNVPNM-RUZDIDTESA-N 0 0 487.383 5.149 3 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661868 562982463 /nfs/dbraw/zinc/98/24/63/562982463.db2.gz ZWRXWRJMTZOPCG-DEDOGFMKSA-N 0 0 466.625 6.484 3 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661875 562982480 /nfs/dbraw/zinc/98/24/80/562982480.db2.gz MFBLBMJTQWVGJV-WDNDJHOTSA-N 0 0 465.593 6.477 3 0 JKAFRN COc1ccc(-c2c3ccccc3ccc2[C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013661928 562982487 /nfs/dbraw/zinc/98/24/87/562982487.db2.gz QZYZYZGGQGJXMN-MVXLQIMRSA-N 0 0 473.616 7.427 3 0 JKAFRN CC(=O)c1ccc(-c2cc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013662049 562982489 /nfs/dbraw/zinc/98/24/89/562982489.db2.gz DNDVOBNXWAHKHM-WFGXUNSGSA-N 0 0 453.557 6.607 3 0 JKAFRN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12 ZINC000013671971 562982629 /nfs/dbraw/zinc/98/26/29/562982629.db2.gz LVJCVDSXJBWGMI-UHFFFAOYSA-N 0 0 459.468 5.450 1 0 JKAFRN CCCC[C@]1(CC)CS(=O)(=O)c2ccc(Br)cc2[C@@H](c2cccc(OC)c2)[C@H]1O ZINC000013672969 562982751 /nfs/dbraw/zinc/98/27/51/562982751.db2.gz HAVLYCOBDKCESG-DNVJHFABSA-N 0 0 481.452 5.324 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3c(Cc4ccccc4)sc4ncnc(N)c43)cc2)c1 ZINC000013673664 562982911 /nfs/dbraw/zinc/98/29/11/562982911.db2.gz UKVIWMOPJDEZMM-UHFFFAOYSA-N 0 0 465.582 6.484 1 0 JKAFRN CC[C@]1(c2ccc(COc3ccccc3C(C)=O)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675345 562983100 /nfs/dbraw/zinc/98/31/00/562983100.db2.gz XBKNQCODYLEAAU-GDLZYMKVSA-N 0 0 451.522 6.140 1 0 JKAFRN CC[C@@]1(c2ccc(COc3ccccc3C(C)=O)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000013675343 562983101 /nfs/dbraw/zinc/98/31/01/562983101.db2.gz XBKNQCODYLEAAU-LJAQVGFWSA-N 0 0 451.522 6.140 1 0 JKAFRN O=C(CCCCCCCCCCCCCCCOc1cccc(O)c1)Nc1ccc(O)cc1 ZINC000013676028 562983256 /nfs/dbraw/zinc/98/32/56/562983256.db2.gz LBMZOGXFQCYTOA-UHFFFAOYSA-N 0 0 455.639 7.577 1 0 JKAFRN CCCCCCc1ccc(O)cc1OCCCCCCCCCCCCCCCC(=O)NC1CC1 ZINC000013676062 562983264 /nfs/dbraw/zinc/98/32/64/562983264.db2.gz RMFDZJAPAYUPPP-UHFFFAOYSA-N 0 0 487.769 8.634 1 0 JKAFRN CCCCCCc1ccc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)cc1O ZINC000013676040 562983266 /nfs/dbraw/zinc/98/32/66/562983266.db2.gz LNPOACXYFVTNSF-UHFFFAOYSA-N 0 0 469.666 7.749 1 0 JKAFRN CCCCCCc1ccc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)cc1O ZINC000013676044 562983276 /nfs/dbraw/zinc/98/32/76/562983276.db2.gz SKJDXFZFNKUHFV-UHFFFAOYSA-N 0 0 487.769 8.634 1 0 JKAFRN S=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676249 562983327 /nfs/dbraw/zinc/98/33/27/562983327.db2.gz JQWBRSQRBYVWFQ-UHFFFAOYSA-N 0 0 476.237 6.288 1 0 in-vivo JKAFRN O=C(NN1CCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2 ZINC000013676066 562983341 /nfs/dbraw/zinc/98/33/41/562983341.db2.gz KWQJLQKBGULBOI-UHFFFAOYSA-N 0 0 475.807 5.729 1 0 JKAFRN O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1c(Cl)cccc1-2 ZINC000013676077 562983343 /nfs/dbraw/zinc/98/33/43/562983343.db2.gz CNFNNKXYJJHGKA-UHFFFAOYSA-N 0 0 489.834 6.119 1 0 JKAFRN O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1c1ccccc1 ZINC000013676259 562983346 /nfs/dbraw/zinc/98/33/46/562983346.db2.gz ZNLUNHMGBUNPPT-UHFFFAOYSA-N 0 0 486.163 5.212 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccccc21 ZINC000013677371 562983629 /nfs/dbraw/zinc/98/36/29/562983629.db2.gz FWWZEVQZVDGPGJ-UHFFFAOYSA-N 0 0 456.417 5.479 1 0 JKAFRN COc1ccc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)c(OC)c1 ZINC000013677566 562983658 /nfs/dbraw/zinc/98/36/58/562983658.db2.gz KAXGKZPOWSRQIN-UHFFFAOYSA-N 0 0 451.375 5.285 1 0 JKAFRN O=C1[C@@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000013680172 562984091 /nfs/dbraw/zinc/98/40/91/562984091.db2.gz URVBWPFMFFHCMF-LJQANCHMSA-N 0 0 482.219 7.180 1 0 JKAFRN COc1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc(OC)c1OC ZINC000013681725 562984165 /nfs/dbraw/zinc/98/41/65/562984165.db2.gz ZOBBXRCMRKZKJW-UQOCNKKFSA-N 0 0 450.575 5.329 1 0 JKAFRN CC(C)[C@H](CO)N(Cc1cccc(F)c1)c1nc2c(ncn2C(C)C)c(Nc2cccc(Cl)c2)n1 ZINC000013682632 562984255 /nfs/dbraw/zinc/98/42/55/562984255.db2.gz NHIJFJUCOFHPIE-QFIPXVFZSA-N 0 0 497.018 5.967 3 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)C4CCCCC4)cc3)c2cc1OC ZINC000013684361 562984312 /nfs/dbraw/zinc/98/43/12/562984312.db2.gz UNMJHOVRTAPNDI-UHFFFAOYSA-N 0 0 465.575 5.438 1 0 JKAFRN Nc1nc(N)c(-c2ccc(NCc3cnc4ccccc4c3)cc2)c(COCc2ccccc2)n1 ZINC000013686032 562984377 /nfs/dbraw/zinc/98/43/77/562984377.db2.gz MGHLQXSUSIVMRA-UHFFFAOYSA-N 0 0 462.557 5.185 1 0 JKAFRN O=C([O-])[C@H]1CCC[N@H+](CCOC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013729417 562985121 /nfs/dbraw/zinc/98/51/21/562985121.db2.gz SGRJKZOPMZTOGS-HNNXBMFYSA-N 0 0 477.215 6.203 1 0 JKAFRN COC(=O)[C@H]1Cc2c(cccc2-c2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731604 562985252 /nfs/dbraw/zinc/98/52/52/562985252.db2.gz PPQXGGXAGYPULW-MUUNZHRXSA-N 0 0 461.561 5.612 1 0 JKAFRN CCCCc1nc2ccc(NC(=O)N(C)C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013732068 562985308 /nfs/dbraw/zinc/98/53/08/562985308.db2.gz BZCOMIFWYBGIRV-UHFFFAOYSA-N 0 0 494.603 5.368 1 0 JKAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(-c3ccccc3)c2)C1=O ZINC000013732909 562985582 /nfs/dbraw/zinc/98/55/82/562985582.db2.gz JMMHWFHIQXTVLS-MHZLTWQESA-N 0 0 460.537 5.315 1 0 JKAFRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1c2ccccc2COc2cc(Br)ccc21 ZINC000013735108 562985779 /nfs/dbraw/zinc/98/57/79/562985779.db2.gz QWTOEXSOIYJUNT-IBGZPJMESA-N 0 0 463.158 6.419 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2OCc2ccc(Br)cc21 ZINC000013735294 562985848 /nfs/dbraw/zinc/98/58/48/562985848.db2.gz AOBUQUZGNPFVLB-VWLOTQADSA-N 0 0 478.430 7.359 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(OCc3ccccc3)cc2)CCCC1 ZINC000013736822 562985909 /nfs/dbraw/zinc/98/59/09/562985909.db2.gz TWZGXCLQIYMEEK-UHFFFAOYSA-N 0 0 484.684 8.146 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000013737210 562986013 /nfs/dbraw/zinc/98/60/13/562986013.db2.gz HQQCOTMSQSYLFC-MHZLTWQESA-N 0 0 482.628 6.708 1 0 JKAFRN COC(=O)CCCCC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737148 562986032 /nfs/dbraw/zinc/98/60/32/562986032.db2.gz BMOFZBXWCQZKNU-XMMPIXPASA-N 0 0 481.637 5.646 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000013737196 562986047 /nfs/dbraw/zinc/98/60/47/562986047.db2.gz XDFCQOXZWOEOFF-LJAQVGFWSA-N 0 0 493.651 7.379 1 0 JKAFRN COc1ccc(C(=O)N[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C2CCCCC2)cc1 ZINC000013737242 562986097 /nfs/dbraw/zinc/98/60/97/562986097.db2.gz DXEICVTUHFUXAA-SANMLTNESA-N 0 0 479.665 6.442 1 0 JKAFRN Cc1cc(C)c2ncc(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(-c3ccccc3Cl)c2c1 ZINC000013737649 562986236 /nfs/dbraw/zinc/98/62/36/562986236.db2.gz LRZCGUKHIAQMQY-UHFFFAOYSA-N 0 0 486.059 9.063 1 0 JKAFRN O=C(c1ccc(Cl)nc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738248 562986535 /nfs/dbraw/zinc/98/65/35/562986535.db2.gz MSPLSAFMMGFKES-UHFFFAOYSA-N 0 0 450.369 5.620 1 0 JKAFRN Cc1cccc(NC(=O)N[C@@H]2C[C@H](c3ccccc3)c3ccccc3N(CC(=O)OC(C)(C)C)C2=O)c1 ZINC000013739673 562986551 /nfs/dbraw/zinc/98/65/51/562986551.db2.gz CLMCTKVZMVJCQP-JWQCQUIFSA-N 0 0 499.611 5.396 1 0 JKAFRN O=C1O[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740646 562986817 /nfs/dbraw/zinc/98/68/17/562986817.db2.gz JPUMLQVRNXWYSA-KRWDZBQOSA-N 0 0 456.342 5.296 1 0 JKAFRN C[C@]1(Cc2c[nH]c3ccccc23)OC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O ZINC000013740649 562986845 /nfs/dbraw/zinc/98/68/45/562986845.db2.gz JFBCXOANABQRMF-HXUWFJFHSA-N 0 0 470.369 5.686 1 0 JKAFRN 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CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756950 562988840 /nfs/dbraw/zinc/98/88/40/562988840.db2.gz JQNYODUTAJVBKZ-HSZRJFAPSA-N 0 0 474.645 5.433 1 0 JKAFRN OC1(c2cccc(COc3ccc4c(c3)cc(C3=NCCO3)cc4-c3ccoc3)c2)CCOCC1 ZINC000013759167 562989129 /nfs/dbraw/zinc/98/91/29/562989129.db2.gz VYBPFTSDMXTWTC-UHFFFAOYSA-N 0 0 469.537 5.454 1 0 JKAFRN C[C@H](O)c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759152 562989136 /nfs/dbraw/zinc/98/91/36/562989136.db2.gz KWPBNAJOXCLJDJ-NRFANRHFSA-N 0 0 454.566 6.137 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccsc1 ZINC000013759209 562989159 /nfs/dbraw/zinc/98/91/59/562989159.db2.gz YQDBEKVRNRJDHM-UHFFFAOYSA-N 0 0 472.562 5.816 1 0 JKAFRN OC1(c2cccc(COc3ccc4c(c3)cc(C3=NCCS3)cc4-c3ccoc3)c2)CCOCC1 ZINC000013759170 562989169 /nfs/dbraw/zinc/98/91/69/562989169.db2.gz AFWQLFMODNHFNK-UHFFFAOYSA-N 0 0 485.605 6.170 1 0 JKAFRN C[C@@H]1OC(=O)c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccccc3)c21 ZINC000013759145 562989180 /nfs/dbraw/zinc/98/91/80/562989180.db2.gz KKLLLNTVAVCEMS-FQEVSTJZSA-N 0 0 480.560 6.315 1 0 JKAFRN CO[C@@H](C)c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759156 562989183 /nfs/dbraw/zinc/98/91/83/562989183.db2.gz NMYQXWLLBGJJTL-QFIPXVFZSA-N 0 0 468.593 6.791 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1cccnc1 ZINC000013759202 562989184 /nfs/dbraw/zinc/98/91/84/562989184.db2.gz ZGAZRCIVDSNGIC-UHFFFAOYSA-N 0 0 467.521 5.149 1 0 JKAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013761451 562989860 /nfs/dbraw/zinc/98/98/60/562989860.db2.gz CPXPSOCKTSIDJD-RUZDIDTESA-N 0 0 485.319 5.129 1 0 JKAFRN O=C1O[C@](O)(c2ccc(OCc3ccccc3)cc2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 ZINC000013761464 562989879 /nfs/dbraw/zinc/98/98/79/562989879.db2.gz JPQNTLPMEWVANT-WJOKGBTCSA-N 0 0 492.527 5.393 1 0 JKAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](OC(=O)c1ccccc1)CC2 ZINC000013761346 562989905 /nfs/dbraw/zinc/98/99/05/562989905.db2.gz CWARTOYHSULRGH-NRFANRHFSA-N 0 0 478.566 5.306 1 0 JKAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 ZINC000013776636 562990942 /nfs/dbraw/zinc/99/09/42/562990942.db2.gz ZPJWZRIYMPCCME-UHFFFAOYSA-N 0 0 471.948 5.157 1 0 JKAFRN Cc1nc2ncccc2n1Cc1ccc(C(=O)c2cn(C(=O)N(C)C)c3cccc(Cl)c23)cc1 ZINC000013776699 562990965 /nfs/dbraw/zinc/99/09/65/562990965.db2.gz KZXPEYWFHZVBCJ-UHFFFAOYSA-N 0 0 471.948 5.157 1 0 JKAFRN COC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778275 562991133 /nfs/dbraw/zinc/99/11/33/562991133.db2.gz RWZMXIUZWZUZKA-UHFFFAOYSA-N 0 0 473.154 5.494 1 0 JKAFRN Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 ZINC000013780024 562991675 /nfs/dbraw/zinc/99/16/75/562991675.db2.gz XKQPFXGJKICVEM-UHFFFAOYSA-N 0 0 469.972 6.219 1 0 JKAFRN CSc1cc(C)nc(SC)c1NC(=O)N(Cc1cccc(-c2cc[nH]n2)c1)C1CCCCCC1 ZINC000013779995 562991684 /nfs/dbraw/zinc/99/16/84/562991684.db2.gz QXDOEXBOFWTADF-UHFFFAOYSA-N 0 0 495.718 6.981 1 0 JKAFRN CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1ccc(-c2cc[nH]n2)cc1 ZINC000013780004 562991757 /nfs/dbraw/zinc/99/17/57/562991757.db2.gz GSPCXZWDLHIDLV-UHFFFAOYSA-N 0 0 489.670 6.458 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@H](C)CC ZINC000013780879 562991983 /nfs/dbraw/zinc/99/19/83/562991983.db2.gz SCDPEFZDCHRATC-NFEIJPORSA-N 0 0 488.669 5.139 1 0 JKAFRN Cc1ccc(NC(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C2CCCCCC2)c(Cl)n1 ZINC000013781737 562992226 /nfs/dbraw/zinc/99/22/26/562992226.db2.gz KUENKURAYPKJPO-UHFFFAOYSA-N 0 0 481.999 7.732 1 0 JKAFRN COC(=O)CN1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1 ZINC000013781990 562992344 /nfs/dbraw/zinc/99/23/44/562992344.db2.gz XJAFKPQDGZWHCY-UHFFFAOYSA-N 0 0 489.456 5.448 1 0 JKAFRN CCCCCC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC ZINC000013782761 562992704 /nfs/dbraw/zinc/99/27/04/562992704.db2.gz KEVSTWADIXQVCS-VXKWHMMOSA-N 0 0 476.658 5.167 1 0 JKAFRN 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562993592 /nfs/dbraw/zinc/99/35/92/562993592.db2.gz GRIZMVXRRIYYLT-XMMPIXPASA-N 0 0 486.572 5.313 1 0 JKAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](OC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798757 562993598 /nfs/dbraw/zinc/99/35/98/562993598.db2.gz AYSJIAXODNEOQL-VWLOTQADSA-N 0 0 486.572 5.313 1 0 JKAFRN CC(C)OC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798688 562993600 /nfs/dbraw/zinc/99/36/00/562993600.db2.gz GRIZMVXRRIYYLT-DEOSSOPVSA-N 0 0 486.572 5.313 1 0 JKAFRN CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC[C@@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798969 562993644 /nfs/dbraw/zinc/99/36/44/562993644.db2.gz LTXXUPQYHDNCDW-RUZDIDTESA-N 0 0 499.615 5.276 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000013801073 562994029 /nfs/dbraw/zinc/99/40/29/562994029.db2.gz FXIHCHYYMBSSAP-UHFFFAOYSA-N 0 0 454.058 7.186 1 0 JKAFRN O=C(N1CCCc2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803088 562994621 /nfs/dbraw/zinc/99/46/21/562994621.db2.gz 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CCN(CC)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)cc1 ZINC000013812747 562995777 /nfs/dbraw/zinc/99/57/77/562995777.db2.gz XQYMFZQDLBHUEP-UHFFFAOYSA-N 0 0 495.410 6.133 1 0 JKAFRN OC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000013813055 562995827 /nfs/dbraw/zinc/99/58/27/562995827.db2.gz XMEDFQZAUOOWAJ-UHFFFAOYSA-N 0 0 498.582 7.023 1 0 JKAFRN CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1ccc2ccccc2c1 ZINC000013813409 562995953 /nfs/dbraw/zinc/99/59/53/562995953.db2.gz LAYFGONHHCIWDG-VWLOTQADSA-N 0 0 489.417 5.305 1 0 JKAFRN O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCn1ccnc1 ZINC000013814804 562996226 /nfs/dbraw/zinc/99/62/26/562996226.db2.gz UALAAHUIAHKLHD-XVNBXDOJSA-N 0 0 466.821 6.214 1 0 JKAFRN COc1cc2oc(=O)cc(-c3cccc(-c4ccc(C(F)(F)F)cc4)c3)c2c(OC)c1OC ZINC000013814742 562996240 /nfs/dbraw/zinc/99/62/40/562996240.db2.gz HVRQZGIWBITBEO-UHFFFAOYSA-N 0 0 456.416 6.172 3 0 JKAFRN O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCN1CCCC1=O ZINC000013814892 562996295 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499.022 5.782 1 0 JKAFRN CCCCCNC(=O)N(C)c1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827547 562998618 /nfs/dbraw/zinc/99/86/18/562998618.db2.gz QGDAAIPGJQYTCF-UHFFFAOYSA-N 0 0 463.626 5.421 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccc(OC)cc3)c2)cccc1N(C)C ZINC000013827595 562998714 /nfs/dbraw/zinc/99/87/14/562998714.db2.gz FETJCLFYGUTKOI-UHFFFAOYSA-N 0 0 479.625 5.406 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CO ZINC000013827785 562998782 /nfs/dbraw/zinc/99/87/82/562998782.db2.gz SIUURKKUHJCVTM-UHFFFAOYSA-N 0 0 450.583 5.132 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(Cl)cc2)c1 ZINC000013827766 562998849 /nfs/dbraw/zinc/99/88/49/562998849.db2.gz LPAXFGMZPKBLRP-UHFFFAOYSA-N 0 0 455.002 6.293 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1COC ZINC000013827791 562998853 /nfs/dbraw/zinc/99/88/53/562998853.db2.gz JEPKUBIUGBOGBK-UHFFFAOYSA-N 0 0 464.610 5.786 1 0 JKAFRN COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccco2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013828621 562999037 /nfs/dbraw/zinc/99/90/37/562999037.db2.gz YGBBRCWORXYFJA-UHFFFAOYSA-N 0 0 495.535 5.251 1 0 JKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013829582 562999094 /nfs/dbraw/zinc/99/90/94/562999094.db2.gz PXUPRRXRZNUAGP-MUUNZHRXSA-N 0 0 485.584 5.742 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830403 562999166 /nfs/dbraw/zinc/99/91/66/562999166.db2.gz GDCXIJQNNPOANR-UFOWSGCLSA-N 0 0 471.572 6.566 1 0 JKAFRN COc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013829924 562999184 /nfs/dbraw/zinc/99/91/84/562999184.db2.gz QZYZYZGGQGJXMN-WJARZFPLSA-N 0 0 473.616 7.427 1 0 JKAFRN CN(C)c1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830683 562999235 /nfs/dbraw/zinc/99/92/35/562999235.db2.gz BRJJFXGRPIFTKK-CVXIRMMQSA-N 0 0 454.589 6.615 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830500 562999246 /nfs/dbraw/zinc/99/92/46/562999246.db2.gz FYWMIHJCACAINX-FPHQXIGGSA-N 0 0 483.608 6.435 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013830454 562999263 /nfs/dbraw/zinc/99/92/63/562999263.db2.gz ATOQMFFMCNHTCK-GVWJKJGUSA-N 0 0 455.573 6.722 1 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F ZINC000013830611 562999274 /nfs/dbraw/zinc/99/92/74/562999274.db2.gz OGOYFYBJGOZDCJ-CZECKZAGSA-N 0 0 454.589 6.471 1 0 JKAFRN CC(=O)c1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1 ZINC000013830775 562999358 /nfs/dbraw/zinc/99/93/58/562999358.db2.gz DNDVOBNXWAHKHM-PXWFWOTJSA-N 0 0 453.557 6.607 1 0 JKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccc(C(N)=O)cc1 ZINC000013831420 562999389 /nfs/dbraw/zinc/99/93/89/562999389.db2.gz WJJIXDMAFJSEBO-GDLZYMKVSA-N 0 0 493.563 5.140 1 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccc(C(N)=O)cc1 ZINC000013831421 562999433 /nfs/dbraw/zinc/99/94/33/562999433.db2.gz WJJIXDMAFJSEBO-LJAQVGFWSA-N 0 0 493.563 5.140 1 0 JKAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCc1ccccc1 ZINC000013833054 563000080 /nfs/dbraw/zinc/00/00/80/563000080.db2.gz SKGADOFSECCZFC-USOSRFFLSA-N 0 0 485.628 5.336 1 0 JKAFRN COc1cc(CCc2ccc(C3=Cc4ccccc4C4=N[C@@H](C)CN43)cc2)cc(OC)c1OC ZINC000013833375 563000451 /nfs/dbraw/zinc/00/04/51/563000451.db2.gz YTOKKSFEEDUKNC-IBGZPJMESA-N 0 0 454.570 5.460 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2ccc(F)cc2)c1-c1cccc(Cl)c1 ZINC000013833977 563000706 /nfs/dbraw/zinc/00/07/06/563000706.db2.gz RLGRHOYDEKEIMU-IJIRNXSHSA-N 0 0 485.983 5.884 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)CCn1c(C(C)C)cc(-c2ccc(F)cc2)c1-c1ccc(F)cc1 ZINC000013833978 563000728 /nfs/dbraw/zinc/00/07/28/563000728.db2.gz IKPHYCNGCCFKRG-DHIUTWEWSA-N 0 0 471.544 5.289 1 0 JKAFRN CCOC(=O)/C(=C\c1cccc(OCC(=O)OC)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000013834131 563000786 /nfs/dbraw/zinc/00/07/86/563000786.db2.gz URSXUVSQVNESIX-MOHJPFBDSA-N 0 0 483.520 5.664 1 0 JKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCn1ccnc1 ZINC000013863468 563003462 /nfs/dbraw/zinc/00/34/62/563003462.db2.gz QSFOYCZPHALXMC-LOSJGSFVSA-N 0 0 490.648 5.602 1 0 JKAFRN COc1cccc2c1-c1ccc3c(c1[C@H](c1cc(C)cc(Br)c1)O2)C(C)=CC(C)(C)N3 ZINC000013863761 563003538 /nfs/dbraw/zinc/00/35/38/563003538.db2.gz JLRMPPDXUOKHKL-SANMLTNESA-N 0 0 476.414 7.522 1 0 JKAFRN Cc1ccc(CC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)c2ccccc2)cc1 ZINC000013864041 563003809 /nfs/dbraw/zinc/00/38/09/563003809.db2.gz MLUQVGUUFSIWRV-UHFFFAOYSA-N 0 0 462.549 5.588 1 0 JKAFRN CCOP(=O)(OCC)C(C[C@@H]1CCC[C@@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896627 563004414 /nfs/dbraw/zinc/00/44/14/563004414.db2.gz BCDMRAKUMQFMLZ-PMACEKPBSA-N 0 0 474.471 6.388 1 0 JKAFRN CO[C@H]1O[C@H](OC)c2c1cc(O)c1c2O[C@@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]2C1 ZINC000013912391 563004552 /nfs/dbraw/zinc/00/45/52/563004552.db2.gz QWMFMXXBQRMPTO-QTFIWPTFSA-N 0 0 474.594 5.190 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6c(cccc6C)[nH]5)cc4)cc3)nc21 ZINC000013982107 563005268 /nfs/dbraw/zinc/00/52/68/563005268.db2.gz GUPAKGIXYBVRRX-UHFFFAOYSA-N 0 0 472.552 7.034 1 0 JKAFRN C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCCC1 ZINC000013982256 563005286 /nfs/dbraw/zinc/00/52/86/563005286.db2.gz PWHMHYABVVSVNQ-CPJSRVTESA-N 0 0 487.660 5.390 1 0 JKAFRN CCOc1ccc(N(C(=O)NCc2ccccc2Cl)c2ccnc(N[C@@H](C)COC)n2)cc1 ZINC000013986010 563005414 /nfs/dbraw/zinc/00/54/14/563005414.db2.gz RAHFUNXYZWKTJF-KRWDZBQOSA-N 0 0 469.973 5.023 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3cccc(OC)c3C2)c(C)c1 ZINC000014022270 563005435 /nfs/dbraw/zinc/00/54/35/563005435.db2.gz YJALVPBIFAFPJV-MUUNZHRXSA-N 0 0 481.637 5.098 1 0 JKAFRN CC(C)=CCc1c(OC(C)=O)c(C(=O)CC(C)C)c(OC(C)=O)c2c(-c3ccccc3)cc(=O)oc12 ZINC000014586149 563005945 /nfs/dbraw/zinc/00/59/45/563005945.db2.gz 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FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3ccc4ccccc4n3)o2)c1 ZINC000014946579 563006767 /nfs/dbraw/zinc/00/67/67/563006767.db2.gz BMOJWUUEVJDMPI-UHFFFAOYSA-N 0 0 461.447 6.227 1 0 JKAFRN Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)c21 ZINC000014957324 563007945 /nfs/dbraw/zinc/00/79/45/563007945.db2.gz VLTNUYNTYZRWQD-UHFFFAOYSA-N 0 0 481.356 6.154 1 0 JKAFRN Cc1c2ccccc2sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000014963617 563008668 /nfs/dbraw/zinc/00/86/68/563008668.db2.gz PMROMFBTYNBPHW-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN CC[NH+](CC)CCC/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964923 563008957 /nfs/dbraw/zinc/00/89/57/563008957.db2.gz NMAZHERCXXOERD-AWNIVKPZSA-N 0 0 470.635 5.200 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)ccc2[nH]1 ZINC000014965496 563009040 /nfs/dbraw/zinc/00/90/40/563009040.db2.gz KRAIQVKNMMQTGK-UHFFFAOYSA-N 0 0 453.405 5.456 1 0 JKAFRN CC[NH+](CC)CCCCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)[O-])CCCC2 ZINC000014964938 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CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000028823182 563081541 /nfs/dbraw/zinc/08/15/41/563081541.db2.gz ZQYXEYYRAMWFDB-NSHDSACASA-N 0 0 471.233 6.176 1 0 JKAFRN Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccc(F)cc3)o2)c2cccc(Cl)c2C)cc1 ZINC000028823355 563081639 /nfs/dbraw/zinc/08/16/39/563081639.db2.gz CZRUCLBKCMZZFG-UHFFFAOYSA-N 0 0 485.968 5.465 1 0 JKAFRN CCn1c(-c2ccc([S@](C)=O)cc2)nc(-c2ccncc2)c1-c1ccc2cc(OC)ccc2c1 ZINC000028823978 563081688 /nfs/dbraw/zinc/08/16/88/563081688.db2.gz SPHQNDQLTJVIJA-UUWRZZSWSA-N 0 0 467.594 6.198 1 0 JKAFRN COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc(S(C)(=O)=O)cc4C)n3C)ccc2c1 ZINC000028823774 563081692 /nfs/dbraw/zinc/08/16/92/563081692.db2.gz ZDSNJSQTPLXCSG-UHFFFAOYSA-N 0 0 483.593 5.690 1 0 in-vitro JKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 ZINC000028824043 563081777 /nfs/dbraw/zinc/08/17/77/563081777.db2.gz HAZIGHWLODGDFY-UHFFFAOYSA-N 0 0 489.934 5.664 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc([S@](C)=O)cc4Cl)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824353 563081907 /nfs/dbraw/zinc/08/19/07/563081907.db2.gz WTIQLLRDBWUMJC-MGBGTMOVSA-N 0 0 473.985 6.358 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc(SC)cc4Cl)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824351 563081911 /nfs/dbraw/zinc/08/19/11/563081911.db2.gz RJZJUZDAOMAKRW-UHFFFAOYSA-N 0 0 457.986 7.343 1 0 JKAFRN Cc1ccc(/C=C/C(=O)N2CCC([C@H](C(=O)[O-])[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000028824813 563082004 /nfs/dbraw/zinc/08/20/04/563082004.db2.gz AQZBOLMPADGBBR-WBKPCLEFSA-N 0 0 485.628 5.061 1 0 JKAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C ZINC000028825232 563082149 /nfs/dbraw/zinc/08/21/49/563082149.db2.gz BDSXTADBGLBHIZ-KBIYVQMNSA-N 0 0 480.557 5.115 1 0 JKAFRN COc1ccc(CCCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028862841 563083313 /nfs/dbraw/zinc/08/33/13/563083313.db2.gz BVOQLCJSRMHJQY-CQSZACIVSA-N 0 0 463.430 6.270 1 0 JKAFRN COc1ccc(COCCSc2nc([C@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863014 563083406 /nfs/dbraw/zinc/08/34/06/563083406.db2.gz ONQQMDSUBPFLNP-CQSZACIVSA-N 0 0 479.429 5.854 1 0 JKAFRN C[C@]12CC3CC(NC(=O)c4cn(Cc5ccc(Cl)cc5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000028864367 563083501 /nfs/dbraw/zinc/08/35/01/563083501.db2.gz AZHDEXBXSFXXFL-ZOLHVZMQSA-N 0 0 475.032 6.182 1 0 JKAFRN C[C@]12CC3CC(NC(=O)c4cn(Cc5ccc(F)cc5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000028864361 563083537 /nfs/dbraw/zinc/08/35/37/563083537.db2.gz VNVBKFYNXNMSCQ-ZOLHVZMQSA-N 0 0 458.577 5.668 1 0 JKAFRN CCCCCn1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cl)ccc21 ZINC000028864578 563083596 /nfs/dbraw/zinc/08/35/96/563083596.db2.gz OIYKUSFYZSKAJZ-AWYKWWOESA-N 0 0 455.042 6.180 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028866822 563083797 /nfs/dbraw/zinc/08/37/97/563083797.db2.gz JXTKRIQBAVYEIO-ZMPRRUGASA-N 0 0 477.823 5.717 1 0 JKAFRN O=C(Nc1cc2nc(-c3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cn1)c1ccccn1 ZINC000028866722 563083804 /nfs/dbraw/zinc/08/38/04/563083804.db2.gz PNRZMYKMXLVYRU-UHFFFAOYSA-N 0 0 492.583 5.427 1 0 JKAFRN CC(C)c1ccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)cnc3c(F)c(F)c(F)cc32)cc1 ZINC000028876028 563084439 /nfs/dbraw/zinc/08/44/39/563084439.db2.gz YXJISEPFIFCBNN-CTJKTKJGSA-N 0 0 473.516 6.006 1 0 JKAFRN NC(=O)Cc1cn(Cc2ccccc2)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12 ZINC000028888385 563085098 /nfs/dbraw/zinc/08/50/98/563085098.db2.gz NAPDYQKBCFVQDS-UHFFFAOYSA-N 0 0 476.420 6.422 1 0 JKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccc(NC3CCCC3)nc2)cc1 ZINC000028890356 563085118 /nfs/dbraw/zinc/08/51/18/563085118.db2.gz BFCKAWHWIMGNST-UHFFFAOYSA-N 0 0 455.581 6.911 1 0 JKAFRN CCOc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2cccc(C(F)(F)F)c2)c1 ZINC000028888265 563085121 /nfs/dbraw/zinc/08/51/21/563085121.db2.gz VRJJILHMJDYDBY-UHFFFAOYSA-N 0 0 452.476 5.802 1 0 JKAFRN CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)n1 ZINC000028896913 563085697 /nfs/dbraw/zinc/08/56/97/563085697.db2.gz KPFSWQACGQGZBB-UHFFFAOYSA-N 0 0 480.450 5.347 1 0 JKAFRN Cc1ccc(-c2ncc(C(=O)NCCCN(C)c3ccccc3)nc2-c2ccc(C)cc2)cc1 ZINC000028900255 563085911 /nfs/dbraw/zinc/08/59/11/563085911.db2.gz GSQPIDJUEWDSGT-UHFFFAOYSA-N 0 0 450.586 5.684 1 0 JKAFRN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000028899396 563085970 /nfs/dbraw/zinc/08/59/70/563085970.db2.gz AZHDXSNCYLUOST-UHFFFAOYSA-N 0 0 476.421 5.367 1 0 JKAFRN CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CCCCC(=O)NCCc2ccc(O)cc2)cc1 ZINC000028900496 563086002 /nfs/dbraw/zinc/08/60/02/563086002.db2.gz FBHMIJXMQILCLS-UHFFFAOYSA-N 0 0 496.655 6.009 1 0 JKAFRN COc1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(OC)c(OC)c3)c2)cc1OC ZINC000028949044 563086756 /nfs/dbraw/zinc/08/67/56/563086756.db2.gz VLYXEADJQADYCF-KQQUZDAGSA-N 0 0 481.386 6.824 1 0 JKAFRN COc1cc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N)c(OC)c3)n2)ccc1N ZINC000028948998 563086757 /nfs/dbraw/zinc/08/67/57/563086757.db2.gz UAVVCKFNVBLJOK-FCXRPNKRSA-N 0 0 452.352 5.367 1 0 JKAFRN O=C(C1CCCC1)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949513 563086794 /nfs/dbraw/zinc/08/67/94/563086794.db2.gz GOFKZQPHWQEKAE-RUZDIDTESA-N 0 0 484.621 5.584 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2cccs2)C3)cc2ccccc21 ZINC000028949633 563086814 /nfs/dbraw/zinc/08/68/14/563086814.db2.gz AGKUZMNQBHXLGU-NRFANRHFSA-N 0 0 494.638 5.599 1 0 JKAFRN CC(C)(C)CC(=O)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949524 563086837 /nfs/dbraw/zinc/08/68/37/563086837.db2.gz HMFYVUXCNMFRMS-DEOSSOPVSA-N 0 0 486.637 5.830 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NC(=O)c2ccccc2O)C3)cc2ccccc21 ZINC000028949672 563086844 /nfs/dbraw/zinc/08/68/44/563086844.db2.gz RMDWQZDXZBKQAU-JOCHJYFZSA-N 0 0 468.553 5.694 1 0 JKAFRN CC[C@@H](C)N(C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1)[C@@H](C)CC ZINC000028950196 563086908 /nfs/dbraw/zinc/08/69/08/563086908.db2.gz QEPBKJXHUSLAOB-SZPZYZBQSA-N 0 0 466.666 7.173 1 0 JKAFRN CCN(CC)C(=O)c1cccc2nc(-c3[nH]nc4ncc(-c5cncc6ccccc65)cc43)[nH]c21 ZINC000028950083 563086933 /nfs/dbraw/zinc/08/69/33/563086933.db2.gz WALDVLHIHTVOPR-UHFFFAOYSA-N 0 0 461.529 5.198 1 0 JKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(P(C)(C)=O)cc3)C[C@@]21C ZINC000028950467 563087000 /nfs/dbraw/zinc/08/70/00/563087000.db2.gz YSJVBSSZEGNKMZ-GCNJZUOMSA-N 0 0 462.570 5.589 1 0 JKAFRN CC(C(=O)Nc1ccccc1)(C(=O)Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1 ZINC000028951663 563087287 /nfs/dbraw/zinc/08/72/87/563087287.db2.gz ORBROSOKRMTEGI-UHFFFAOYSA-N 0 0 478.552 5.056 1 0 JKAFRN O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952617 563087535 /nfs/dbraw/zinc/08/75/35/563087535.db2.gz ZPEIKPVRDQFBAF-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(Br)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952561 563087550 /nfs/dbraw/zinc/08/75/50/563087550.db2.gz NGWDKCBJORGYNH-UHFFFAOYSA-N 0 0 470.327 5.498 1 0 JKAFRN O=C(Nc1nc(-c2ccc(OC(F)(F)F)cc2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952552 563087557 /nfs/dbraw/zinc/08/75/57/563087557.db2.gz JJOCOXBSLIWSNT-UHFFFAOYSA-N 0 0 457.437 5.495 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccnnc2)cc1 ZINC000028952807 563087740 /nfs/dbraw/zinc/08/77/40/563087740.db2.gz YBLKEDTWJRWFQW-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN CN(C(=O)c1ccc(Nc2ccncn2)cc1)c1nc(-c2cccc(C(F)(F)F)c2F)cs1 ZINC000028952826 563087832 /nfs/dbraw/zinc/08/78/32/563087832.db2.gz OCXXNJBGCUCHQO-UHFFFAOYSA-N 0 0 473.455 5.778 1 0 JKAFRN O=C(Nc1nsc(-c2cccc(C(F)(F)F)c2F)n1)c1ccc(Nc2ccncn2)cc1 ZINC000028953171 563087855 /nfs/dbraw/zinc/08/78/55/563087855.db2.gz DUDLWHFRPIOEFF-UHFFFAOYSA-N 0 0 460.416 5.149 1 0 JKAFRN Cc1nccc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)n1 ZINC000028952828 563087861 /nfs/dbraw/zinc/08/78/61/563087861.db2.gz NAYIJRRBEWATFX-UHFFFAOYSA-N 0 0 473.455 6.062 1 0 JKAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cc(C(=O)NCc2ccco2)ccn1 ZINC000028954703 563088198 /nfs/dbraw/zinc/08/81/98/563088198.db2.gz FJOKEPFTMZTYDS-UHFFFAOYSA-N 0 0 485.584 5.090 1 0 JKAFRN CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccccc3)CN(C3CCCC3)C2)CC1 ZINC000028955179 563088216 /nfs/dbraw/zinc/08/82/16/563088216.db2.gz HIJUGYAVUFBZEW-UHFFFAOYSA-N 0 0 491.657 5.009 1 0 JKAFRN CC(=O)Nc1cc(NC(C)=O)c(OC(C)=O)c2nc(/C=C/c3ccccc3Br)ccc12 ZINC000028957939 563088561 /nfs/dbraw/zinc/08/85/61/563088561.db2.gz FSTHXFFRPKTFBB-CMDGGOBGSA-N 0 0 482.334 5.010 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(F)ccc2[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000028959448 563088732 /nfs/dbraw/zinc/08/87/32/563088732.db2.gz QZVYUUWIXJXMEH-AOYPEHQESA-N 0 0 493.504 6.856 1 0 JKAFRN COc1ccc(C[C@H]2c3ccc(OC)cc3CC[C@@H]2NC(=O)Nc2cccc3cnccc32)cc1 ZINC000028959386 563088751 /nfs/dbraw/zinc/08/87/51/563088751.db2.gz FFNSSAROKQYYJN-XCZPVHLTSA-N 0 0 467.569 5.715 1 0 JKAFRN COc1ccc(C[C@H]2c3ccc(OC)cc3CC[C@H]2NC(=O)Nc2cccc3cnccc32)cc1 ZINC000028959393 563088752 /nfs/dbraw/zinc/08/87/52/563088752.db2.gz FFNSSAROKQYYJN-XTEPFMGCSA-N 0 0 467.569 5.715 1 0 JKAFRN COc1ccc(C[C@@H]2c3ccc(OC)cc3CC[C@@H]2NC(=O)Nc2cccc3cnccc32)cc1 ZINC000028959390 563088758 /nfs/dbraw/zinc/08/87/58/563088758.db2.gz FFNSSAROKQYYJN-IAPPQJPRSA-N 0 0 467.569 5.715 1 0 JKAFRN CC/C(Br)=C/C=C\C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 ZINC000028971890 563089697 /nfs/dbraw/zinc/08/96/97/563089697.db2.gz XESWLEVPFYXKLI-UIRRHHTJSA-N 0 0 466.995 5.458 1 0 JKAFRN CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc21 ZINC000029037810 563090574 /nfs/dbraw/zinc/09/05/74/563090574.db2.gz DJMFVVAZSMMHDE-UHFFFAOYSA-N 0 0 476.558 7.460 1 0 JKAFRN CCC(CC)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(OC(CC)CC)c1O ZINC000029039174 563091062 /nfs/dbraw/zinc/09/10/62/563091062.db2.gz DSKHUOXELOXDOV-FOCLMDBBSA-N 0 0 481.677 6.906 1 0 JKAFRN Fc1ccc(-c2nn3c(cc(NC4CCCC4)cc3Cl)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029040069 563091273 /nfs/dbraw/zinc/09/12/73/563091273.db2.gz RWOYMYIYXMICCH-UHFFFAOYSA-N 0 0 491.014 6.960 1 0 JKAFRN c1ccc(C2(c3cc(OCc4ccc5ccccc5n4)ccc3OCC3=CNCC=C3)CCCC2)cc1 ZINC000029040879 563091507 /nfs/dbraw/zinc/09/15/07/563091507.db2.gz CDYBFEFHJFDEGA-UHFFFAOYSA-N 0 0 488.631 7.096 1 0 JKAFRN C[C@@H](OC(=O)NCc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c5ccccc5[nH]c4c21)CNC3=O ZINC000029043186 563091899 /nfs/dbraw/zinc/09/18/99/563091899.db2.gz PFEHGXFVDGRZKZ-OSPHWJPCSA-N 0 0 487.559 5.992 1 0 JKAFRN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccnc(Nc4ccc5ncsc5c4)n3)cc2)cc1 ZINC000029042843 563091949 /nfs/dbraw/zinc/09/19/49/563091949.db2.gz BZVJMVFLTIUWES-UHFFFAOYSA-N 0 0 489.582 5.306 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(-c3cnco3)cc2)n(-c2ccccc2Cl)n1 ZINC000029044464 563092176 /nfs/dbraw/zinc/09/21/76/563092176.db2.gz DFPLZPJNNCQUGS-UHFFFAOYSA-N 0 0 485.931 6.925 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000029045255 563092271 /nfs/dbraw/zinc/09/22/71/563092271.db2.gz APZHFXWYNFBGLT-UHFFFAOYSA-N 0 0 480.490 7.198 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CC3)cc2)n(-c2ccccc2Cl)n1 ZINC000029045101 563092278 /nfs/dbraw/zinc/09/22/78/563092278.db2.gz JFVZIEPQNSYJEA-UHFFFAOYSA-N 0 0 458.949 7.148 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C(C)(C)C)cc2)n(-c2ccccc2Cl)n1 ZINC000029045261 563092339 /nfs/dbraw/zinc/09/23/39/563092339.db2.gz XECZZBQRPZIWIM-UHFFFAOYSA-N 0 0 474.992 7.568 1 0 JKAFRN CN(CCOc1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)c1ccccn1 ZINC000029046103 563092441 /nfs/dbraw/zinc/09/24/41/563092441.db2.gz SEQGGXDOVOICFS-UHFFFAOYSA-N 0 0 454.559 5.407 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1ccc2ccccc2c1 ZINC000029053166 563093147 /nfs/dbraw/zinc/09/31/47/563093147.db2.gz GFMFLTMFBXRFAL-NDEPHWFRSA-N 0 0 450.626 7.549 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1c(C)ccc2ccccc21 ZINC000029053180 563093169 /nfs/dbraw/zinc/09/31/69/563093169.db2.gz CTFCGPRALFQSJL-MUUNZHRXSA-N 0 0 464.653 7.857 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cccc2c(OC)cccc21 ZINC000029052945 563093215 /nfs/dbraw/zinc/09/32/15/563093215.db2.gz NACXQSITAPZCKT-MUUNZHRXSA-N 0 0 480.652 7.558 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3ccccc3-c3ccccc3)cc(OC)c21 ZINC000029053599 563093256 /nfs/dbraw/zinc/09/32/56/563093256.db2.gz NEAGSUMDXYRQCY-JGCGQSQUSA-N 0 0 484.643 8.481 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3c(Cl)cccc3OC)cc(OC)c21 ZINC000029054007 563093323 /nfs/dbraw/zinc/09/33/23/563093323.db2.gz YHJWLTLIFNXJBY-VWLOTQADSA-N 0 0 473.016 7.476 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3c(C)cc(OC)cc3C)cc(OC)c21 ZINC000029054017 563093346 /nfs/dbraw/zinc/09/33/46/563093346.db2.gz WEOGYMUCKHNUPQ-MUUNZHRXSA-N 0 0 466.625 7.440 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccc(OC)cc2C1 ZINC000029054197 563093409 /nfs/dbraw/zinc/09/34/09/563093409.db2.gz MPHSUWZCRDKHFZ-MHZLTWQESA-N 0 0 456.630 6.326 1 0 JKAFRN O=C(c1cc2c(cc1F)O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCCCC1 ZINC000029054440 563093415 /nfs/dbraw/zinc/09/34/15/563093415.db2.gz ZYJFHTSOOUFNFJ-RUZDIDTESA-N 0 0 490.333 6.570 1 0 JKAFRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4Br)c3)c2C1 ZINC000029055107 563093454 /nfs/dbraw/zinc/09/34/54/563093454.db2.gz YUKFFCYLIWEUEE-HNNXBMFYSA-N 0 0 457.372 5.085 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(CC)c1cccc2c1CCCC2 ZINC000029054532 563093511 /nfs/dbraw/zinc/09/35/11/563093511.db2.gz MYJZNRQXRONPBE-GDLZYMKVSA-N 0 0 468.685 7.665 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnn4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029060136 563093829 /nfs/dbraw/zinc/09/38/29/563093829.db2.gz XDSPPNWLPPVJLF-KXLBVQLFSA-N 0 0 492.663 6.884 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cnccn4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029059829 563093842 /nfs/dbraw/zinc/09/38/42/563093842.db2.gz MVWOELCOEGHLLO-KXLBVQLFSA-N 0 0 492.663 6.884 1 0 JKAFRN C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1 ZINC000029060742 563093882 /nfs/dbraw/zinc/09/38/82/563093882.db2.gz TTWYHVRPZQCFJZ-MOFFPKIDSA-N 0 0 491.675 7.489 1 0 JKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCc1ccccc1 ZINC000029063023 563094062 /nfs/dbraw/zinc/09/40/62/563094062.db2.gz ZENAMHIXXPKHSQ-UHFFFAOYSA-N 0 0 462.343 5.460 1 0 JKAFRN CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000029063073 563094089 /nfs/dbraw/zinc/09/40/89/563094089.db2.gz NOLFLBFMEJTECS-UHFFFAOYSA-N 0 0 479.985 5.366 1 0 JKAFRN COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1OC)CCc1ccc-2c(OC)c1 ZINC000029124357 563094428 /nfs/dbraw/zinc/09/44/28/563094428.db2.gz CDFKRQXFXHECQG-UHFFFAOYSA-N 0 0 466.577 7.056 1 0 JKAFRN CCCCCn1nnnc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000029124847 563094507 /nfs/dbraw/zinc/09/45/07/563094507.db2.gz BDSMXKZHSJSCMW-UHFFFAOYSA-N 0 0 475.811 6.652 1 0 JKAFRN Cc1c(-c2nnn(C3CCCC3)n2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029125260 563094614 /nfs/dbraw/zinc/09/46/14/563094614.db2.gz ZIZNSQZNQXDTMM-UHFFFAOYSA-N 0 0 473.795 6.577 1 0 JKAFRN Cn1c(-c2ccccc2C(F)(F)F)cnc1C12CCC(c3nc(-c4ccc(F)cc4)n[nH]3)(CC1)CC2 ZINC000029126466 563095173 /nfs/dbraw/zinc/09/51/73/563095173.db2.gz UAXCWJFNZPJHSI-UHFFFAOYSA-N 0 0 495.524 6.574 1 0 JKAFRN O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1 ZINC000029127651 563095870 /nfs/dbraw/zinc/09/58/70/563095870.db2.gz VVHIEIHZUOYBAF-QFIPXVFZSA-N 0 0 472.570 5.077 1 0 JKAFRN C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000029128216 563096132 /nfs/dbraw/zinc/09/61/32/563096132.db2.gz XOLXAYPVGNVIAI-HSZRJFAPSA-N 0 0 491.510 5.071 1 0 JKAFRN CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4ccc(Cl)cc4)nc3-c3ccccc3)cc21 ZINC000029130663 563097015 /nfs/dbraw/zinc/09/70/15/563097015.db2.gz MRTDMTBQTBCJDJ-UHFFFAOYSA-N 0 0 492.004 5.582 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 ZINC000029131847 563097235 /nfs/dbraw/zinc/09/72/35/563097235.db2.gz RWAABJPWMZNDQM-MHZLTWQESA-N 0 0 494.031 6.282 1 0 JKAFRN Clc1ccc(CN2CCN(Cc3ccc(Cl)c(Cl)c3)C2c2ccco2)cc1Cl ZINC000029132152 563097287 /nfs/dbraw/zinc/09/72/87/563097287.db2.gz PAKNJBOBQXTNKT-UHFFFAOYSA-N 0 0 456.200 6.910 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2nc(NCc3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)n2)cc1 ZINC000029132381 563097361 /nfs/dbraw/zinc/09/73/61/563097361.db2.gz RMWPVHACDSIQRH-UHFFFAOYSA-N 0 0 475.414 5.197 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)N[C@@H](C)c3ccccc3)c2cc1OC ZINC000029134268 563097803 /nfs/dbraw/zinc/09/78/03/563097803.db2.gz DJNWXYTWORPJNI-SFHVURJKSA-N 0 0 485.540 5.714 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(C)cc3)c2cc1OC ZINC000029134479 563097873 /nfs/dbraw/zinc/09/78/73/563097873.db2.gz YULUVWHIOGBTPX-UHFFFAOYSA-N 0 0 471.513 5.784 1 0 JKAFRN COc1cc2nccc(Oc3cc4cccc(C(=O)Nc5ccc(Cl)cc5)c4cn3)c2cc1OC ZINC000029134632 563098000 /nfs/dbraw/zinc/09/80/00/563098000.db2.gz WUANCPLKWGTTNL-UHFFFAOYSA-N 0 0 485.927 6.498 1 0 JKAFRN CN(c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1OCc1ccccc1)S(C)(=O)=O ZINC000029135934 563098090 /nfs/dbraw/zinc/09/80/90/563098090.db2.gz MMTONIVSBYCXLL-UHFFFAOYSA-N 0 0 486.593 5.581 1 0 JKAFRN CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@H](c3cccc(Cl)c3)n3ccnc3)cc2)CC1 ZINC000029135355 563098120 /nfs/dbraw/zinc/09/81/20/563098120.db2.gz BNLOSRQXYNQANU-XMMPIXPASA-N 0 0 467.013 5.227 1 0 JKAFRN CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@@H](c3cccc(Cl)c3)n3ccnc3)cc2)CC1 ZINC000029135353 563098142 /nfs/dbraw/zinc/09/81/42/563098142.db2.gz BNLOSRQXYNQANU-DEOSSOPVSA-N 0 0 467.013 5.227 1 0 JKAFRN CC(=O)Nc1ccc(-c2c(=O)n(CCO)nc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1 ZINC000029204847 563098267 /nfs/dbraw/zinc/09/82/67/563098267.db2.gz RMUGAEBVZXXSGF-UHFFFAOYSA-N 0 0 494.378 5.502 1 0 JKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCOc2ccc(C(=O)OC)cc2)cc1 ZINC000029216439 563098717 /nfs/dbraw/zinc/09/87/17/563098717.db2.gz CRBPVNAOSZIFMF-UHFFFAOYSA-N 0 0 469.622 6.652 1 0 JKAFRN CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2CC)cc1)OCC ZINC000029222163 563098833 /nfs/dbraw/zinc/09/88/33/563098833.db2.gz NCXVZIKORPKREN-UHFFFAOYSA-N 0 0 479.311 5.612 1 0 JKAFRN CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)[nH]2)cc1)OCC ZINC000029223176 563098834 /nfs/dbraw/zinc/09/88/34/563098834.db2.gz AYJBZGXATRLJCM-UHFFFAOYSA-N 0 0 451.257 5.119 1 0 JKAFRN CCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000029235856 563099215 /nfs/dbraw/zinc/09/92/15/563099215.db2.gz PMEQOSATRUMGIO-UHFFFAOYSA-N 0 0 457.405 5.848 1 0 JKAFRN O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CS(=O)(=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000029244142 563099376 /nfs/dbraw/zinc/09/93/76/563099376.db2.gz JOQWUOLWSHIFOH-BULGVLKTSA-N 0 0 476.985 5.021 1 0 JKAFRN COc1cc2c(cc1OC)-c1cc(Nc3c(Cl)cc(Cl)cc3Cl)nc(=O)n1CC2 ZINC000029246831 563099445 /nfs/dbraw/zinc/09/94/45/563099445.db2.gz IZORNGLUCUVZAL-UHFFFAOYSA-N 0 0 452.725 5.187 1 0 JKAFRN CCN(CC)C(=O)N1CCN(Cc2cc(Nc3ccnc4cc(Cl)ccc43)ccc2OC)CC1 ZINC000029250603 563099595 /nfs/dbraw/zinc/09/95/95/563099595.db2.gz XUQUHZGXPASUKJ-UHFFFAOYSA-N 0 0 482.028 5.220 1 0 JKAFRN CCCOc1c(OCCC)c(OC(=O)C(C)(C)C)c2cc(Cl)ccc2c1OC(=O)C(C)(C)C ZINC000029251281 563099628 /nfs/dbraw/zinc/09/96/28/563099628.db2.gz MLQMKRWCJATRHT-UHFFFAOYSA-N 0 0 479.013 6.974 1 0 JKAFRN COc1ccc([C@H]2CC[C@H](OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029313162 563099865 /nfs/dbraw/zinc/09/98/65/563099865.db2.gz MVRRGYZBJXBPFE-LEAFIULHSA-N 0 0 458.558 5.805 1 0 JKAFRN COc1ccc([C@@H]2CC[C@@H](OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029313088 563099890 /nfs/dbraw/zinc/09/98/90/563099890.db2.gz MVRRGYZBJXBPFE-LSYYVWMOSA-N 0 0 458.558 5.805 1 0 JKAFRN CC(=O)Oc1c2ccc(Cl)cc2c(OC(C)=O)c(Oc2ccccc2)c1Oc1ccccc1 ZINC000029316125 563099980 /nfs/dbraw/zinc/09/99/80/563099980.db2.gz CBEAVLISFDMHNK-UHFFFAOYSA-N 0 0 462.885 6.928 1 0 JKAFRN CCCOc1c(OCCC)c(OC(=O)CCC)c2cc(Cl)ccc2c1OC(=O)CCC ZINC000029317218 563100018 /nfs/dbraw/zinc/10/00/18/563100018.db2.gz VZJDWROKWMNTRH-UHFFFAOYSA-N 0 0 450.959 6.482 1 0 JKAFRN CN(C)C(=O)/C=C/c1ccc(S[C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]23)cc1 ZINC000029318395 563100066 /nfs/dbraw/zinc/10/00/66/563100066.db2.gz FROPUNBJULYSGP-YJSPFPDRSA-N 0 0 477.670 5.481 1 0 JKAFRN CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)C[C@@H](C(C)C)CC2 ZINC000029332998 563100637 /nfs/dbraw/zinc/10/06/37/563100637.db2.gz RIECBBWHSZFSGJ-NRFANRHFSA-N 0 0 468.605 5.522 1 0 JKAFRN CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CC[C@H](C(C)C)CC2 ZINC000029336883 563100761 /nfs/dbraw/zinc/10/07/61/563100761.db2.gz TWXQLFKPZLJSQR-JOCHJYFZSA-N 0 0 468.649 6.272 1 0 JKAFRN CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)C1c2ccccc2Oc2ccccc21)CC(C)C ZINC000029343423 563101207 /nfs/dbraw/zinc/10/12/07/563101207.db2.gz WPVDDXPJBLJKSZ-NFBKMPQASA-N 0 0 478.633 5.213 1 0 JKAFRN CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000029346205 563101369 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/nfs/dbraw/zinc/11/79/72/563117972.db2.gz CFODJXSQXWCMFC-GGXMVOPNSA-N 0 0 489.635 5.483 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986704 563117973 /nfs/dbraw/zinc/11/79/73/563117973.db2.gz CFODJXSQXWCMFC-WNJJXGMVSA-N 0 0 489.635 5.483 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987041 563118032 /nfs/dbraw/zinc/11/80/32/563118032.db2.gz QCAXZVDPYLKDGZ-WUFINQPMSA-N 0 0 486.660 5.136 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CC(=O)NCc1ccccc1F)c1ccccc1)C(C)C ZINC000034987272 563118040 /nfs/dbraw/zinc/11/80/40/563118040.db2.gz SBEQMVQMXSOEDS-LSYYVWMOSA-N 0 0 475.608 5.440 1 0 JKAFRN CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N ZINC000035000930 563118075 /nfs/dbraw/zinc/11/80/75/563118075.db2.gz FANRGJYMFODVQJ-UHFFFAOYSA-N 0 0 487.408 6.595 1 0 JKAFRN CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12 ZINC000035002901 563118168 /nfs/dbraw/zinc/11/81/68/563118168.db2.gz 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CYLJHDMRPKFBIE-GBFSNZKCSA-N 0 0 490.725 5.909 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)C(C)C)c1 ZINC000035095841 563119198 /nfs/dbraw/zinc/11/91/98/563119198.db2.gz LACNNWRUQCWIDK-LJQANCHMSA-N 0 0 454.014 6.162 1 0 JKAFRN CCCCCN(C(=O)c1ccc(C)cc1)[C@@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000035094407 563119215 /nfs/dbraw/zinc/11/92/15/563119215.db2.gz WFPLXKYLVLBZIC-SANMLTNESA-N 0 0 497.639 6.486 1 0 JKAFRN O=C1CCS[C@@H](c2c(Cl)cccc2Cl)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091114 563119221 /nfs/dbraw/zinc/11/92/21/563119221.db2.gz FBRYGPCPXKLTFL-NRFANRHFSA-N 0 0 466.821 6.271 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c1 ZINC000035097448 563119312 /nfs/dbraw/zinc/11/93/12/563119312.db2.gz MIKZUXOTVWZUKM-HXUWFJFHSA-N 0 0 489.566 6.445 1 0 JKAFRN COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 ZINC000035276071 563119919 /nfs/dbraw/zinc/11/99/19/563119919.db2.gz IYHZCJNEODJYKB-DMCZWXATSA-N 0 0 494.628 5.247 1 0 in-vitro JKAFRN O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000035325127 563120031 /nfs/dbraw/zinc/12/00/31/563120031.db2.gz WYDDPFDEYBYHQA-UHFFFAOYSA-N 0 0 480.439 5.927 1 0 JKAFRN FC(F)(F)c1cc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c(N2CCCCC2)c1 ZINC000035783901 563120300 /nfs/dbraw/zinc/12/03/00/563120300.db2.gz HHTJUOATJDYQCI-UHFFFAOYSA-N 0 0 498.475 5.312 1 0 JKAFRN COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000035801685 563120370 /nfs/dbraw/zinc/12/03/70/563120370.db2.gz NGRDPXBZMGDVFN-QGZVFWFLSA-N 0 0 452.749 5.466 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCC[C@@H](F)C1 ZINC000035802502 563120382 /nfs/dbraw/zinc/12/03/82/563120382.db2.gz XFXOYVZSTQCSQN-SJDLMVEWSA-N 0 0 487.938 5.103 1 0 JKAFRN CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc32)s1 ZINC000035802129 563120388 /nfs/dbraw/zinc/12/03/88/563120388.db2.gz JFQGJCMLAGJOFH-UHFFFAOYSA-N 0 0 471.648 5.073 1 0 JKAFRN COC(=O)c1c(-c2cccs2)c(-c2cccs2)c2c3cc(OC)c(OC(C)C)cc3ccn12 ZINC000035872705 563120908 /nfs/dbraw/zinc/12/09/08/563120908.db2.gz VZEMZYRAPQZHGZ-UHFFFAOYSA-N 0 0 477.607 7.132 1 0 JKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCCC2)c2ccccc21 ZINC000035862751 563120963 /nfs/dbraw/zinc/12/09/63/563120963.db2.gz VLVYGPOBUIHHAE-UHFFFAOYSA-N 0 0 467.491 7.193 1 0 JKAFRN Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccc4n[nH]cc4c3)=C(C)N2)cc1F ZINC000035880058 563120990 /nfs/dbraw/zinc/12/09/90/563120990.db2.gz AUZZJWUIAZQEBQ-DEOSSOPVSA-N 0 0 457.484 5.153 1 0 JKAFRN Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000035880681 563121150 /nfs/dbraw/zinc/12/11/50/563121150.db2.gz GMJBSGFSLCGHEK-UHFFFAOYSA-N 0 0 483.852 6.390 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc32)c(CN2CCS(=O)(=O)CC2)s1 ZINC000035921870 563121195 /nfs/dbraw/zinc/12/11/95/563121195.db2.gz YZLQVSPFQNEVGA-UHFFFAOYSA-N 0 0 471.648 5.073 1 0 JKAFRN C[C@H](Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000035934742 563121325 /nfs/dbraw/zinc/12/13/25/563121325.db2.gz VRFBKBFDZDKNBO-LBPRGKRZSA-N 0 0 451.329 5.465 1 0 JKAFRN Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl ZINC000035952679 563121435 /nfs/dbraw/zinc/12/14/35/563121435.db2.gz CJXUHPRULWSPBE-UHFFFAOYSA-N 0 0 469.250 5.494 1 0 in-vivo JKAFRN CN1CC[NH+]([C@H]2COc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)[O-])cc4n3C2)CC1 ZINC000035939959 563121478 /nfs/dbraw/zinc/12/14/78/563121478.db2.gz KJZBMVNHANPLFP-JOCHJYFZSA-N 0 0 473.617 5.063 1 0 JKAFRN COC(=O)c1c(-c2cccc(O)c2)c(-c2cccc(O)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000035984936 563121685 /nfs/dbraw/zinc/12/16/85/563121685.db2.gz RMBWWLOGTRRXAG-UHFFFAOYSA-N 0 0 455.466 5.339 1 0 JKAFRN O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000035985678 563121777 /nfs/dbraw/zinc/12/17/77/563121777.db2.gz YZBMBXSAQFTDCP-WJOKGBTCSA-N 0 0 496.054 6.412 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4n3)c3ccccc32)CC1 ZINC000036089362 563121994 /nfs/dbraw/zinc/12/19/94/563121994.db2.gz UHAUBAVEWTXMNB-UHFFFAOYSA-N 0 0 497.002 5.010 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3nccc4ccccc43)c3ccccc32)CC1 ZINC000036089446 563122012 /nfs/dbraw/zinc/12/20/12/563122012.db2.gz DFZQEPFGPDCJJF-UHFFFAOYSA-N 0 0 497.002 5.010 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc(Cl)cc3)c3ccccc32)CC1 ZINC000036089346 563122028 /nfs/dbraw/zinc/12/20/28/563122028.db2.gz HGMMGLOURNIPOW-UHFFFAOYSA-N 0 0 480.399 5.116 1 0 JKAFRN Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000036093418 563122226 /nfs/dbraw/zinc/12/22/26/563122226.db2.gz POQKPOUSJVGFHD-UHFFFAOYSA-N 0 0 468.597 5.414 1 0 in-vivo JKAFRN COC(=O)CCC[C@H]1CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175695 563123170 /nfs/dbraw/zinc/12/31/70/563123170.db2.gz AFKBLOZTLRRCHH-HJPURHCSSA-N 0 0 470.965 5.821 1 0 JKAFRN O=C([O-])C[C@@H]1C[NH2+][C@@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178522 563123449 /nfs/dbraw/zinc/12/34/49/563123449.db2.gz UNTMCOZQSGVJBE-QVKFZJNVSA-N 0 0 461.505 6.138 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)N(Cc1ccccc1)c1cc(Nc2ccc(F)cc2)ncn1 ZINC000036187630 563123905 /nfs/dbraw/zinc/12/39/05/563123905.db2.gz VVAKISYAKZFMOQ-UHFFFAOYSA-N 0 0 461.928 6.560 1 0 JKAFRN CCCCc1nc(C(F)(F)c2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n(CCCC)n1 ZINC000036222097 563124541 /nfs/dbraw/zinc/12/45/41/563124541.db2.gz SPKADPHYUYBOJK-UHFFFAOYSA-N 0 0 451.525 5.408 1 0 JKAFRN CCCC[C@H]1N(C)c2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222157 563124549 /nfs/dbraw/zinc/12/45/49/563124549.db2.gz VZTDTBMYBCPLKJ-NDEPHWFRSA-N 0 0 494.643 6.266 1 0 JKAFRN CCCCc1nc2ccc([C@@H](C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222133 563124553 /nfs/dbraw/zinc/12/45/53/563124553.db2.gz BWEPYZHEFBWAPC-LJQANCHMSA-N 0 0 494.599 5.342 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000036294680 563125454 /nfs/dbraw/zinc/12/54/54/563125454.db2.gz GEUFMHWPIXFMJY-GJZGRUSLSA-N 0 0 475.807 5.876 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000036294676 563125484 /nfs/dbraw/zinc/12/54/84/563125484.db2.gz GEUFMHWPIXFMJY-GASCZTMLSA-N 0 0 475.807 5.876 1 0 JKAFRN Cc1c(C(=O)NN2CCCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000036294674 563125496 /nfs/dbraw/zinc/12/54/96/563125496.db2.gz LQTJYGFNLAHJMG-UHFFFAOYSA-N 0 0 477.823 6.329 1 0 JKAFRN O=C(NN1CCCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000036294687 563125503 /nfs/dbraw/zinc/12/55/03/563125503.db2.gz FGOQFLMSMYAHKN-UHFFFAOYSA-N 0 0 463.796 6.020 1 0 JKAFRN Cc1cc2c(cc1Cl)-c1c(c(C(=O)NN3CCCCC3)nn1-c1ccc(Cl)cc1Cl)C2 ZINC000036294938 563125565 /nfs/dbraw/zinc/12/55/65/563125565.db2.gz KYLWGEHXPLSXCG-UHFFFAOYSA-N 0 0 475.807 5.843 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000036294719 563125570 /nfs/dbraw/zinc/12/55/70/563125570.db2.gz AKOJRLZCOBTYPX-GASCZTMLSA-N 0 0 476.795 5.271 1 0 JKAFRN O=C(N[C@H]1CCc2ccccc21)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294726 563125571 /nfs/dbraw/zinc/12/55/71/563125571.db2.gz ZMXLTDWQWGKLBP-NRFANRHFSA-N 0 0 483.786 6.312 1 0 JKAFRN CN(Cc1nc[nH]n1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324238 563125765 /nfs/dbraw/zinc/12/57/65/563125765.db2.gz UCWYYDBINVOBHN-URVUXULASA-N 0 0 498.471 5.806 1 0 JKAFRN CNC(=O)N[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324363 563125863 /nfs/dbraw/zinc/12/58/63/563125863.db2.gz CYTXURWJLFQPDZ-QYZOEREBSA-N 0 0 460.418 5.485 1 0 JKAFRN CN(C)C(=O)N(C)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324318 563125866 /nfs/dbraw/zinc/12/58/66/563125866.db2.gz PSFFYUGEAZLKJI-HKBOAZHASA-N 0 0 488.472 6.169 1 0 JKAFRN CSCc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@]2(C)c2cccc3ccccc32)cc1 ZINC000036330413 563126011 /nfs/dbraw/zinc/12/60/11/563126011.db2.gz FOAZKKVMCXADMU-LJAQVGFWSA-N 0 0 498.652 5.669 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000036379196 563127461 /nfs/dbraw/zinc/12/74/61/563127461.db2.gz TWIQBYRAGSLENG-XCZPVHLTSA-N 0 0 487.577 5.191 1 0 JKAFRN O=C(OCc1ccc(CSc2nnc(-c3cccc4ccccc43)o2)cc1)c1ccc(F)cc1 ZINC000036381504 563127689 /nfs/dbraw/zinc/12/76/89/563127689.db2.gz LSBQZXGOQACJTN-UHFFFAOYSA-N 0 0 470.525 6.678 3 0 JKAFRN COc1cc([C@H](CC2=C(c3ccccc3)Cc3ccccc32)NC(=O)C(F)(F)F)cc(OC)c1OC ZINC000036381931 563127837 /nfs/dbraw/zinc/12/78/37/563127837.db2.gz MEXBSNPJFUWWAM-QHCPKHFHSA-N 0 0 497.513 5.989 1 0 JKAFRN COc1cc2c(c(OC)c1OC)C(c1ccccc1)(c1ccccc1)C[C@H]2NC(=O)C(F)(F)F ZINC000036381920 563127843 /nfs/dbraw/zinc/12/78/43/563127843.db2.gz XABQNSIWZIEHSH-LJQANCHMSA-N 0 0 471.475 5.170 1 0 JKAFRN COc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1SC1CCCCC1 ZINC000036382331 563127880 /nfs/dbraw/zinc/12/78/80/563127880.db2.gz JIOJCLPCYYOGRP-UHFFFAOYSA-N 0 0 457.643 7.355 3 0 JKAFRN CCCCCCSc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC ZINC000036382341 563127970 /nfs/dbraw/zinc/12/79/70/563127970.db2.gz XENICHOJHQQXPQ-UHFFFAOYSA-N 0 0 472.098 8.080 3 0 JKAFRN O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Cl)cc1 ZINC000036382398 563128048 /nfs/dbraw/zinc/12/80/48/563128048.db2.gz RDZQYIXINFQISV-RUZDIDTESA-N 0 0 496.014 5.263 3 0 JKAFRN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3c2c(=N)ncn3Cc2ccccc2)cc1OC ZINC000036382511 563128128 /nfs/dbraw/zinc/12/81/28/563128128.db2.gz GHNDRWHAMFAFPW-SANMLTNESA-N 0 0 475.548 5.867 1 0 JKAFRN COc1ccc([C@@H]2c3c(ccc4ccccc43)Oc3c2c(=N)ncn3CCc2ccccc2)cc1OC ZINC000036382512 563128155 /nfs/dbraw/zinc/12/81/55/563128155.db2.gz AKNYOSDSMVKUCT-HHHXNRCGSA-N 0 0 489.575 6.062 1 0 JKAFRN COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4ccc(Cl)cc4Cl)[C@H]3C2=O)cc1OC ZINC000036383077 563128270 /nfs/dbraw/zinc/12/82/70/563128270.db2.gz RZSMAWZMADNAKI-UQNRQAKVSA-N 0 0 489.399 5.190 1 0 JKAFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000036384279 563128411 /nfs/dbraw/zinc/12/84/11/563128411.db2.gz PFOHKICGWFMQEN-WIOPSUGQSA-N 0 0 492.591 5.610 3 0 JKAFRN C[C@@]12C(=O)Nc3ccccc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036387255 563129074 /nfs/dbraw/zinc/12/90/74/563129074.db2.gz UVNSQGXYZIXTQS-WVIBYCHQSA-N 0 0 489.369 5.149 3 0 JKAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)CC(=O)N4Cc1ccc(OC)cc1 ZINC000036387952 563129331 /nfs/dbraw/zinc/12/93/31/563129331.db2.gz UCELPMARSSWDIG-VNIGDMRNSA-N 0 0 467.650 5.752 3 0 JKAFRN COC(=O)c1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036387961 563129349 /nfs/dbraw/zinc/12/93/49/563129349.db2.gz DBZJHEYHUYZQMI-YSABAHSFSA-N 0 0 481.592 6.061 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000036388394 563129421 /nfs/dbraw/zinc/12/94/21/563129421.db2.gz SMKIVOGOMKHMBF-CRMNJMDHSA-N 0 0 471.572 6.422 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1C ZINC000036388253 563129439 /nfs/dbraw/zinc/12/94/39/563129439.db2.gz MRBLBQQLABEGTE-CBUSEGMESA-N 0 0 467.609 6.591 1 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036388472 563129492 /nfs/dbraw/zinc/12/94/92/563129492.db2.gz RLESMRRFAOTYKF-YADARESESA-N 0 0 460.505 5.159 3 0 JKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000036388439 563129500 /nfs/dbraw/zinc/12/95/00/563129500.db2.gz PDTHXPVGGVIYNJ-VRBKJDTBSA-N 0 0 471.572 6.422 1 0 JKAFRN COc1cccc(-c2c3cc(-c4cccc5[nH]ccc54)ccc3n(C)c2-c2cc(OC)cc(OC)c2)c1 ZINC000036388655 563129536 /nfs/dbraw/zinc/12/95/36/563129536.db2.gz LXOVPYRSNDYAIH-UHFFFAOYSA-N 0 0 488.587 7.686 3 0 JKAFRN COc1ccc(-c2c3cc(-c4ccc5[nH]ccc5c4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388651 563129570 /nfs/dbraw/zinc/12/95/70/563129570.db2.gz XYGOAKQBGKYKKB-UHFFFAOYSA-N 0 0 488.587 7.686 3 0 JKAFRN COc1cccc(-c2c3cc(-c4ccc(OC)nc4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)c1 ZINC000036388656 563129584 /nfs/dbraw/zinc/12/95/84/563129584.db2.gz AOYISLGIFRTMHA-UHFFFAOYSA-N 0 0 480.564 6.609 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000036388827 563129655 /nfs/dbraw/zinc/12/96/55/563129655.db2.gz QLCAMLMFPVSVHF-UHFFFAOYSA-N 0 0 457.555 6.057 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5cc[nH]c5c4)ccc3n2C)c1 ZINC000036388821 563129666 /nfs/dbraw/zinc/12/96/66/563129666.db2.gz APPICPSGOKLAOX-UHFFFAOYSA-N 0 0 464.590 7.739 3 0 JKAFRN COc1ccc(-c2c3cc(-c4ccc(N(C)C)nc4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388841 563129675 /nfs/dbraw/zinc/12/96/75/563129675.db2.gz XDNOSOOUQSKDRE-UHFFFAOYSA-N 0 0 493.607 6.666 3 0 JKAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccnn1-c1ccccc1 ZINC000036411127 563129896 /nfs/dbraw/zinc/12/98/96/563129896.db2.gz IEPSDPQIXVMMEW-LJQANCHMSA-N 0 0 468.442 5.152 1 0 JKAFRN Clc1ccc([C@H](COCc2ccc(OCc3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000036446020 563130211 /nfs/dbraw/zinc/13/02/11/563130211.db2.gz ROFBUOPSHLHPOO-NRFANRHFSA-N 0 0 468.384 6.165 1 0 JKAFRN Cc1ccc(C(=O)n2c3cc(Cl)c(Cl)cc3nc2CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000036473799 563130358 /nfs/dbraw/zinc/13/03/58/563130358.db2.gz KAJPXTRXOLPDFA-UHFFFAOYSA-N 0 0 478.335 5.179 1 0 JKAFRN COCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000036479368 563130506 /nfs/dbraw/zinc/13/05/06/563130506.db2.gz WFBGXSNIRYDHLU-BJKOFHAPSA-N 0 0 483.395 5.237 1 0 JKAFRN Cn1c(CNc2cccc(-c3c(Cc4ccccc4)nnc4c(Cl)cccc43)c2)cc2ccccc21 ZINC000036485908 563130600 /nfs/dbraw/zinc/13/06/00/563130600.db2.gz VFJCBPIZXGHCID-UHFFFAOYSA-N 0 0 489.022 7.645 1 0 JKAFRN CCOC(=O)/C=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c3cc(Br)ccc3oc21 ZINC000036489432 563130610 /nfs/dbraw/zinc/13/06/10/563130610.db2.gz XCVMDZSUEMPSHQ-YGLVHGNISA-N 0 0 464.315 6.429 1 0 JKAFRN CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(C3CC3)c2)cc1 ZINC000036487488 563130611 /nfs/dbraw/zinc/13/06/11/563130611.db2.gz XLBVIVMSGWHOQI-UHFFFAOYSA-N 0 0 462.656 5.422 1 0 JKAFRN COc1cc2nccc(Oc3ccc(-c4c(C)nc(Cc5ccccc5)[nH]c4=O)cc3F)c2cc1OC ZINC000036488963 563130632 /nfs/dbraw/zinc/13/06/32/563130632.db2.gz LNXBIINVDNXZNZ-UHFFFAOYSA-N 0 0 497.526 5.833 1 0 JKAFRN C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2cccc(F)c2)n1)c1ccccc1 ZINC000036761630 563130736 /nfs/dbraw/zinc/13/07/36/563130736.db2.gz HASYADKPJYMZDK-KRWDZBQOSA-N 0 0 461.928 6.812 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1cccc(Cl)c1)c2NC(C)(C)CC(C)(C)C ZINC000037665558 563130896 /nfs/dbraw/zinc/13/08/96/563130896.db2.gz FIRKQAQLUPPGNJ-UHFFFAOYSA-N 0 0 490.047 7.809 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)[C@H]1C[C@H]1c1ccccc1)c2NC(C)(C)CC(C)(C)C ZINC000037666796 563130935 /nfs/dbraw/zinc/13/09/35/563130935.db2.gz AHUMYXYGCWSEBE-DQEYMECFSA-N 0 0 495.667 7.646 1 0 JKAFRN CC(C)=CCN1c2cccc(Br)c2[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)C1=O ZINC000038142351 563131335 /nfs/dbraw/zinc/13/13/35/563131335.db2.gz OGYGVBPVRYSTPU-BCQCSXDESA-N 0 0 494.429 6.162 1 0 JKAFRN COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000038142335 563131358 /nfs/dbraw/zinc/13/13/58/563131358.db2.gz FLVHDWAJCGSXPK-IQOKHDRSSA-N 0 0 463.496 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O=C(Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1)c1ccccc1 ZINC000038147872 563131871 /nfs/dbraw/zinc/13/18/71/563131871.db2.gz WXYBOTTVAAHCJT-UHFFFAOYSA-N 0 0 466.928 6.388 1 0 JKAFRN Cc1ccccc1C(=O)Nc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3[nH]2)cc1 ZINC000038147875 563131892 /nfs/dbraw/zinc/13/18/92/563131892.db2.gz OQNXRKFQEIPFTF-UHFFFAOYSA-N 0 0 480.955 6.696 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@](CC)(C(=O)OC)c1ccccc1 ZINC000038149622 563132090 /nfs/dbraw/zinc/13/20/90/563132090.db2.gz WRDYYYJMUBDBTD-IBGZPJMESA-N 0 0 463.418 5.304 1 0 JKAFRN C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C ZINC000038156581 563132689 /nfs/dbraw/zinc/13/26/89/563132689.db2.gz MBXSPMOLIYZPJV-JUUKRYNOSA-N 0 0 460.699 5.457 1 0 JKAFRN FC(F)(F)c1cc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c(-c2cccs2)c1 ZINC000038157643 563132837 /nfs/dbraw/zinc/13/28/37/563132837.db2.gz WQGRXFDLFXNGAX-UHFFFAOYSA-N 0 0 497.468 6.051 1 0 JKAFRN 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CC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)C1 ZINC000038909999 563135732 /nfs/dbraw/zinc/13/57/32/563135732.db2.gz XZOULICPSKKNIM-PMUYMYJASA-N 0 0 462.565 5.020 1 0 JKAFRN COc1cccc2c(-c3ccc4c(c3OCc3ccccc3)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000038972090 563135977 /nfs/dbraw/zinc/13/59/77/563135977.db2.gz YFSRIEGECPRMLH-FGZHOGPDSA-N 0 0 495.619 6.875 1 0 JKAFRN Clc1ccc([C@@H](COCc2cccc(Oc3ccccc3)c2)Cn2cncn2)c(Cl)c1 ZINC000039145207 563136272 /nfs/dbraw/zinc/13/62/72/563136272.db2.gz TWWPPPCAVPBBNF-LJQANCHMSA-N 0 0 454.357 6.378 1 0 JKAFRN CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000039204528 563136410 /nfs/dbraw/zinc/13/64/10/563136410.db2.gz CTNHZEZBBGIUJB-HRQAAHFGSA-N 0 0 474.726 5.083 3 0 JKAFRN COC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242755 563136525 /nfs/dbraw/zinc/13/65/25/563136525.db2.gz WDQXQYWLWWZCPU-HSZRJFAPSA-N 0 0 458.476 7.088 1 0 JKAFRN COC(=O)[C@H](Oc1ccc(C(C)(C)C)cc1Cl)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242699 563136526 /nfs/dbraw/zinc/13/65/26/563136526.db2.gz SHAAYHVHYPEYPB-HSZRJFAPSA-N 0 0 459.369 7.376 1 0 JKAFRN CN(CCc1ccccn1)C(=O)c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1 ZINC000039300660 563136611 /nfs/dbraw/zinc/13/66/11/563136611.db2.gz GWIHJVHADYNZDE-UHFFFAOYSA-N 0 0 481.585 5.283 1 0 JKAFRN CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)o1)C1CCCCC1 ZINC000039299564 563136641 /nfs/dbraw/zinc/13/66/41/563136641.db2.gz JFDVHGPZDKQUGQ-SANMLTNESA-N 0 0 499.567 5.370 1 0 in-vitro JKAFRN CC(C)(C)CC(=O)OC[C@@]1(CO)C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)O1 ZINC000040379291 563137185 /nfs/dbraw/zinc/13/71/85/563137185.db2.gz UYUHHBNFXXNGDT-NIAMQAJOSA-N 0 0 476.491 5.413 1 0 JKAFRN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3ccc(C)cc3)s2)cc1 ZINC000040379554 563137228 /nfs/dbraw/zinc/13/72/28/563137228.db2.gz BNWKBRLKKLEQFX-LFIBNONCSA-N 0 0 452.539 5.392 1 0 JKAFRN CC(C)(C)CC(=O)OC[C@]1(CO)C/C(=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)O1 ZINC000040379290 563137234 /nfs/dbraw/zinc/13/72/34/563137234.db2.gz UYUHHBNFXXNGDT-OMWANQMDSA-N 0 0 476.491 5.413 1 0 JKAFRN Nn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040379532 563137243 /nfs/dbraw/zinc/13/72/43/563137243.db2.gz BKWGPDGMHPABLU-UHFFFAOYSA-N 0 0 481.167 5.142 1 0 JKAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCn3ccnc3)c1cc2-c1c(Cl)cccc1Cl ZINC000040379660 563137311 /nfs/dbraw/zinc/13/73/11/563137311.db2.gz PNTYTKGROPLTAM-UHFFFAOYSA-N 0 0 491.334 5.254 1 0 JKAFRN CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379701 563137328 /nfs/dbraw/zinc/13/73/28/563137328.db2.gz LORDNDOVJPPRKN-OAQYLSRUSA-N 0 0 484.312 5.283 1 0 JKAFRN CC(C)OP(=O)(N[C@H](C(=O)Nc1ccc(/C=C/c2ccccc2)cc1)C(C)C)OC(C)C ZINC000040380125 563137485 /nfs/dbraw/zinc/13/74/85/563137485.db2.gz OVQYCMKQGXYVQR-BYUVYSIJSA-N 0 0 458.539 6.368 1 0 JKAFRN O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(F)c1)Nc1c(F)cccc1F ZINC000040380225 563137587 /nfs/dbraw/zinc/13/75/87/563137587.db2.gz DKBFFKQQPFIVDI-UHFFFAOYSA-N 0 0 453.464 5.409 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000040391477 563137840 /nfs/dbraw/zinc/13/78/40/563137840.db2.gz IEVBFWFZYFSLJT-UHFFFAOYSA-N 0 0 485.043 7.799 1 0 JKAFRN COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)cc2oc1=O ZINC000040391489 563137849 /nfs/dbraw/zinc/13/78/49/563137849.db2.gz CZWVOYZQAGCEKA-UHFFFAOYSA-N 0 0 461.514 5.462 1 0 JKAFRN CN(C)c1nc2sc(Nc3c(Cl)cccc3Cl)nc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040392607 563138024 /nfs/dbraw/zinc/13/80/24/563138024.db2.gz YVRFHLUDZODOSV-UHFFFAOYSA-N 0 0 499.349 6.965 1 0 JKAFRN Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2F)C[C@H]1N1CCc2ccccc2C1 ZINC000040392941 563138111 /nfs/dbraw/zinc/13/81/11/563138111.db2.gz VUWPHOJUKRZAQN-SANMLTNESA-N 0 0 488.513 6.066 1 0 JKAFRN CC1(C)C[C@@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040392837 563138137 /nfs/dbraw/zinc/13/81/37/563138137.db2.gz NWMARDZCSODKRZ-OAQYLSRUSA-N 0 0 470.329 5.757 1 0 JKAFRN CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000040392872 563138160 /nfs/dbraw/zinc/13/81/60/563138160.db2.gz PAZFNSWZKAZYBC-VFQRJJJSSA-N 0 0 496.444 5.545 1 0 JKAFRN Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040393021 563138207 /nfs/dbraw/zinc/13/82/07/563138207.db2.gz AZUIQHTUHDVTOW-SANMLTNESA-N 0 0 470.523 5.927 1 0 JKAFRN O=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Br)c2)cc1C(F)(F)F ZINC000040393558 563138563 /nfs/dbraw/zinc/13/85/63/563138563.db2.gz XOGVVEYHWCVGSM-UHFFFAOYSA-N 0 0 468.248 5.676 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cccc(-c2ccc(F)cc2)[n+]1[O-] ZINC000040394083 563138646 /nfs/dbraw/zinc/13/86/46/563138646.db2.gz UQVQABXFQLZIAR-UHFFFAOYSA-N 0 0 458.424 5.186 1 0 JKAFRN Fc1ccc(-c2noc(C3CCN(c4cnc5c(cccc5C(F)(F)F)c4)CC3)n2)c(Cl)c1 ZINC000040394323 563138702 /nfs/dbraw/zinc/13/87/02/563138702.db2.gz QCKIBTZYAAOBTL-UHFFFAOYSA-N 0 0 476.861 6.480 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4cc(C(F)(F)F)ccc4[nH]3)cc2C)n1 ZINC000040394796 563138897 /nfs/dbraw/zinc/13/88/97/563138897.db2.gz ATRPQMWXVVIWMO-UHFFFAOYSA-N 0 0 491.477 6.320 1 0 JKAFRN O=C(Nc1nc(CCNc2ncnc3ccsc32)cs1)Nc1cccc(C(F)(F)F)c1 ZINC000040395039 563138995 /nfs/dbraw/zinc/13/89/95/563138995.db2.gz IBZIMOXPGQXXBE-UHFFFAOYSA-N 0 0 464.498 5.465 1 0 JKAFRN COC(=O)[C@@H](CC1CCCCC1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 ZINC000040395312 563139106 /nfs/dbraw/zinc/13/91/06/563139106.db2.gz VFTYRVUICAXLBU-HSZRJFAPSA-N 0 0 485.646 5.541 1 0 JKAFRN FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 ZINC000040402709 563139653 /nfs/dbraw/zinc/13/96/53/563139653.db2.gz QJIXKBNNYAEGKH-PZJWPPBQSA-N 0 0 483.943 5.487 1 0 in-vitro JKAFRN CCOCCCn1c(Cc2ccccc2)nc2cc3c(cc21)ncnc3Nc1ccc(OC)cc1 ZINC000040403531 563139701 /nfs/dbraw/zinc/13/97/01/563139701.db2.gz ZVNNKFDSAINXKV-UHFFFAOYSA-N 0 0 467.573 5.749 1 0 JKAFRN Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(Br)cc3)O2)cc1 ZINC000040403085 563139731 /nfs/dbraw/zinc/13/97/31/563139731.db2.gz KIUWJSGTERNDEJ-FGZHOGPDSA-N 0 0 477.786 5.123 1 0 JKAFRN CC(=O)Nc1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2C(F)(F)F)c1 ZINC000040405095 563139988 /nfs/dbraw/zinc/13/99/88/563139988.db2.gz ICWYDEVXQAEVBR-UHFFFAOYSA-N 0 0 476.455 6.386 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(NCC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040405853 563139998 /nfs/dbraw/zinc/13/99/98/563139998.db2.gz FZXJMIHXHODXER-UHFFFAOYSA-N 0 0 454.574 5.271 1 0 JKAFRN O=C(NC1CCCC1)Oc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000040405687 563140016 /nfs/dbraw/zinc/14/00/16/563140016.db2.gz HXSZKIVFJMVHTO-UHFFFAOYSA-N 0 0 495.233 8.665 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040406578 563140218 /nfs/dbraw/zinc/14/02/18/563140218.db2.gz GEZHTECETAHKRO-XMMPIXPASA-N 0 0 494.894 6.644 1 0 JKAFRN Cc1ccc2nc(Cl)c(/C=C3\c4ccccc4N(c4c(Cl)cccc4Cl)C3=O)cc2c1 ZINC000040409420 563140505 /nfs/dbraw/zinc/14/05/05/563140505.db2.gz VDMWUFZJBRWOBB-QGOAFFKASA-N 0 0 465.767 7.722 1 0 JKAFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCC2CC2)c1 ZINC000040410036 563140546 /nfs/dbraw/zinc/14/05/46/563140546.db2.gz XLXFHIMMQKILJI-UHFFFAOYSA-N 0 0 473.742 8.056 1 0 JKAFRN CCc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000040409758 563140548 /nfs/dbraw/zinc/14/05/48/563140548.db2.gz IKZPJQDTXSTDNW-UHFFFAOYSA-N 0 0 485.813 6.865 1 0 JKAFRN O=C1/C(=C/c2cc3ccccc3nc2Cl)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000040409499 563140555 /nfs/dbraw/zinc/14/05/55/563140555.db2.gz NRDDJNPFKYJZMG-GHRIWEEISA-N 0 0 451.740 7.414 1 0 JKAFRN Cc1ccc(NC(=O)CSc2snnc2-c2ccc(F)cc2F)c(Br)c1 ZINC000040410406 563140561 /nfs/dbraw/zinc/14/05/61/563140561.db2.gz ZHBWALUWELSVJB-UHFFFAOYSA-N 0 0 456.337 5.285 1 0 JKAFRN CC(C)c1[nH+]ccc2c1c(Sc1cc(Cl)c(Cl)cc1Cl)c1n2CC[C@@H]1CC(=O)[O-] ZINC000040410430 563140654 /nfs/dbraw/zinc/14/06/54/563140654.db2.gz VONICINKTYRBRJ-LLVKDONJSA-N 0 0 469.821 7.233 1 0 JKAFRN O=C(NCc1ccccc1)n1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1 ZINC000040411467 563140800 /nfs/dbraw/zinc/14/08/00/563140800.db2.gz YSLQIGGMCRBLER-UHFFFAOYSA-N 0 0 492.193 6.984 1 0 JKAFRN O=C(OC1CCCCC1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040412026 563140873 /nfs/dbraw/zinc/14/08/73/563140873.db2.gz FOIJCEMVBLGORY-UHFFFAOYSA-N 0 0 450.753 6.384 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccc(Cl)cc1CO ZINC000040412941 563141038 /nfs/dbraw/zinc/14/10/38/563141038.db2.gz MWKMYPWGQZYLTG-JOCHJYFZSA-N 0 0 451.010 6.517 1 0 JKAFRN O=C([O-])c1ccc(CC[N@@H+]2CCC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 ZINC000040420496 563141366 /nfs/dbraw/zinc/14/13/66/563141366.db2.gz FRDXADDOEBJNOD-VWLOTQADSA-N 0 0 483.568 5.951 1 0 JKAFRN C[C@H](Nc1nccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc(F)cc2)n1)c1ccccc1 ZINC000040421016 563141457 /nfs/dbraw/zinc/14/14/57/563141457.db2.gz LLGLPQHCTKPHSI-SFHVURJKSA-N 0 0 492.558 5.536 1 0 JKAFRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040422178 563141768 /nfs/dbraw/zinc/14/17/68/563141768.db2.gz APODVSVTRILENH-XVLYRZHCSA-N 0 0 470.738 7.322 1 0 JKAFRN COc1ccc(C(C(=O)NCCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000040422952 563142041 /nfs/dbraw/zinc/14/20/41/563142041.db2.gz TZGHYEXQRYLQBO-UHFFFAOYSA-N 0 0 451.566 5.397 1 0 JKAFRN O=C1O[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)C(c2ccc(O)cc2)C1=O ZINC000040422854 563142047 /nfs/dbraw/zinc/14/20/47/563142047.db2.gz FCJVJYDMQLZIRQ-GDLZYMKVSA-N 0 0 480.516 6.117 1 0 JKAFRN O=C1O[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)C(c2ccc(O)cc2)C1=O ZINC000040422856 563142051 /nfs/dbraw/zinc/14/20/51/563142051.db2.gz FCJVJYDMQLZIRQ-LJAQVGFWSA-N 0 0 480.516 6.117 1 0 JKAFRN CCO[C@H](Cc1ccc(OCC[N@H+]2CC=C(c3ccc(Cl)cc3Cl)CC2)cc1)C(=O)[O-] ZINC000040422963 563142072 /nfs/dbraw/zinc/14/20/72/563142072.db2.gz APDFSHNXNLFEDO-HSZRJFAPSA-N 0 0 464.389 5.194 1 0 JKAFRN CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCc1ccccc1 ZINC000040423048 563142147 /nfs/dbraw/zinc/14/21/47/563142147.db2.gz XSZYGLGNJXJNIU-HSZRJFAPSA-N 0 0 475.601 7.366 1 0 JKAFRN CC(C)c1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040423103 563142169 /nfs/dbraw/zinc/14/21/69/563142169.db2.gz JJZQJQKNDQFOJF-UHFFFAOYSA-N 0 0 489.834 7.970 1 0 JKAFRN O=C(OC[C@]1(CO)C/C(=C/c2cccc(C(F)(F)F)c2)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000040423636 563142500 /nfs/dbraw/zinc/14/25/00/563142500.db2.gz UOXJYJVVYINAHR-KBMSDVMXSA-N 0 0 496.481 5.142 1 0 JKAFRN COc1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)cc1-c1ccccc1 ZINC000040424431 563142827 /nfs/dbraw/zinc/14/28/27/563142827.db2.gz NCOVJSNPJPTUIE-UHFFFAOYSA-N 0 0 460.581 6.468 1 0 JKAFRN Cc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Oc1ccnc2[nH]c(=O)[nH]c21 ZINC000040429271 563143220 /nfs/dbraw/zinc/14/32/20/563143220.db2.gz XYLXTYJZHSXFMG-UHFFFAOYSA-N 0 0 477.830 5.668 1 0 JKAFRN Cc1c(C)c(Oc2ccnc3[nH]c(=O)[nH]c32)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040429277 563143278 /nfs/dbraw/zinc/14/32/78/563143278.db2.gz LSMOVPYBAZREFZ-UHFFFAOYSA-N 0 0 491.857 5.977 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccccc2-c2ccccc2)cc1-c1ccccc1 ZINC000040429880 563143462 /nfs/dbraw/zinc/14/34/62/563143462.db2.gz QQTHBHMIIXPWRY-UHFFFAOYSA-N 0 0 473.576 6.664 1 0 JKAFRN CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c32)ccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040429993 563143544 /nfs/dbraw/zinc/14/35/44/563143544.db2.gz FPWVNPNFDVYIEU-UHFFFAOYSA-N 0 0 475.452 5.428 1 0 JKAFRN COc1ccc(-c2c(C)c(C3=NC(=O)C(C)(C)N3C)nn2-c2ccc(Cl)cc2Cl)cc1 ZINC000040431393 563143808 /nfs/dbraw/zinc/14/38/08/563143808.db2.gz ZCJQDFTXOMJLCA-UHFFFAOYSA-N 0 0 457.361 5.160 1 0 JKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Cl)cc1 ZINC000040431318 563143836 /nfs/dbraw/zinc/14/38/36/563143836.db2.gz PBSMQDXHBLPHGO-UHFFFAOYSA-N 0 0 469.371 5.430 1 0 JKAFRN CC(C)[C@@H]1CC[C@]2(C(=O)[O-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H]([NH3+])C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040475084 563144382 /nfs/dbraw/zinc/14/43/82/563144382.db2.gz XMTFZSJHIAIMMS-FZFNOLFKSA-N 0 0 457.743 7.136 1 0 JKAFRN CCCC1=NN(C(=O)Nc2cccc(Cl)c2)C(CCC)=NN1C(=O)Nc1cccc(Cl)c1 ZINC000040504844 563144789 /nfs/dbraw/zinc/14/47/89/563144789.db2.gz UIUHJHKRVHKGNF-UHFFFAOYSA-N 0 0 475.380 6.602 1 0 JKAFRN CCCCN1C(c2ccc(O)cc2)N(CCCC)[C@@H](c2ccc(O)cc2)[C@@H]1c1ccc(O)cc1 ZINC000040519887 563145102 /nfs/dbraw/zinc/14/51/02/563145102.db2.gz MGRUMKDPYYICMD-NSOVKSMOSA-N 0 0 460.618 6.502 1 0 JKAFRN CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000040533537 563145201 /nfs/dbraw/zinc/14/52/01/563145201.db2.gz XCVCPTGTZPJJNH-RWRXXEOKSA-N 0 0 456.755 7.817 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3ccc(Br)cc3)cc2)C1=O ZINC000040556757 563145308 /nfs/dbraw/zinc/14/53/08/563145308.db2.gz GTFLIFNHZQEYRJ-HXUWFJFHSA-N 0 0 469.766 5.087 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1=O ZINC000040556735 563145317 /nfs/dbraw/zinc/14/53/17/563145317.db2.gz YIBSIHZUQZHRRF-FQEVSTJZSA-N 0 0 458.867 5.343 1 0 JKAFRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@H]2C[C@@H]2C(=O)NC2CCC2)cc1 ZINC000040563768 563145318 /nfs/dbraw/zinc/14/53/18/563145318.db2.gz WZZZWQOSRLMHRG-YADHBBJMSA-N 0 0 485.575 6.522 1 0 JKAFRN ClC1(Cl)[C@H]2[C@@H]1O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]2OCc1ccccc1 ZINC000040566781 563145764 /nfs/dbraw/zinc/14/57/64/563145764.db2.gz MLWOPDONKKNNFH-ACFIUOAZSA-N 0 0 499.434 5.945 1 0 JKAFRN COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1CC1CCCCC1 ZINC000040567079 563145934 /nfs/dbraw/zinc/14/59/34/563145934.db2.gz PHJLUFWDCARFEU-DHIUTWEWSA-N 0 0 457.567 5.261 1 0 JKAFRN Cn1c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2nc1N1CCCC1 ZINC000040567993 563146214 /nfs/dbraw/zinc/14/62/14/563146214.db2.gz HZSQILVFLHRBJH-UHFFFAOYSA-N 0 0 461.978 5.255 1 0 JKAFRN C[C@H](C[NH2+]CCCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040575484 563146378 /nfs/dbraw/zinc/14/63/78/563146378.db2.gz HAOYPHJRWFGZTK-VKCUQCJQSA-N 0 0 473.742 6.577 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1F ZINC000040576672 563146502 /nfs/dbraw/zinc/14/65/02/563146502.db2.gz DITNFKZKYVPGSO-UHFFFAOYSA-N 0 0 463.596 7.718 1 0 JKAFRN O=C(NCc1ccccc1Cl)N(c1ccc(F)cc1)c1ccnc(Nc2c(F)cccc2F)n1 ZINC000040762344 563147812 /nfs/dbraw/zinc/14/78/12/563147812.db2.gz ZBDQECINFRBAOB-UHFFFAOYSA-N 0 0 483.881 6.339 1 0 JKAFRN Cn1c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2nc1N1CCCC1 ZINC000040764205 563148124 /nfs/dbraw/zinc/14/81/24/563148124.db2.gz NAVULPDUKBWACV-UHFFFAOYSA-N 0 0 461.978 5.255 1 0 JKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3ccc(C)c(Br)c3)c1NC2 ZINC000040764302 563148210 /nfs/dbraw/zinc/14/82/10/563148210.db2.gz OYMNJBZYHVIAFZ-UHFFFAOYSA-N 0 0 473.396 5.693 1 0 JKAFRN CCCn1c2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2nc1N(C)C ZINC000040764304 563148263 /nfs/dbraw/zinc/14/82/63/563148263.db2.gz FZOVBXPXMLCZQB-UHFFFAOYSA-N 0 0 463.994 5.593 1 0 JKAFRN Cc1cc(Br)ccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000040767464 563148497 /nfs/dbraw/zinc/14/84/97/563148497.db2.gz ZJROKFPKJNUQCO-UHFFFAOYSA-N 0 0 493.810 5.488 1 0 JKAFRN CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccccc4o3)[C@H]2SC1 ZINC000040801600 563148592 /nfs/dbraw/zinc/14/85/92/563148592.db2.gz JEPCDYOZJRUNDI-ATIYNZHBSA-N 0 0 497.576 5.130 1 0 JKAFRN CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](Nc3nc4ccccc4o3)[C@@H]2SC1 ZINC000040801604 563148618 /nfs/dbraw/zinc/14/86/18/563148618.db2.gz JEPCDYOZJRUNDI-GJZUVCINSA-N 0 0 497.576 5.130 1 0 JKAFRN CN(C)c1ccc(C(=O)Nc2ncc(SCc3cccc(C(=O)Nc4ccccc4)c3)s2)cc1 ZINC000040812610 563148767 /nfs/dbraw/zinc/14/87/67/563148767.db2.gz JTGRBZUCDOIAAL-UHFFFAOYSA-N 0 0 488.638 6.006 1 0 JKAFRN O=C(NN1CCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000040836276 563149003 /nfs/dbraw/zinc/14/90/03/563149003.db2.gz VSSFZGBPUHYYRJ-UHFFFAOYSA-N 0 0 494.220 5.739 1 0 JKAFRN C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])c(OC3CCCCC3)c2)cc1)[NH2+]C[C@H](O)c1ccccc1 ZINC000040835655 563149024 /nfs/dbraw/zinc/14/90/24/563149024.db2.gz BTGYMCRAGAZJTI-PIKZIKFNSA-N 0 0 473.613 6.018 1 0 JKAFRN CC(C)COc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040835802 563149030 /nfs/dbraw/zinc/14/90/30/563149030.db2.gz OUWWRKZWXQFNTG-VWLOTQADSA-N 0 0 483.992 5.442 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)c3ccccc23)n1 ZINC000040846851 563149255 /nfs/dbraw/zinc/14/92/55/563149255.db2.gz VQRJYECHVOWPDV-UHFFFAOYSA-N 0 0 476.565 6.879 1 0 JKAFRN CC(C)OP(=O)(OC(C)C)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000040846644 563149285 /nfs/dbraw/zinc/14/92/85/563149285.db2.gz XTZCJKGANAITFV-BYUVYSIJSA-N 0 0 456.523 6.218 1 0 JKAFRN O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3cccnc3)c21 ZINC000040847643 563149451 /nfs/dbraw/zinc/14/94/51/563149451.db2.gz JQZLORUSKODADP-UHFFFAOYSA-N 0 0 495.535 5.272 1 0 JKAFRN Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2F)C[C@H]1N1CCc2ccccc2C1 ZINC000040848019 563149526 /nfs/dbraw/zinc/14/95/26/563149526.db2.gz PLTKXDGDWAWNKT-SANMLTNESA-N 0 0 470.523 5.927 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3)c3ccccc23)n1 ZINC000040848160 563149539 /nfs/dbraw/zinc/14/95/39/563149539.db2.gz GOEHHWWOYYPDII-UHFFFAOYSA-N 0 0 462.513 6.170 1 0 JKAFRN COC(=O)[C@@H]1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O ZINC000040849189 563149759 /nfs/dbraw/zinc/14/97/59/563149759.db2.gz ZTWQZGIOXRCDQP-DEOSSOPVSA-N 0 0 483.520 5.189 1 0 JKAFRN O=C(NC(=O)c1ccccc1)Nc1ccc(Sc2cccc(C(=O)NCc3ccccc3)c2)cc1 ZINC000040860853 563149991 /nfs/dbraw/zinc/14/99/91/563149991.db2.gz HHRLYQXKGMIVSQ-UHFFFAOYSA-N 0 0 481.577 5.730 1 0 JKAFRN Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)N3CCCCC3)c2)c1 ZINC000040860925 563149993 /nfs/dbraw/zinc/14/99/93/563149993.db2.gz PWFODDIPAXPLMJ-UHFFFAOYSA-N 0 0 456.973 7.282 1 0 JKAFRN Clc1cc(Cl)cc(-c2nn3c(nnc3-c3cc(Cl)cc(Cl)c3Cl)s2)c1 ZINC000040861243 563150093 /nfs/dbraw/zinc/15/00/93/563150093.db2.gz SXOAOWUZHWCNIP-UHFFFAOYSA-N 0 0 450.565 6.787 1 0 JKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(C(C)C)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040862128 563150222 /nfs/dbraw/zinc/15/02/22/563150222.db2.gz HHOVYYSFRMBKPP-CCEZHUSRSA-N 0 0 459.534 6.186 1 0 JKAFRN CCCCCC[C@H](Sc1nc(Cl)cc(NCCOc2ccccc2)n1)C(=O)OCC ZINC000040861876 563150249 /nfs/dbraw/zinc/15/02/49/563150249.db2.gz GMIXMWLEAGAFJC-SFHVURJKSA-N 0 0 452.020 5.615 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)OC(C)(C)[C@@H]1CC=C(C)CC1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040862586 563150299 /nfs/dbraw/zinc/15/02/99/563150299.db2.gz QFWADGLXGUFMMG-UBFVSLLYSA-N 0 0 494.716 8.418 1 0 JKAFRN COc1ccccc1Nc1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc43)ccc21 ZINC000040864048 563150649 /nfs/dbraw/zinc/15/06/49/563150649.db2.gz NDZVXPQPJNKPJT-UHFFFAOYSA-N 0 0 452.510 6.950 1 0 JKAFRN COc1ccc2c(c1)nccc2Oc1ccc(NC(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1F ZINC000040864408 563150805 /nfs/dbraw/zinc/15/08/05/563150805.db2.gz MINABFBKQMEGEQ-UHFFFAOYSA-N 0 0 498.514 5.225 1 0 JKAFRN CC1(C)C(c2nc3c(cccc3C(N)=O)[nH]2)=C(c2cccc3c4ccccc4oc32)C(C)(C)N1O ZINC000040865901 563151064 /nfs/dbraw/zinc/15/10/64/563151064.db2.gz GNHIBNRNGHOUND-UHFFFAOYSA-N 0 0 466.541 5.734 1 0 JKAFRN O=C(Nc1cccc(CCNc2ncnc3ccsc32)c1)Nc1cccc(C(F)(F)F)c1 ZINC000040866806 563151188 /nfs/dbraw/zinc/15/11/88/563151188.db2.gz KUBHVFMGAOITML-UHFFFAOYSA-N 0 0 457.481 6.009 1 0 JKAFRN CCCCOc1c(-c2c(C)cc(OC)c3c(OC)cccc23)ccc2c1[C@@H](C)N(C=O)[C@H](C)C2 ZINC000040867142 563151320 /nfs/dbraw/zinc/15/13/20/563151320.db2.gz BTPJYKACCXIUDW-WOJBJXKFSA-N 0 0 461.602 6.475 1 0 JKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCNC(=O)NCc1ccc(OC)c(O)c1 ZINC000040872453 563151404 /nfs/dbraw/zinc/15/14/04/563151404.db2.gz XQMNYXAQXAEGLE-ZKWNWVNESA-N 0 0 454.655 6.956 1 0 JKAFRN COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)c1 ZINC000040872381 563151413 /nfs/dbraw/zinc/15/14/13/563151413.db2.gz ZFSGGWJEQBBQLR-UHFFFAOYSA-N 0 0 454.317 6.333 1 0 JKAFRN COc1ccc(-c2nnc(-n3c(/C=C/c4ccc(Cl)cc4)nc4ccccc4c3=O)s2)cc1 ZINC000040873058 563151578 /nfs/dbraw/zinc/15/15/78/563151578.db2.gz CYEYKURRRNOWDM-OVCLIPMQSA-N 0 0 472.957 5.737 1 0 JKAFRN CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)CCC3)C(C)(C)C)c1O ZINC000040873236 563151618 /nfs/dbraw/zinc/15/16/18/563151618.db2.gz UOGQHRWLNXEODP-NRFANRHFSA-N 0 0 465.623 5.377 1 0 JKAFRN CCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000040873384 563151704 /nfs/dbraw/zinc/15/17/04/563151704.db2.gz HMGXPGMZAJUVKU-HSZRJFAPSA-N 0 0 463.453 6.688 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccc(Br)cc2)c2ccccc2Cl)CC1 ZINC000040874262 563151974 /nfs/dbraw/zinc/15/19/74/563151974.db2.gz POTQARLKMQWNDY-HSZRJFAPSA-N 0 0 490.873 5.852 1 0 JKAFRN O=C(Nc1ccc2ncn(Cc3ccc(Cl)cc3Cl)c(=O)c2c1)OCc1ccccc1 ZINC000040875169 563152218 /nfs/dbraw/zinc/15/22/18/563152218.db2.gz UVRMAHDLDQNMCR-UHFFFAOYSA-N 0 0 454.313 5.500 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(C(C)=O)cc4)cc32)cc1OC ZINC000040875256 563152232 /nfs/dbraw/zinc/15/22/32/563152232.db2.gz RXQJLPBOOIUIGP-UHFFFAOYSA-N 0 0 457.490 5.237 1 0 JKAFRN Cc1ccc(OCc2nnc(-c3cc(-c4cc(F)c(Cl)cc4Cl)nc4ccccc43)o2)cc1 ZINC000040875385 563152247 /nfs/dbraw/zinc/15/22/47/563152247.db2.gz CWYVLHZCXSNSNG-UHFFFAOYSA-N 0 0 480.326 7.285 1 0 JKAFRN CC(=O)[C@H](Cc1ccc(Cl)cc1)N(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2 ZINC000040875601 563152295 /nfs/dbraw/zinc/15/22/95/563152295.db2.gz PYWMCEZVCPXRBD-DEOSSOPVSA-N 0 0 498.044 5.883 1 0 JKAFRN CC[C@@H](C)c1c(=O)[nH]c(SCC(=O)c2ccc(OC)cc2)nc1Cc1c(F)cccc1Cl ZINC000040875587 563152333 /nfs/dbraw/zinc/15/23/33/563152333.db2.gz QMHOEAPWFQUWGY-CQSZACIVSA-N 0 0 474.985 5.650 1 0 JKAFRN COC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCCc1c[nH]c2ccccc12 ZINC000040877497 563152599 /nfs/dbraw/zinc/15/25/99/563152599.db2.gz ORLCIEGVIIQWMN-UHFFFAOYSA-N 0 0 496.592 5.280 1 0 JKAFRN FC(F)(F)c1cccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)c1 ZINC000040878330 563152671 /nfs/dbraw/zinc/15/26/71/563152671.db2.gz RCPQDJFMGCIOMK-UHFFFAOYSA-N 0 0 456.280 6.899 1 0 JKAFRN C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1C2 ZINC000040879544 563152745 /nfs/dbraw/zinc/15/27/45/563152745.db2.gz HHQJBWYXBWOFJY-SXKKXCELSA-N 0 0 454.695 6.684 1 0 JKAFRN FC(F)(F)c1ccccc1Nc1ncnc2sc(Nc3c(Cl)cccc3Cl)nc21 ZINC000040879413 563152769 /nfs/dbraw/zinc/15/27/69/563152769.db2.gz KVUPXNAMJMAVBS-UHFFFAOYSA-N 0 0 456.280 6.899 1 0 JKAFRN FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cn1 ZINC000040880352 563152912 /nfs/dbraw/zinc/15/29/12/563152912.db2.gz UKMFZHQUYINJAN-UHFFFAOYSA-N 0 0 457.268 6.294 1 0 JKAFRN C=COc1ccccc1-c1c(Br)c2cc(C)ccc2c(=O)n1Cc1ccc(OC)cc1 ZINC000040880720 563152920 /nfs/dbraw/zinc/15/29/20/563152920.db2.gz SBNAVFCARWKTSY-UHFFFAOYSA-N 0 0 476.370 6.319 1 0 JKAFRN FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ncccc4C(F)(F)F)nc32)cc1 ZINC000040891939 563153176 /nfs/dbraw/zinc/15/31/76/563153176.db2.gz GPEVMFKXCXRAMQ-UHFFFAOYSA-N 0 0 456.375 6.006 1 0 JKAFRN COc1ccc(-c2coc3ccc(-c4nnc(SCc5cccc(C(F)(F)F)c5)o4)cc32)cc1 ZINC000040893069 563153451 /nfs/dbraw/zinc/15/34/51/563153451.db2.gz KPFRWRFOYRGYFH-UHFFFAOYSA-N 0 0 482.483 7.470 1 0 JKAFRN Cc1ccccc1NC(=C[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2)C1 ZINC000040895382 563153794 /nfs/dbraw/zinc/15/37/94/563153794.db2.gz MQRFQLUMZYQACM-BUFPPZMGSA-N 0 0 491.979 5.727 1 0 JKAFRN COc1ccc(/C=C2\C[C@@](CO)(COC(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)OC2=O)cc1 ZINC000040895896 563153943 /nfs/dbraw/zinc/15/39/43/563153943.db2.gz GYKDPGRXKGXJRX-DHJRBFBSSA-N 0 0 494.628 5.984 1 0 JKAFRN CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@H](COC(=O)c1ccccc1)C4=O ZINC000040895872 563153952 /nfs/dbraw/zinc/15/39/52/563153952.db2.gz ZLXWCFDAXPBIKP-JDMQBIFRSA-N 0 0 480.645 6.005 1 0 JKAFRN Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CNc4ccccc43)CC2)nc1 ZINC000040896680 563153999 /nfs/dbraw/zinc/15/39/99/563153999.db2.gz YBCAQIYOMLXOOO-UHFFFAOYSA-N 0 0 481.625 5.608 1 0 JKAFRN CCCC(=O)OCc1ccc(OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 ZINC000040897272 563154177 /nfs/dbraw/zinc/15/41/77/563154177.db2.gz GDELUZOQMHQHNF-PFLGVXPYSA-N 0 0 476.657 7.967 1 0 JKAFRN Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1 ZINC000040898453 563154283 /nfs/dbraw/zinc/15/42/83/563154283.db2.gz MLEORHKLQVXXLG-UHFFFAOYSA-N 0 0 458.974 6.523 1 0 JKAFRN Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1 ZINC000040900303 563154628 /nfs/dbraw/zinc/15/46/28/563154628.db2.gz DDVUCDAKPMYAMU-UHFFFAOYSA-N 0 0 478.911 5.531 1 0 JKAFRN O=C(OCc1ccccc1)c1nnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040913915 563154985 /nfs/dbraw/zinc/15/49/85/563154985.db2.gz XZIICELFYOCPCX-UHFFFAOYSA-N 0 0 458.732 6.252 1 0 JKAFRN O=C(c1cc(Cl)cc(Cl)c1)N1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1=S ZINC000040914214 563155138 /nfs/dbraw/zinc/15/51/38/563155138.db2.gz PLGSMZBZWSPGIH-UHFFFAOYSA-N 0 0 462.185 5.573 1 0 JKAFRN CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1C)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040917195 563155837 /nfs/dbraw/zinc/15/58/37/563155837.db2.gz KSKKAGJLIDRMOT-VKAVYKQESA-N 0 0 494.447 6.901 1 0 JKAFRN CCCCCOc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040918374 563156283 /nfs/dbraw/zinc/15/62/83/563156283.db2.gz NTRJCUSZOJCBLX-UHFFFAOYSA-N 0 0 483.362 5.175 1 0 JKAFRN NNc1nc(=O)c2c(-c3ccc(Cl)cc3)c3c([nH]c-2n1)C(=Cc1ccc(Cl)cc1)CCC3 ZINC000040918427 563156291 /nfs/dbraw/zinc/15/62/91/563156291.db2.gz IOPYGMZAQMNLKJ-QINSGFPZSA-N 0 0 464.356 5.454 1 0 JKAFRN CC1(C)C[C@H]2C3=C[C@@H](O)[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@@]54C)[C@@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000040919175 563156573 /nfs/dbraw/zinc/15/65/73/563156573.db2.gz BSJXGLKBHBMAEV-RLTVPGJHSA-N 0 0 458.727 6.111 1 0 JKAFRN CSc1nc(-c2ccnc(NC[C@@H](C)c3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040933565 563156873 /nfs/dbraw/zinc/15/68/73/563156873.db2.gz BYIAYENVBGBGEU-MRXNPFEDSA-N 0 0 468.548 7.095 1 0 JKAFRN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C[C@H]1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000040933643 563156933 /nfs/dbraw/zinc/15/69/33/563156933.db2.gz JIPOFIWAMSCXGA-RUZDIDTESA-N 0 0 487.600 5.102 1 0 JKAFRN CCSC(=S)SCC(=O)c1ccc(-c2ccc(CNc3cnc4ccccc4c3)cn2)s1 ZINC000040934030 563157172 /nfs/dbraw/zinc/15/71/72/563157172.db2.gz KHMNQJIQFPCIRQ-UHFFFAOYSA-N 0 0 495.720 6.924 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1ccccc1C(F)(F)F ZINC000040934032 563157173 /nfs/dbraw/zinc/15/71/73/563157173.db2.gz AESSRSHXFGCUGF-OAQYLSRUSA-N 0 0 454.536 7.390 1 0 JKAFRN C[NH+](C)CCCN1CC[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@@H]21 ZINC000040934278 563157348 /nfs/dbraw/zinc/15/73/48/563157348.db2.gz VLXGRNUMGPFVST-MUAVYFROSA-N 0 0 485.672 6.383 1 0 JKAFRN O=C([O-])c1ccc(C[NH+]2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040934842 563157559 /nfs/dbraw/zinc/15/75/59/563157559.db2.gz FIPAIBNDQHRTCO-UHFFFAOYSA-N 0 0 469.541 5.909 1 0 JKAFRN CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1NCCNc1ccccc1 ZINC000040935883 563157822 /nfs/dbraw/zinc/15/78/22/563157822.db2.gz JNVYTLWNCSBPTE-UHFFFAOYSA-N 0 0 486.597 5.058 1 0 JKAFRN CN(C)CC[N@@H+]1CC[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@@H]21 ZINC000040936189 563157925 /nfs/dbraw/zinc/15/79/25/563157925.db2.gz VZDIJKIIPJBCSR-RBISFHTESA-N 0 0 471.645 5.992 1 0 JKAFRN CCCCOC(=O)Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1 ZINC000040936404 563158078 /nfs/dbraw/zinc/15/80/78/563158078.db2.gz JHYLDWFPNBXQGK-UHFFFAOYSA-N 0 0 473.187 6.569 1 0 JKAFRN O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040936855 563158131 /nfs/dbraw/zinc/15/81/31/563158131.db2.gz CFHZVZBMKAANEF-UHFFFAOYSA-N 0 0 456.007 5.925 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl ZINC000040939336 563158700 /nfs/dbraw/zinc/15/87/00/563158700.db2.gz VJBPKNVTOBHLKX-UHFFFAOYSA-N 0 0 498.241 6.592 1 0 JKAFRN CCCCCC(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040939649 563158806 /nfs/dbraw/zinc/15/88/06/563158806.db2.gz YXYBTDLDZVTMMN-UHFFFAOYSA-N 0 0 478.807 6.645 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000040940107 563158875 /nfs/dbraw/zinc/15/88/75/563158875.db2.gz BEYNWHLDVYDAND-QLWXXVCSSA-N 0 0 490.603 6.158 1 0 JKAFRN CCC(C)(C)C(=O)NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040943356 563159062 /nfs/dbraw/zinc/15/90/62/563159062.db2.gz ZFRKFUQSLCJDJI-UHFFFAOYSA-N 0 0 478.807 6.501 1 0 JKAFRN C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040949639 563159221 /nfs/dbraw/zinc/15/92/21/563159221.db2.gz FLQPTDVBDVSSED-WZONZLPQSA-N 0 0 464.585 5.285 1 0 JKAFRN CCO[C@H](Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)[O-] ZINC000040950276 563159395 /nfs/dbraw/zinc/15/93/95/563159395.db2.gz OBLLJVOXHWIASZ-XMMPIXPASA-N 0 0 477.523 5.296 1 0 JKAFRN CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=S)SCCN1CCOCC1 ZINC000040952069 563159826 /nfs/dbraw/zinc/15/98/26/563159826.db2.gz MYAXIGMVLGBAPJ-QFIPXVFZSA-N 0 0 498.636 5.498 1 0 JKAFRN C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040952440 563159898 /nfs/dbraw/zinc/15/98/98/563159898.db2.gz HIPOGZUVGXCTDI-YADARESESA-N 0 0 492.639 6.020 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(C)(C)C)c4)c4ccccc34)c21 ZINC000040952815 563160077 /nfs/dbraw/zinc/16/00/77/563160077.db2.gz DIKYFMVHLLRVPI-UHFFFAOYSA-N 0 0 481.556 6.149 1 0 JKAFRN CCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)cn1C ZINC000040953594 563160218 /nfs/dbraw/zinc/16/02/18/563160218.db2.gz XGVPZCSOSMHYMV-UHFFFAOYSA-N 0 0 456.638 5.146 1 0 JKAFRN O=C(O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000040956818 563161042 /nfs/dbraw/zinc/16/10/42/563161042.db2.gz FNUHIDLQWNAHCK-VCAJTDCCSA-N 0 0 468.634 6.210 1 0 JKAFRN Nc1cccc2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc12 ZINC000040957194 563161074 /nfs/dbraw/zinc/16/10/74/563161074.db2.gz FIBZMEVNEQEVJT-UHFFFAOYSA-N 0 0 472.854 6.926 1 0 JKAFRN CCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000040972276 563161187 /nfs/dbraw/zinc/16/11/87/563161187.db2.gz KXJBITWTAJKRFJ-PYTCHGMCSA-N 0 0 482.749 7.920 1 0 JKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)n1 ZINC000040972783 563161375 /nfs/dbraw/zinc/16/13/75/563161375.db2.gz XWRQRFRLQKTFJA-UHFFFAOYSA-N 0 0 456.937 6.411 1 0 JKAFRN CC(=O)Nc1ccccc1-c1cc(Cl)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1 ZINC000040973281 563161465 /nfs/dbraw/zinc/16/14/65/563161465.db2.gz QUYZXRAAIRZUEE-SFHVURJKSA-N 0 0 496.014 7.181 1 0 JKAFRN CCc1c(C2=NC(C)(C)C(=O)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040973514 563161514 /nfs/dbraw/zinc/16/15/14/563161514.db2.gz USNWJHORIWPSKG-UHFFFAOYSA-N 0 0 475.807 6.059 1 0 JKAFRN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)c2ccccc12 ZINC000040973472 563161519 /nfs/dbraw/zinc/16/15/19/563161519.db2.gz BNAKJUUCFCWEBP-UHFFFAOYSA-N 0 0 478.430 5.397 1 0 JKAFRN CCCC[NH+](CCCC)CCCCOc1cc([O-])c2c(=O)c(-c3ccc(O)cc3)coc2c1 ZINC000040973608 563161552 /nfs/dbraw/zinc/16/15/52/563161552.db2.gz MNEWERRRTDHMBQ-UHFFFAOYSA-N 0 0 453.579 5.932 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)c21 ZINC000040973927 563161640 /nfs/dbraw/zinc/16/16/40/563161640.db2.gz RATCYQKDLOBADC-UHFFFAOYSA-N 0 0 495.820 5.509 1 0 JKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(C(Cl)(Cl)Cl)cc1)c1ccccc1 ZINC000040974001 563161645 /nfs/dbraw/zinc/16/16/45/563161645.db2.gz IWPIBXPBEQILEN-AKCCUMBPSA-N 0 0 474.881 7.060 1 0 JKAFRN c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(-c2ccccc2)c(-c2ccccc2)c1 ZINC000040974064 563161653 /nfs/dbraw/zinc/16/16/53/563161653.db2.gz ATGURKONDCQYPU-UHFFFAOYSA-N 0 0 491.638 8.545 1 0 JKAFRN O=C1c2cc3ccccc3n2CCN1CCCCN1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000040975182 563161869 /nfs/dbraw/zinc/16/18/69/563161869.db2.gz XLZXIDKEIKKBGP-UHFFFAOYSA-N 0 0 471.432 5.006 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000040977301 563162241 /nfs/dbraw/zinc/16/22/41/563162241.db2.gz MNDCLIWVYAIYDM-UHFFFAOYSA-N 0 0 460.540 5.909 1 0 JKAFRN CCOC(=O)c1c2cc(O)c3ccccc3c2n(Cc2ccccc2)c1Cc1ccc(Cl)cc1 ZINC000042887465 563163271 /nfs/dbraw/zinc/16/32/71/563163271.db2.gz NFLNLUVIAALVQM-UHFFFAOYSA-N 0 0 469.968 6.969 1 0 JKAFRN COc1ccc(C(C(=O)NCCc2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000042887555 563163300 /nfs/dbraw/zinc/16/33/00/563163300.db2.gz IAUXMONHDHOAEN-UHFFFAOYSA-N 0 0 481.592 5.406 1 0 JKAFRN Cc1c(C(=O)NC(=O)C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000042887348 563163304 /nfs/dbraw/zinc/16/33/04/563163304.db2.gz KZPLHBOSKMQZGZ-UHFFFAOYSA-N 0 0 490.818 6.645 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000042887916 563163403 /nfs/dbraw/zinc/16/34/03/563163403.db2.gz FOWRQJBPBDHQLM-XMMPIXPASA-N 0 0 494.894 6.644 1 0 JKAFRN CCO[C@H](Cc1ccc(OCC[N@H+]2CC=C(c3cccc(Cl)c3Cl)CC2)cc1)C(=O)[O-] ZINC000042891782 563163616 /nfs/dbraw/zinc/16/36/16/563163616.db2.gz SSJHLUNKPQNOJW-JOCHJYFZSA-N 0 0 464.389 5.194 1 0 JKAFRN CC(C)Oc1ccc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)[O-] ZINC000042891812 563163685 /nfs/dbraw/zinc/16/36/85/563163685.db2.gz KRDKLBROXABSCR-DEOSSOPVSA-N 0 0 469.965 5.483 1 0 JKAFRN C[C@@H](c1ccccc1)N1CCc2c3cc(Br)ccc3[nH]c2-c2c(Cl)nccc21 ZINC000042965213 563163834 /nfs/dbraw/zinc/16/38/34/563163834.db2.gz NXADXZHBITZLSP-AWEZNQCLSA-N 0 0 452.783 6.770 1 0 JKAFRN CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2ccccc2)cc1 ZINC000043012230 563164164 /nfs/dbraw/zinc/16/41/64/563164164.db2.gz CVXDBXOPGFCWRM-MUUNZHRXSA-N 0 0 474.564 6.768 1 0 JKAFRN CC(=O)N1CCC[C@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(-c2ccccc2)cc1 ZINC000043012233 563164182 /nfs/dbraw/zinc/16/41/82/563164182.db2.gz CVXDBXOPGFCWRM-NDEPHWFRSA-N 0 0 474.564 6.768 1 0 JKAFRN C[C@H](Nc1cc(NC2CCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043013261 563164251 /nfs/dbraw/zinc/16/42/51/563164251.db2.gz PKEICHNUKAMOST-GAJHUEQPSA-N 0 0 499.884 7.074 1 0 JKAFRN COc1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1 ZINC000043013002 563164307 /nfs/dbraw/zinc/16/43/07/563164307.db2.gz MVXWXOCWDIHEQN-UHFFFAOYSA-N 0 0 473.532 6.031 1 0 JKAFRN CCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043013547 563164341 /nfs/dbraw/zinc/16/43/41/563164341.db2.gz HSJPGNLMRGVGIN-HRAATJIYSA-N 0 0 473.846 6.541 1 0 JKAFRN O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc32)c1)Nc1ccccc1Oc1ccccc1 ZINC000043014773 563164416 /nfs/dbraw/zinc/16/44/16/563164416.db2.gz WPCAMMJNSYIKTA-UHFFFAOYSA-N 0 0 486.531 7.926 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2C)c1 ZINC000043018187 563164716 /nfs/dbraw/zinc/16/47/16/563164716.db2.gz CIIPGJWPWFJSJQ-UHFFFAOYSA-N 0 0 468.435 5.153 1 0 JKAFRN CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)O[C@H](c1ccc3c(c1)C=CC(C)(C)O3)CC2=O ZINC000043019110 563164797 /nfs/dbraw/zinc/16/47/97/563164797.db2.gz SAZBMMMZQLNWMN-MHZLTWQESA-N 0 0 458.598 7.300 1 0 in-vitro JKAFRN CC(C)(C)C(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 ZINC000043019020 563164845 /nfs/dbraw/zinc/16/48/45/563164845.db2.gz BHHRBLRONYLABD-UHFFFAOYSA-N 0 0 467.919 5.306 1 0 JKAFRN FC(F)Oc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1OCC1CC1 ZINC000043021100 563164967 /nfs/dbraw/zinc/16/49/67/563164967.db2.gz LFZGKSILZCJTOF-UHFFFAOYSA-N 0 0 462.909 5.347 3 0 JKAFRN O=C(NC(=S)N1CCc2c1cccc2OCCCCCOc1ccc(Cl)cc1)c1ccoc1 ZINC000043023743 563165233 /nfs/dbraw/zinc/16/52/33/563165233.db2.gz FOZNAVLBRUQWGW-UHFFFAOYSA-N 0 0 485.005 5.639 1 0 JKAFRN CCCCOc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043025493 563165468 /nfs/dbraw/zinc/16/54/68/563165468.db2.gz FAPQASJFCNVTCU-HTAPYJJXSA-N 0 0 488.857 6.898 1 0 JKAFRN O=C(c1ccccc1)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1ccc(F)cc1 ZINC000043060908 563165702 /nfs/dbraw/zinc/16/57/02/563165702.db2.gz FZXYPRQEWNRMAC-AREMUKBSSA-N 0 0 478.527 6.534 1 0 JKAFRN Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Sc3nccn3C)c2n1 ZINC000043062951 563165891 /nfs/dbraw/zinc/16/58/91/563165891.db2.gz RJDPWRJPBCBSAD-UHFFFAOYSA-N 0 0 476.993 5.456 1 0 JKAFRN O=C(CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccncc1)C1CCCCC1 ZINC000043062330 563165918 /nfs/dbraw/zinc/16/59/18/563165918.db2.gz CIHIURCSRDKUSK-UHFFFAOYSA-N 0 0 464.997 5.377 1 0 JKAFRN O=c1c(NCC2CCOCC2)nc2ccc(-c3ccc(F)cc3)nc2n1CC1CCCCC1 ZINC000043065858 563165970 /nfs/dbraw/zinc/16/59/70/563165970.db2.gz CNWRBRXWZLSBCF-UHFFFAOYSA-N 0 0 450.558 5.016 1 0 JKAFRN Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1 ZINC000043063864 563165998 /nfs/dbraw/zinc/16/59/98/563165998.db2.gz WZYQJHUWLLZEDH-UHFFFAOYSA-N 0 0 457.581 5.274 1 0 JKAFRN O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1 ZINC000043067126 563166056 /nfs/dbraw/zinc/16/60/56/563166056.db2.gz AEUILRDAXLSTHQ-AZUAARDMSA-N 0 0 456.468 5.201 1 0 JKAFRN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1 ZINC000043067118 563166057 /nfs/dbraw/zinc/16/60/57/563166057.db2.gz AEUILRDAXLSTHQ-ICSRJNTNSA-N 0 0 456.468 5.201 1 0 JKAFRN NC(=S)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000043067448 563166138 /nfs/dbraw/zinc/16/61/38/563166138.db2.gz DUVAZFUOSBRTIF-JOCHJYFZSA-N 0 0 466.404 5.423 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000043068845 563166167 /nfs/dbraw/zinc/16/61/67/563166167.db2.gz CZTSQNOAVFMDAC-UHFFFAOYSA-N 0 0 469.423 5.236 1 0 JKAFRN Cc1ccc(C(=O)Nc2cccc(C(C)(C)C)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043077245 563166797 /nfs/dbraw/zinc/16/67/97/563166797.db2.gz VKDWJVVFVAOVSI-OUKQBFOZSA-N 0 0 466.589 5.887 1 0 JKAFRN CCN(C[C@](O)(CNc1cc(C)cc2c1cnn2-c1ccccc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043078734 563166893 /nfs/dbraw/zinc/16/68/93/563166893.db2.gz WCVGZXJEMCBFPA-AREMUKBSSA-N 0 0 496.533 5.202 1 0 JKAFRN O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(OCC(F)(F)F)nc1 ZINC000043080490 563167065 /nfs/dbraw/zinc/16/70/65/563167065.db2.gz WRWGDCFFHDPTMW-UHFFFAOYSA-N 0 0 450.407 5.253 1 0 JKAFRN C[C@H](Nc1cc(C2CCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043119885 563167266 /nfs/dbraw/zinc/16/72/66/563167266.db2.gz ZXDHVYYVCZAXCP-MHECFPHRSA-N 0 0 498.896 7.767 1 0 JKAFRN CCOC(=O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043120489 563167479 /nfs/dbraw/zinc/16/74/79/563167479.db2.gz AABAPQXESPRCSA-UHFFFAOYSA-N 0 0 453.420 5.449 1 0 JKAFRN Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1 ZINC000043122523 563167700 /nfs/dbraw/zinc/16/77/00/563167700.db2.gz QUNIRDORWCGMDO-UHFFFAOYSA-N 0 0 483.616 5.423 1 0 JKAFRN CC(C)CCC[C@@H](C)CCC[C@@H](C)CCN1c2cc(O)cc(O)c2Nc2c(O)cccc2C1=O ZINC000043128923 563167832 /nfs/dbraw/zinc/16/78/32/563167832.db2.gz DSCWMFCRNDMRKN-WOJBJXKFSA-N 0 0 468.638 7.166 1 0 JKAFRN COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000043136782 563167924 /nfs/dbraw/zinc/16/79/24/563167924.db2.gz MVKFAEXPUKMWIZ-FRHISXBHSA-N 0 0 486.737 6.581 1 0 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470.491 6.320 1 0 JKAFRN COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccc(-c5ccoc5)cc4)cc32)c1 ZINC000045254219 563182368 /nfs/dbraw/zinc/18/23/68/563182368.db2.gz XGDCETVOXKPROH-UHFFFAOYSA-N 0 0 499.548 5.179 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc3[nH]ccc3c2)c1 ZINC000045255207 563182528 /nfs/dbraw/zinc/18/25/28/563182528.db2.gz TVYZJHMOWIVHGK-UHFFFAOYSA-N 0 0 469.680 5.529 1 0 JKAFRN COc1ccc(/C=C/C(=O)Nc2cc(-c3c(-c4ccc(F)cc4)noc3C(C)C)ccn2)c(OC)c1 ZINC000045255769 563182629 /nfs/dbraw/zinc/18/26/29/563182629.db2.gz HSYSAQACEYOOEZ-XYOKQWHBSA-N 0 0 487.531 6.335 1 0 JKAFRN CCc1c(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)ncn1C(C)C ZINC000045255282 563182636 /nfs/dbraw/zinc/18/26/36/563182636.db2.gz XBXLBWDKYSNLTB-UHFFFAOYSA-N 0 0 473.835 7.815 1 0 JKAFRN Cc1ccc2c(c1)nc(N1CCCC1)nc2NCc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000045256025 563182727 /nfs/dbraw/zinc/18/27/27/563182727.db2.gz SWHPJPYLDRQPFW-UHFFFAOYSA-N 0 0 455.537 5.542 1 0 JKAFRN CC(C)(C)CCNc1c2cccc(C(F)(F)F)c2ncc1C1N=NC(=S)N1Cc1ccccc1 ZINC000045256034 563182731 /nfs/dbraw/zinc/18/27/31/563182731.db2.gz KBYMMRLFHUSQMR-UHFFFAOYSA-N 0 0 485.579 6.697 1 0 JKAFRN COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccc5ccccc54)cc32)c1 ZINC000045256827 563182771 /nfs/dbraw/zinc/18/27/71/563182771.db2.gz YPPIEAPELRLECA-UHFFFAOYSA-N 0 0 451.555 6.344 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccccc3-c3ccccc3)C2=S)c1 ZINC000045257942 563182868 /nfs/dbraw/zinc/18/28/68/563182868.db2.gz SRLRVRQYTRBGLS-UHFFFAOYSA-N 0 0 490.698 5.665 1 0 JKAFRN CC(C)(C)OC(=O)N(Cc1ccccc1)Cc1ccc(/C=C/C(=O)NO[C@@H]2CCCCO2)cc1 ZINC000045259433 563183064 /nfs/dbraw/zinc/18/30/64/563183064.db2.gz CKHHQVMROGOBLC-YFDWJFFGSA-N 0 0 466.578 5.212 1 0 JKAFRN Cc1ccc([C@H]2C3=C(c4ccccc4O[C@@H]3c3ccc(Br)cc3)N(C)c3ncnn32)cc1 ZINC000045259927 563183148 /nfs/dbraw/zinc/18/31/48/563183148.db2.gz XTOOFJKUOMSKAG-UKILVPOCSA-N 0 0 485.385 5.933 1 0 JKAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045260699 563183207 /nfs/dbraw/zinc/18/32/07/563183207.db2.gz GVVYZJLUZCRFEO-LJQANCHMSA-N 0 0 453.873 5.409 1 0 JKAFRN CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000045260375 563183221 /nfs/dbraw/zinc/18/32/21/563183221.db2.gz UYCFOXMDEJIFFX-UHFFFAOYSA-N 0 0 490.022 6.661 1 0 JKAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000045261603 563183260 /nfs/dbraw/zinc/18/32/60/563183260.db2.gz PAKITLSAGWEJME-IFMALSPDSA-N 0 0 491.599 5.713 1 0 JKAFRN Fc1cccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)c1 ZINC000045261138 563183298 /nfs/dbraw/zinc/18/32/98/563183298.db2.gz PPKWQLYROWRJEK-UHFFFAOYSA-N 0 0 457.456 6.340 1 0 JKAFRN Cc1ccc2c(ccnc2Nc2cccc(C(F)(F)F)c2)c1Nc1ncccc1-c1ccncn1 ZINC000045283620 563183449 /nfs/dbraw/zinc/18/34/49/563183449.db2.gz CCUWZTRFTGLQCV-UHFFFAOYSA-N 0 0 472.474 6.901 1 0 JKAFRN Cc1cccc(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1C(=O)[O-] ZINC000045284982 563183777 /nfs/dbraw/zinc/18/37/77/563183777.db2.gz AHGBQEZBFQECSL-UHFFFAOYSA-N 0 0 462.452 6.077 1 0 JKAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CSC(C)C)c1 ZINC000045285881 563183885 /nfs/dbraw/zinc/18/38/85/563183885.db2.gz IEULVGLOMJRLOZ-UHFFFAOYSA-N 0 0 459.418 5.698 1 0 JKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccc(Cl)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000045285875 563183895 /nfs/dbraw/zinc/18/38/95/563183895.db2.gz BETLOJLNXAUJQJ-ADCSMLMYSA-N 0 0 479.407 6.286 1 0 JKAFRN CC1=CCC[C@H]2[C@](C)(Cc3cc(O)cc(Sc4nc5ccccc5s4)c3O)[C@@H](C)CC[C@]12C ZINC000045287103 563184131 /nfs/dbraw/zinc/18/41/31/563184131.db2.gz YPIJUFYXFHJDPD-JWNPUDRZSA-N 0 0 479.711 8.200 1 0 JKAFRN COc1cc2c(cc1OC)-c1c(-c3cc(OC)c(OC)c(OC)c3)c(-c3ccc(O)cc3)cn1CC2 ZINC000045288391 563184450 /nfs/dbraw/zinc/18/44/50/563184450.db2.gz UGFNIFAEYMOTCN-UHFFFAOYSA-N 0 0 487.552 5.794 1 0 JKAFRN Cc1cc(C)c(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)c(C)c1 ZINC000045289222 563184563 /nfs/dbraw/zinc/18/45/63/563184563.db2.gz YURLPRLSPMKJEZ-UHFFFAOYSA-N 0 0 458.624 5.105 1 0 JKAFRN Cc1ccc(S(=O)(=O)Cc2nc3ccccc3c(Nc3cccc(Br)c3)n2)cc1 ZINC000045288757 563184578 /nfs/dbraw/zinc/18/45/78/563184578.db2.gz VCGHIFQDLAGLPR-UHFFFAOYSA-N 0 0 468.376 5.418 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(CCc2ccc(O)cc2)cc1 ZINC000045289330 563184700 /nfs/dbraw/zinc/18/47/00/563184700.db2.gz PGZFUFYKPUNVFR-UHFFFAOYSA-N 0 0 481.162 6.592 1 0 JKAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CSCc2ccco2)c1 ZINC000045290014 563184725 /nfs/dbraw/zinc/18/47/25/563184725.db2.gz UQQVZCOLDSPUHG-UHFFFAOYSA-N 0 0 497.423 6.082 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045298557 563185195 /nfs/dbraw/zinc/18/51/95/563185195.db2.gz PJUMPOPUQYKBRD-UHFFFAOYSA-N 0 0 494.569 6.934 1 0 JKAFRN CC(C)c1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045298628 563185200 /nfs/dbraw/zinc/18/52/00/563185200.db2.gz BAURQNHXTWBIAA-UHFFFAOYSA-N 0 0 490.506 6.892 1 0 JKAFRN CC(C)c1ccc(COc2cc(NC(=O)C3CCCCC3)ccc2N(C)S(C)(=O)=O)cc1 ZINC000045299230 563185286 /nfs/dbraw/zinc/18/52/86/563185286.db2.gz QVSPUHIHYLVHNK-UHFFFAOYSA-N 0 0 458.624 5.304 1 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)s1)c1ccnn1-c1ccccc1 ZINC000045299571 563185349 /nfs/dbraw/zinc/18/53/49/563185349.db2.gz MGWGKJQFLHRGES-SFHVURJKSA-N 0 0 458.436 5.696 1 0 JKAFRN Cc1ccc(C(c2c[nH]c3ccc(Br)cc32)c2c[nH]c3ccc(Br)cc32)cc1 ZINC000045300289 563185472 /nfs/dbraw/zinc/18/54/72/563185472.db2.gz UAFKYLNETRPHGK-UHFFFAOYSA-N 0 0 494.230 7.663 1 0 JKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000045300620 563185567 /nfs/dbraw/zinc/18/55/67/563185567.db2.gz DESXTNMKVHYOKR-XGNGOHRNSA-N 0 0 488.631 6.738 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(CCc2ccccc2)cc1 ZINC000045300840 563185677 /nfs/dbraw/zinc/18/56/77/563185677.db2.gz JTLNPSPMAIAAEY-UHFFFAOYSA-N 0 0 465.163 6.886 1 0 JKAFRN COC1CCC(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)CC1 ZINC000045301462 563185796 /nfs/dbraw/zinc/18/57/96/563185796.db2.gz ZOMHJBSMKRZDJF-UHFFFAOYSA-N 0 0 493.529 7.059 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c2cc1OC ZINC000045302037 563186064 /nfs/dbraw/zinc/18/60/64/563186064.db2.gz COIDQICNPUDKBR-UHFFFAOYSA-N 0 0 493.563 6.549 1 0 JKAFRN Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(N)cc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045302328 563186217 /nfs/dbraw/zinc/18/62/17/563186217.db2.gz RKGAVLOAHXTSQG-UHFFFAOYSA-N 0 0 477.467 5.659 1 0 JKAFRN Cc1c(-c2cn(C3CCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045302799 563186704 /nfs/dbraw/zinc/18/67/04/563186704.db2.gz MLCNCVBBXLTIHF-UHFFFAOYSA-N 0 0 457.792 7.396 1 0 JKAFRN O=C(Nc1ccsc1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045302911 563186808 /nfs/dbraw/zinc/18/68/08/563186808.db2.gz TWRZNSILNCJCCP-UHFFFAOYSA-N 0 0 478.499 7.621 1 0 JKAFRN O=C(NC1CCCCCC1)[C@H]1CCCN(C(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045302838 563186818 /nfs/dbraw/zinc/18/68/18/563186818.db2.gz YHTURCARKOQYFX-IBGZPJMESA-N 0 0 489.443 6.057 1 0 JKAFRN O=C(NC1CCCCCC1)[C@@H]1CCCN(C(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045302839 563186833 /nfs/dbraw/zinc/18/68/33/563186833.db2.gz YHTURCARKOQYFX-LJQANCHMSA-N 0 0 489.443 6.057 1 0 JKAFRN Fc1cccc(Nc2nc(NCc3ccc(Cl)c(Cl)c3)nc(Nc3cccc(F)c3)n2)c1 ZINC000045302956 563186954 /nfs/dbraw/zinc/18/69/54/563186954.db2.gz WRQQVWIACWQWOM-UHFFFAOYSA-N 0 0 473.314 6.556 1 0 JKAFRN Oc1ccc(CN2CCN(CCO[C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000045303189 563187070 /nfs/dbraw/zinc/18/70/70/563187070.db2.gz UBXVYUXOWSLMBF-SANMLTNESA-N 0 0 471.428 5.623 1 0 JKAFRN O=C(Nc1ccccc1)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045303226 563187180 /nfs/dbraw/zinc/18/71/80/563187180.db2.gz HEINLGGJOHAVOF-UHFFFAOYSA-N 0 0 472.470 7.560 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(C(=O)NCc5ccccc5S(C)(=O)=O)cc4)c3)nc21 ZINC000045303195 563187225 /nfs/dbraw/zinc/18/72/25/563187225.db2.gz STIZRVWACXJEOH-UHFFFAOYSA-N 0 0 495.604 5.539 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4cccc5ccccc54)cc32)cc1OC 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563194748 /nfs/dbraw/zinc/19/47/48/563194748.db2.gz AEORKEIKSMCFSB-UHFFFAOYSA-N 0 0 474.504 5.565 1 0 JKAFRN CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(OCc2ccc(S(C)(=O)=O)cc2)c1 ZINC000045388307 563194796 /nfs/dbraw/zinc/19/47/96/563194796.db2.gz MWOBQZUUALFLOE-UHFFFAOYSA-N 0 0 488.531 6.126 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045388782 563194849 /nfs/dbraw/zinc/19/48/49/563194849.db2.gz LADJRPDOKVCQCG-REWPJTCUSA-N 0 0 471.363 5.982 1 0 JKAFRN O=C(NC(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000045389714 563194918 /nfs/dbraw/zinc/19/49/18/563194918.db2.gz UZBVUMAEAIQRKF-PMERELPUSA-N 0 0 496.054 6.546 1 0 JKAFRN CC(C)=CCc1cc(/C=C/C(=O)OCCc2ccccc2)ccc1OC(=O)CCc1ccccc1 ZINC000045391468 563195084 /nfs/dbraw/zinc/19/50/84/563195084.db2.gz XICKYSABTKMMPD-KNTRCKAVSA-N 0 0 468.593 6.533 1 0 JKAFRN O=C1NC(=O)[C@H](Cc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)c3ccccc23)S1 ZINC000045392630 563195289 /nfs/dbraw/zinc/19/52/89/563195289.db2.gz 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462.553 5.596 1 0 JKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094968 717140924 /nfs/dbraw/zinc/14/09/24/717140924.db2.gz MJPIXACTUMSGGI-QCPTUIHWSA-O 0 0 474.706 6.781 1 0 in-vitro JKAFRN CC(C)=CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000013298276 290683992 /nfs/dbraw/zinc/68/39/92/290683992.db2.gz BQPPJGMMIYJVBR-KMDRULEYSA-N 0 0 468.766 9.050 3 0 biogenic,in-vitro JKAFRN CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000082157267 290693219 /nfs/dbraw/zinc/69/32/19/290693219.db2.gz WKIUWXJRQZRPNJ-HCBDOCHMSA-N 0 0 458.727 6.277 1 0 biogenic,in-vitro JKAFRN C/C=C(\C)C(=O)OC(C)(C)[C@]1(C2(c3ccc(N)nc3)CCCC2)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594687 291551943 /nfs/dbraw/zinc/55/19/43/291551943.db2.gz FCNYQYKNIKXXSR-YXXIACDASA-N 0 0 488.584 5.244 1 0 biogenic,in-vitro JKAFRN 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ZINC000013441719 562963495 /nfs/dbraw/zinc/96/34/95/562963495.db2.gz MQRQHSIBCDMNQB-LFCNWEHWSA-N 0 0 489.454 5.068 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2cccc(NC(=O)NC(C)(C)C)c2)cc1OC1CCCC1 ZINC000013442039 562963503 /nfs/dbraw/zinc/96/35/03/562963503.db2.gz ZJQKZGNVEFZUMR-AREMUKBSSA-N 0 0 487.644 6.706 1 0 JKAFRN O=C(Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(Cc1ccccc1)C2)C1CC1 ZINC000013442721 562963703 /nfs/dbraw/zinc/96/37/03/562963703.db2.gz HGSHFTBMBNMKRS-UHFFFAOYSA-N 0 0 450.991 5.539 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C1CCCCC1 ZINC000013446284 562964265 /nfs/dbraw/zinc/96/42/65/562964265.db2.gz PANCOFAQARSQHI-BJKOFHAPSA-N 0 0 455.639 5.498 1 0 in-vitro JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 ZINC000013447065 562964369 /nfs/dbraw/zinc/96/43/69/562964369.db2.gz XCPYSVOYIFJBJJ-HHHXNRCGSA-N 0 0 476.665 6.418 1 0 JKAFRN C[C@H](CCc1nccn1C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000013447476 562964379 /nfs/dbraw/zinc/96/43/79/562964379.db2.gz ISBKHZNCKMNSDC-GIICLEHTSA-N 0 0 452.727 7.099 1 0 JKAFRN CCCc1c(OCCCc2cc3c(cc2O)C[C@H](CCc2ccccc2)O3)ccc(C(C)=O)c1O ZINC000013453339 562964902 /nfs/dbraw/zinc/96/49/02/562964902.db2.gz SJONRTDCBUYMFS-DEOSSOPVSA-N 0 0 474.597 6.201 1 0 JKAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)NCCc1ccccc1 ZINC000013454588 562964911 /nfs/dbraw/zinc/96/49/11/562964911.db2.gz QANHFWCJJLKZFE-MBQDQUTCSA-N 0 0 499.655 5.523 1 0 JKAFRN COC(=O)N[C@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471191 562965477 /nfs/dbraw/zinc/96/54/77/562965477.db2.gz JXAAATVXBZVTFP-QFIPXVFZSA-N 0 0 482.502 6.065 1 0 JKAFRN Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H](NS(C)(=O)=O)CC3)c1-c1ccc(Cl)cc1 ZINC000013471316 562965549 /nfs/dbraw/zinc/96/55/49/562965549.db2.gz CHLMMQSHPOCAPQ-QFIPXVFZSA-N 0 0 483.033 5.364 1 0 JKAFRN CCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(-c3ccco3)nc21 ZINC000013472348 562965859 /nfs/dbraw/zinc/96/58/59/562965859.db2.gz UBPNPYAOHJXLLA-UHFFFAOYSA-N 0 0 471.308 5.095 1 0 JKAFRN CC(=O)O[C@H](C(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1 ZINC000013472553 562965917 /nfs/dbraw/zinc/96/59/17/562965917.db2.gz KIOGINCNKQGBMK-SANMLTNESA-N 0 0 452.466 5.090 1 0 JKAFRN COc1cc(C(=O)Oc2ccc3[nH]c(C(=O)c4cc5ccccc5[nH]4)cc3c2)cc(OC)c1OC ZINC000013472558 562965988 /nfs/dbraw/zinc/96/59/88/562965988.db2.gz HIQHTLZZJVBOPI-UHFFFAOYSA-N 0 0 470.481 5.125 1 0 JKAFRN CC[C@@H](C)c1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1 ZINC000013472866 562966087 /nfs/dbraw/zinc/96/60/87/562966087.db2.gz OPMDTRSKQCBHDD-GOSISDBHSA-N 0 0 451.014 6.145 1 0 JKAFRN COc1ccc2c(c1)sc(-c1ccc(OC)c(O)c1)c2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013474203 562966689 /nfs/dbraw/zinc/96/66/89/562966689.db2.gz GGRHSLQJYQUKGH-UHFFFAOYSA-N 0 0 480.538 5.548 1 0 JKAFRN CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@H]1O3 ZINC000013474856 562966879 /nfs/dbraw/zinc/96/68/79/562966879.db2.gz PUYDWHDEVFRQHJ-HHHXNRCGSA-N 0 0 462.590 5.925 1 0 JKAFRN O=C(NCCCCc1ccccc1)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000013478555 562967259 /nfs/dbraw/zinc/96/72/59/562967259.db2.gz SCIDQPDXTAHHPD-IBGZPJMESA-N 0 0 458.402 5.356 3 0 JKAFRN COC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487104 562967629 /nfs/dbraw/zinc/96/76/29/562967629.db2.gz SXZFFUZSAWXDPZ-UHFFFAOYSA-N 0 0 495.284 6.827 1 0 JKAFRN O=C(Nc1c(O)cccc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487489 562967853 /nfs/dbraw/zinc/96/78/53/562967853.db2.gz JZFBVCHXLWYIEA-UHFFFAOYSA-N 0 0 457.338 6.418 1 0 JKAFRN COc1c(Br)csc1C(=O)Nc1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000013487512 562967860 /nfs/dbraw/zinc/96/78/60/562967860.db2.gz FMLKMTBLJXHVRO-UHFFFAOYSA-N 0 0 479.783 5.986 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 ZINC000013487942 562967997 /nfs/dbraw/zinc/96/79/97/562967997.db2.gz OIOWQZHYLNNEAS-UHFFFAOYSA-N 0 0 471.560 6.680 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487971 562968013 /nfs/dbraw/zinc/96/80/13/562968013.db2.gz KVVNILHEEWTMAQ-MUUNZHRXSA-N 0 0 476.536 5.514 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000013487979 562968059 /nfs/dbraw/zinc/96/80/59/562968059.db2.gz DBPFEQBWBBWGBL-GDLZYMKVSA-N 0 0 474.564 5.721 1 0 JKAFRN O=c1c2ccc([O-])cc2oc(Sc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000013489429 562968661 /nfs/dbraw/zinc/96/86/61/562968661.db2.gz BKBITAUNCXXODJ-UHFFFAOYSA-N 0 0 489.593 5.887 1 0 JKAFRN O=c1c2ccc([O-])cc2oc(Oc2ccc(OCC[NH+]3CCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000013489430 562968698 /nfs/dbraw/zinc/96/86/98/562968698.db2.gz IXFDLQUPUPGSAZ-UHFFFAOYSA-N 0 0 473.525 5.528 1 0 JKAFRN CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(OCC2CCCC2)cc1 ZINC000013490305 562969236 /nfs/dbraw/zinc/96/92/36/562969236.db2.gz PNKXLJDDFHZRNW-SANMLTNESA-N 0 0 490.648 5.110 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)C(=C(c1ccccc1)c1ccccc1)Oc1ccc(F)cc1-3 ZINC000013490435 562969241 /nfs/dbraw/zinc/96/92/41/562969241.db2.gz CCKHGNOZDLOOKV-UHFFFAOYSA-N 0 0 459.564 8.409 1 0 JKAFRN O[C@@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490890 562969328 /nfs/dbraw/zinc/96/93/28/562969328.db2.gz STUPFEVEXRNAEM-NRFANRHFSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@@H](CN(Cc1ccc(OC(F)(F)F)cc1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490894 562969340 /nfs/dbraw/zinc/96/93/40/562969340.db2.gz WVHGQUDCKQUUBX-NRFANRHFSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@@H](CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000013490892 562969354 /nfs/dbraw/zinc/96/93/54/562969354.db2.gz RSMDAIDLRPIOSW-NRFANRHFSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@H](CN(Cc1cccc(OCC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490903 562969418 /nfs/dbraw/zinc/96/94/18/562969418.db2.gz FVBBAHNTBILOOJ-JOCHJYFZSA-N 0 0 485.424 6.350 1 0 JKAFRN CC(C)(C)Oc1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000013490907 562969430 /nfs/dbraw/zinc/96/94/30/562969430.db2.gz KUHXSXNKGUUNBT-DEOSSOPVSA-N 0 0 459.508 6.586 1 0 JKAFRN O=C1CCC(c2c(-c3ccc(F)cc3Cl)nc3ccccn32)=NN1c1c(Cl)cccc1Cl ZINC000013493042 562970161 /nfs/dbraw/zinc/97/01/61/562970161.db2.gz HEYLBNKMXMMHAM-UHFFFAOYSA-N 0 0 487.749 6.632 1 0 JKAFRN O=C1CCC(c2c(-c3ccc(F)cc3Cl)nc3ccccn32)=NN1c1ccccc1Cl ZINC000013493046 562970169 /nfs/dbraw/zinc/97/01/69/562970169.db2.gz ACYIZUWARCOLDC-UHFFFAOYSA-N 0 0 453.304 5.978 1 0 JKAFRN O=c1ccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn32)nn1-c1ccccc1Cl ZINC000013493049 562970179 /nfs/dbraw/zinc/97/01/79/562970179.db2.gz YCRCLCNSLNULHH-UHFFFAOYSA-N 0 0 466.850 5.886 1 0 JKAFRN O=C1CCC(c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn32)=NN1c1ccccc1Cl ZINC000013493048 562970192 /nfs/dbraw/zinc/97/01/92/562970192.db2.gz UFQWDBJBCMEQBX-UHFFFAOYSA-N 0 0 468.866 6.205 1 0 JKAFRN Cc1cccc(CNC(=O)OCc2ccccc2)c1-c1c(C)cccc1C(=O)NCCC(C)C ZINC000013493175 562970270 /nfs/dbraw/zinc/97/02/70/562970270.db2.gz NXHASLZZJWBYOB-UHFFFAOYSA-N 0 0 458.602 6.173 1 0 JKAFRN Nc1ccccc1NC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000013493391 562970290 /nfs/dbraw/zinc/97/02/90/562970290.db2.gz YFTBUWATCGNTPJ-XDHOZWIPSA-N 0 0 469.566 5.389 1 0 JKAFRN Nc1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000013493396 562970293 /nfs/dbraw/zinc/97/02/93/562970293.db2.gz CSSVMHPMCABDCZ-XDHOZWIPSA-N 0 0 469.566 5.389 1 0 JKAFRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000013517570 562970590 /nfs/dbraw/zinc/97/05/90/562970590.db2.gz STONVWCTAJNPLZ-DOFZRALJSA-N 0 0 495.798 9.484 1 0 JKAFRN C[C@H](Nc1cc(-c2nc(SCc3ccccc3)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1 ZINC000013524474 562971367 /nfs/dbraw/zinc/97/13/67/562971367.db2.gz KMUBMDDTMBDGJK-FQEVSTJZSA-N 0 0 480.612 7.743 1 0 JKAFRN COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 ZINC000013527339 562971732 /nfs/dbraw/zinc/97/17/32/562971732.db2.gz JETRJUTXVVSGTR-UHFFFAOYSA-N 0 0 495.715 5.476 1 0 JKAFRN O=C(NCc1ccncc1)c1cc(NS(=O)(=O)Cc2ccccc2)ccc1Sc1ccccc1 ZINC000013527391 562971767 /nfs/dbraw/zinc/97/17/67/562971767.db2.gz VRSFUZBVJMNUTQ-UHFFFAOYSA-N 0 0 489.622 5.105 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000013528839 562971971 /nfs/dbraw/zinc/97/19/71/562971971.db2.gz DJYBHPSZFUFPSG-UHFFFAOYSA-N 0 0 458.949 6.035 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000013528848 562971992 /nfs/dbraw/zinc/97/19/92/562971992.db2.gz DPDIVGZIOZSXON-UHFFFAOYSA-N 0 0 492.501 6.400 1 0 JKAFRN CC(C)CCOCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530109 562972135 /nfs/dbraw/zinc/97/21/35/562972135.db2.gz GLCJLYWOHAQONH-UHFFFAOYSA-N 0 0 468.597 5.554 1 0 JKAFRN O=S(=O)(Nc1cc2c(Cl)n[nH]c2c(NCCc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000013531379 562972231 /nfs/dbraw/zinc/97/22/31/562972231.db2.gz GHYKPPIAOGBKBN-UHFFFAOYSA-N 0 0 461.374 5.325 1 0 JKAFRN COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc21 ZINC000013532187 562972314 /nfs/dbraw/zinc/97/23/14/562972314.db2.gz AQDLQNVRLVJCSR-UHFFFAOYSA-N 0 0 482.605 6.659 1 0 JKAFRN CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 ZINC000013534525 562972522 /nfs/dbraw/zinc/97/25/22/562972522.db2.gz OTTCZZGJYAWECY-UHFFFAOYSA-N 0 0 451.526 5.348 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(CN4CCOCC4)n3)sc2c1 ZINC000013536597 562972763 /nfs/dbraw/zinc/97/27/63/562972763.db2.gz JLLIWLGVLORBKA-UHFFFAOYSA-N 0 0 494.020 5.481 1 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](O)C=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545520 562973163 /nfs/dbraw/zinc/97/31/63/562973163.db2.gz LOBOMSGBFMNHBJ-FVNQTRMWSA-N 0 0 458.727 6.112 3 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H](O)C=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545518 562973176 /nfs/dbraw/zinc/97/31/76/562973176.db2.gz LOBOMSGBFMNHBJ-WQKJAEIBSA-N 0 0 458.727 6.112 3 0 JKAFRN O=C([O-])[C@H](Cc1ccccc1)[N@H+](Cc1cccc(Br)c1)Cc1ccc(Cl)cc1Cl ZINC000013553343 562973252 /nfs/dbraw/zinc/97/32/52/562973252.db2.gz LLJKKBFAUZGPRS-QFIPXVFZSA-N 0 0 493.228 6.454 1 0 JKAFRN COc1ccc(C(=O)Nc2c(Br)cncc2Br)cc1OC1CCCC1 ZINC000013736995 562985938 /nfs/dbraw/zinc/98/59/38/562985938.db2.gz JTUAQMRYAHBNPP-UHFFFAOYSA-N 0 0 470.161 5.189 1 0 JKAFRN CCCCC1(CCCC)[C@H](O)[C@H](c2ccc(OC)cc2)c2cc(N(C)C)ccc2S(=O)(=O)N1C ZINC000013553983 562973499 /nfs/dbraw/zinc/97/34/99/562973499.db2.gz ZCJMAJYQZWBZMJ-CLJLJLNGSA-N 0 0 488.694 5.007 1 0 JKAFRN O[C@H]([C@@H](Cc1ccccc1)OCc1ccccc1)[C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1 ZINC000013553784 562973507 /nfs/dbraw/zinc/97/35/07/562973507.db2.gz UCGMCPKWNDAGPA-SEVDZJIVSA-N 0 0 482.620 5.364 1 0 JKAFRN COP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OC ZINC000013556754 562973779 /nfs/dbraw/zinc/97/37/79/562973779.db2.gz AWYXUJDDVDQOSO-XMMPIXPASA-N 0 0 487.558 6.330 1 0 JKAFRN COP(=O)(OC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556740 562973788 /nfs/dbraw/zinc/97/37/88/562973788.db2.gz FGTHGJYGNQICNP-HSZRJFAPSA-N 0 0 473.531 5.455 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)CS2)cc1)OCC ZINC000013556779 562973807 /nfs/dbraw/zinc/97/38/07/562973807.db2.gz WMWLGPAUAXHKGN-OAQYLSRUSA-N 0 0 481.938 5.585 1 0 JKAFRN CN(c1ccc2c(/C=C/c3ccc4cc(Cl)ccc4n3)cccc2c1)S(=O)(=O)C(F)(F)F ZINC000013560088 562975206 /nfs/dbraw/zinc/97/52/06/562975206.db2.gz APXFDAWLCQPEAD-VMPITWQZSA-N 0 0 476.907 6.498 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cc(Cl)ccc2[nH]c1-c1ccccc1 ZINC000013560059 562975213 /nfs/dbraw/zinc/97/52/13/562975213.db2.gz ADCRXAHEWLERII-UHFFFAOYSA-N 0 0 467.053 7.660 1 0 JKAFRN COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c(=O)o2)cc1 ZINC000013581312 562975789 /nfs/dbraw/zinc/97/57/89/562975789.db2.gz PRKFAYYSPVLICT-UHFFFAOYSA-N 0 0 450.487 5.192 1 0 JKAFRN Cc1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584246 562976202 /nfs/dbraw/zinc/97/62/02/562976202.db2.gz JCZHZSQAEMZHAT-HXUWFJFHSA-N 0 0 465.178 5.897 1 0 JKAFRN COc1cnc2n1[C@@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584255 562976225 /nfs/dbraw/zinc/97/62/25/562976225.db2.gz HHDURAOHKSUNTC-FQEVSTJZSA-N 0 0 481.177 5.597 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12 ZINC000013585197 562976264 /nfs/dbraw/zinc/97/62/64/562976264.db2.gz CVBCPFYFIGQTLV-UHFFFAOYSA-N 0 0 463.752 5.236 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12 ZINC000013585173 562976274 /nfs/dbraw/zinc/97/62/74/562976274.db2.gz JNWVFIUTIMINMS-UHFFFAOYSA-N 0 0 462.768 5.113 1 0 JKAFRN COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)c(C)c4)n3)c2)CCOCC1 ZINC000013585670 562976313 /nfs/dbraw/zinc/97/63/13/562976313.db2.gz ZLVGYQMTSKBKPJ-UHFFFAOYSA-N 0 0 486.587 6.526 1 0 JKAFRN COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(F)cc4)n3)c2)CCOCC1 ZINC000013585660 562976365 /nfs/dbraw/zinc/97/63/65/562976365.db2.gz DQHZKUGKKUSQEY-UHFFFAOYSA-N 0 0 476.523 6.049 1 0 JKAFRN CSc1nc2c(c(Br)c(Br)c(Br)c2Br)n1C ZINC000013585912 562976433 /nfs/dbraw/zinc/97/64/33/562976433.db2.gz LBZMSDXKCKOZSH-UHFFFAOYSA-N 0 0 493.844 5.345 1 0 JKAFRN CC(C)Nc1nc2c([nH]1)c(Br)c(Br)c(Br)c2Br ZINC000013585896 562976457 /nfs/dbraw/zinc/97/64/57/562976457.db2.gz CDJQUXBTHFJZGZ-UHFFFAOYSA-N 0 0 490.819 5.433 1 0 JKAFRN O=C1NCc2nc(SCc3ccc(F)cc3F)ccc2N1c1c(Cl)cccc1Cl ZINC000013587259 562977044 /nfs/dbraw/zinc/97/70/44/562977044.db2.gz HVNHAKRCQUQQHO-UHFFFAOYSA-N 0 0 452.313 6.320 1 0 JKAFRN Cn1cncc1[C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587819 562977333 /nfs/dbraw/zinc/97/73/33/562977333.db2.gz JZRFTYGHLKQOLR-MHZLTWQESA-N 0 0 474.391 6.426 1 0 JKAFRN CCCC[C@H](NC(=O)OC(C1CCCC1)C1CCCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589448 562977936 /nfs/dbraw/zinc/97/79/36/562977936.db2.gz NTOSGCKNZBUEQK-XXBNENTESA-N 0 0 456.627 5.467 1 0 JKAFRN CCCC[C@H](NC(=O)O[C@H](CCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589439 562977982 /nfs/dbraw/zinc/97/79/82/562977982.db2.gz AHUOWLUGBWTBSI-IEZKXTBUSA-N 0 0 480.649 5.765 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(C(=O)Nc4cccnc4)c3)cc2)no1 ZINC000013589525 562978054 /nfs/dbraw/zinc/97/80/54/562978054.db2.gz LBFBEPBPULBGRR-UHFFFAOYSA-N 0 0 471.517 6.056 1 0 JKAFRN CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1 ZINC000013589526 562978101 /nfs/dbraw/zinc/97/81/01/562978101.db2.gz CGFGJVMEGKQFPL-UHFFFAOYSA-N 0 0 463.843 6.155 1 0 JKAFRN CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2)ccn1 ZINC000013589534 562978127 /nfs/dbraw/zinc/97/81/27/562978127.db2.gz OBRXWZRFHKQFNQ-UHFFFAOYSA-N 0 0 474.439 5.295 1 0 JKAFRN c1ccc(C2N3Cc4cc(Cc5cccnc5)ccc4N2Cc2cc(Cc4cccnc4)ccc23)cc1 ZINC000013600180 562978240 /nfs/dbraw/zinc/97/82/40/562978240.db2.gz GFEUXWLPPICGAN-UHFFFAOYSA-N 0 0 480.615 6.697 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600962 562978253 /nfs/dbraw/zinc/97/82/53/562978253.db2.gz UUFVXGWFKPXCOY-NDEPHWFRSA-N 0 0 485.734 7.320 1 0 JKAFRN CCCCN(C)C(=O)CCS[C@@H](Cc1ccc(OCc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000013600973 562978257 /nfs/dbraw/zinc/97/82/57/562978257.db2.gz SQZXHJQGRFNSPD-LJAQVGFWSA-N 0 0 491.697 6.940 1 0 JKAFRN CC(C)(C)CCN1C(=O)N(CCC(C)(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013604430 562978604 /nfs/dbraw/zinc/97/86/04/562978604.db2.gz VYSKDMAUVBQCBE-VIJSPRBVSA-N 0 0 494.720 5.541 1 0 JKAFRN O=C1N(Cc2ccccc2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000013605821 562978742 /nfs/dbraw/zinc/97/87/42/562978742.db2.gz DZTSJPNBPICINL-XWHIBYANSA-N 0 0 490.647 6.098 1 0 JKAFRN CCOC(=O)[C@H]1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cn23)C1 ZINC000013607383 562978923 /nfs/dbraw/zinc/97/89/23/562978923.db2.gz BGLJZGMDUTWQNZ-HNNXBMFYSA-N 0 0 494.806 5.306 1 0 JKAFRN CCCN(CCC)C(=O)[C@@H](C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607409 562978933 /nfs/dbraw/zinc/97/89/33/562978933.db2.gz CTQFEYSDQWQZTD-AWEZNQCLSA-N 0 0 452.813 6.714 1 0 JKAFRN CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)c1ccccc1 ZINC000013607347 562978947 /nfs/dbraw/zinc/97/89/47/562978947.db2.gz AZKBPBNCLYXTHL-UHFFFAOYSA-N 0 0 486.830 7.337 1 0 JKAFRN 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WDJAMFCUZITORN-UHFFFAOYSA-N 0 0 451.361 6.029 1 0 JKAFRN O=C(CCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1)N1CCCCC1 ZINC000013648425 562980908 /nfs/dbraw/zinc/98/09/08/562980908.db2.gz XHUDKIDUXNJFIC-UHFFFAOYSA-N 0 0 450.974 5.140 1 0 JKAFRN COc1ccc([C@]2(c3ccc(OCc4ccccc4)cc3)[C@@H](c3ccccc3)C2(Cl)Cl)cc1 ZINC000013649366 562980943 /nfs/dbraw/zinc/98/09/43/562980943.db2.gz DQHGXAXZEFSZII-IZLXSDGUSA-N 0 0 475.415 7.532 1 0 JKAFRN O[C@H](COc1cccc2cnccc21)CN1CCN(c2ccccc2SCc2ccccc2)CC1 ZINC000013651238 562981584 /nfs/dbraw/zinc/98/15/84/562981584.db2.gz SMTBNCZFHSUCJQ-VWLOTQADSA-N 0 0 485.653 5.089 1 0 JKAFRN O[C@@H](COc1cccc2cnccc21)CN1CCN(c2ccccc2SCc2ccccc2)CC1 ZINC000013651237 562981596 /nfs/dbraw/zinc/98/15/96/562981596.db2.gz SMTBNCZFHSUCJQ-RUZDIDTESA-N 0 0 485.653 5.089 1 0 JKAFRN C[C@@H]1Cc2cc(O)c(F)cc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\I)[C@H]12 ZINC000013651622 562981681 /nfs/dbraw/zinc/98/16/81/562981681.db2.gz TUGURFJMWCLAPD-YEPYHVIXSA-N 0 0 456.339 5.313 1 0 JKAFRN CCCC(CCC)N1CCn2c(=O)n(-c3ccc(C(C)C)cc3Br)c3nc(C)cc1c32 ZINC000013652916 562981876 /nfs/dbraw/zinc/98/18/76/562981876.db2.gz JQXNCTRWJBQSDE-UHFFFAOYSA-N 0 0 485.470 6.170 1 0 JKAFRN CC(C)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660531 562982166 /nfs/dbraw/zinc/98/21/66/562982166.db2.gz ZFHYPDNSKNVPNM-VWLOTQADSA-N 0 0 487.383 5.149 3 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(-c4ccc(N(C)C)cc4)cc3F)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013661849 562982396 /nfs/dbraw/zinc/98/23/96/562982396.db2.gz OGOYFYBJGOZDCJ-SZOMIKIBSA-N 0 0 454.589 6.471 3 0 JKAFRN COC(=O)c1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661933 562982461 /nfs/dbraw/zinc/98/24/61/562982461.db2.gz BZJZORSWXAMUTC-UAWBZUDJSA-N 0 0 469.556 6.191 3 0 JKAFRN COc1ccc(-c2cc3ccccc3s2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661968 562982485 /nfs/dbraw/zinc/98/24/85/562982485.db2.gz OAFLRAUVICLSCY-MJQKZAJVSA-N 0 0 479.645 7.489 3 0 JKAFRN O=c1n(-c2ccccc2)nc2c(NCC(c3ccccc3)c3ccccc3)nc3ccccc3n12 ZINC000013672088 562982677 /nfs/dbraw/zinc/98/26/77/562982677.db2.gz DGGBTTQRSUZHEO-UHFFFAOYSA-N 0 0 457.537 5.277 1 0 JKAFRN O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn21 ZINC000013672041 562982716 /nfs/dbraw/zinc/98/27/16/562982716.db2.gz PARJXHXDPQTXJY-UHFFFAOYSA-N 0 0 498.934 5.274 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OC)cc2)[C@H]1O ZINC000013672995 562982802 /nfs/dbraw/zinc/98/28/02/562982802.db2.gz YYHTVXUCKQXZTF-CLJLJLNGSA-N 0 0 473.679 5.408 1 0 JKAFRN CCCCCCNc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](O)[C@](CC)(CCCC)CS2(=O)=O ZINC000013672956 562982804 /nfs/dbraw/zinc/98/28/04/562982804.db2.gz JFUWHXRFYNRIHP-JCYYIGJDSA-N 0 0 471.707 6.546 1 0 JKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000013673637 562982949 /nfs/dbraw/zinc/98/29/49/562982949.db2.gz QOKKLGWZLSTDCY-UHFFFAOYSA-N 0 0 454.353 5.655 1 0 JKAFRN Cc1cccc(NC(=O)c2nc(-c3ccccc3C)[nH]c2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000013674701 562983104 /nfs/dbraw/zinc/98/31/04/562983104.db2.gz YLZZONBASATAGJ-UHFFFAOYSA-N 0 0 453.630 7.095 1 0 JKAFRN Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2 ZINC000013676083 562983365 /nfs/dbraw/zinc/98/33/65/562983365.db2.gz AGUIPKPCEPDNQT-UHFFFAOYSA-N 0 0 455.389 5.384 1 0 JKAFRN O=C([O-])CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000013678641 562983798 /nfs/dbraw/zinc/98/37/98/562983798.db2.gz BAHBDPWIXMBTRC-PTYIDMFESA-N 0 0 495.704 6.656 1 0 JKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@@]21C ZINC000013686840 562984403 /nfs/dbraw/zinc/98/44/03/562984403.db2.gz MBXSPMOLIYZPJV-HGZCTZTPSA-N 0 0 460.699 5.457 1 0 JKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000013728701 562985050 /nfs/dbraw/zinc/98/50/50/562985050.db2.gz AHXIYECOLPSDEQ-UHFFFAOYSA-N 0 0 475.474 6.242 1 0 JKAFRN CC(C)(C)c1cc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc(C(C)(C)C)c1O ZINC000013732217 562985306 /nfs/dbraw/zinc/98/53/06/562985306.db2.gz YYRWFTLKOLBAPB-UHFFFAOYSA-N 0 0 472.581 5.887 1 0 JKAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(Nc3ccccc3)c2)C1=O ZINC000013732934 562985566 /nfs/dbraw/zinc/98/55/66/562985566.db2.gz PBDYWZQYCKEXIQ-HHHXNRCGSA-N 0 0 475.552 5.392 1 0 JKAFRN O=C(Nc1c(Cl)cccc1Cl)[C@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735102 562985756 /nfs/dbraw/zinc/98/57/56/562985756.db2.gz UEMGXUASYJHCFA-IBGZPJMESA-N 0 0 463.158 6.419 1 0 JKAFRN CCN(CC)c1ccc(Nc2cc3c(cc2Nc2ccc(N(CC)CC)cc2)C(=O)NC3=O)cc1 ZINC000013735551 562985849 /nfs/dbraw/zinc/98/58/49/562985849.db2.gz ZIUKVZLABPRJTA-UHFFFAOYSA-N 0 0 471.605 5.750 1 0 JKAFRN Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1cc(Br)ccc1CO2 ZINC000013735299 562985861 /nfs/dbraw/zinc/98/58/61/562985861.db2.gz UWSQAFFBAMETQS-SANMLTNESA-N 0 0 492.457 7.667 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2C(F)(F)F)CCCC1 ZINC000013736863 562985910 /nfs/dbraw/zinc/98/59/10/562985910.db2.gz NKORAYXECOPIKO-UHFFFAOYSA-N 0 0 489.626 7.652 1 0 JKAFRN CC[C@@]1(CCCc2ccccc2)C(=O)N(c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccccc1 ZINC000013737033 562985966 /nfs/dbraw/zinc/98/59/66/562985966.db2.gz DAYZPZNGHCSPDD-PXJZQJOASA-N 0 0 459.586 6.220 1 0 JKAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000013736233 562985968 /nfs/dbraw/zinc/98/59/68/562985968.db2.gz MDUAYQWGTRXARJ-QHCPKHFHSA-N 0 0 466.459 5.271 1 0 JKAFRN COc1ccc(C(=O)N[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737182 562986014 /nfs/dbraw/zinc/98/60/14/562986014.db2.gz YKTYLLDFBHXSBT-SANMLTNESA-N 0 0 473.617 6.235 1 0 JKAFRN COc1ccc(C(=O)N[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737184 562986021 /nfs/dbraw/zinc/98/60/21/562986021.db2.gz YKTYLLDFBHXSBT-AREMUKBSSA-N 0 0 473.617 6.235 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000013737199 562986023 /nfs/dbraw/zinc/98/60/23/562986023.db2.gz BZQUDOMFVKTGJL-MUUNZHRXSA-N 0 0 494.639 6.774 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccccc1 ZINC000013737208 562986039 /nfs/dbraw/zinc/98/60/39/562986039.db2.gz HQQCOTMSQSYLFC-HHHXNRCGSA-N 0 0 482.628 6.708 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](CNC(=O)c1ccccn1)c1ccccc1 ZINC000013737220 562986043 /nfs/dbraw/zinc/98/60/43/562986043.db2.gz CPKWAHZFDTVKBO-JOCHJYFZSA-N 0 0 458.606 5.664 1 0 JKAFRN CCCC(CCC)(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)NC(=O)c1ccc(OC)cc1 ZINC000013737238 562986125 /nfs/dbraw/zinc/98/61/25/562986125.db2.gz LZJQSEIHTGWMSO-UHFFFAOYSA-N 0 0 481.681 6.833 1 0 JKAFRN COc1ccc(C(OCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000013737899 562986333 /nfs/dbraw/zinc/98/63/33/562986333.db2.gz WEZHDKFNVQTVJF-XMMPIXPASA-N 0 0 473.613 5.417 1 0 JKAFRN O=C(NCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(F)cc1F ZINC000013738829 562986547 /nfs/dbraw/zinc/98/65/47/562986547.db2.gz NBXPABCRKXOEDO-UHFFFAOYSA-N 0 0 492.595 7.106 1 0 JKAFRN Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(Cl)c1)C[C@@H]2C(C)C ZINC000013739687 562986639 /nfs/dbraw/zinc/98/66/39/562986639.db2.gz JMFXHOKUYGTFJU-FGZHOGPDSA-N 0 0 499.055 5.230 1 0 JKAFRN O=C1O[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740647 562986806 /nfs/dbraw/zinc/98/68/06/562986806.db2.gz JPUMLQVRNXWYSA-QGZVFWFLSA-N 0 0 456.342 5.296 1 0 JKAFRN O=C1C[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013740645 562986895 /nfs/dbraw/zinc/98/68/95/562986895.db2.gz UCCMAXPLSJKRBQ-ZDUSSCGKSA-N 0 0 454.370 5.323 1 0 JKAFRN COc1ccc(CC2=C(c3ccc(Cl)c(Cl)c3)C(=O)O[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000013740973 562987046 /nfs/dbraw/zinc/98/70/46/562987046.db2.gz RYEVVTBWAHSOKY-RUZDIDTESA-N 0 0 471.336 5.409 1 0 JKAFRN O=C([O-])c1cc(=O)c2ccc(OCCC[NH+]3CCC(=C(c4ccccc4)c4ccccc4)CC3)cc2o1 ZINC000013741947 562987101 /nfs/dbraw/zinc/98/71/01/562987101.db2.gz DXPLHZUBUDBCSM-UHFFFAOYSA-N 0 0 495.575 5.858 1 0 JKAFRN O=C([O-])c1cc(=O)c2cc(OCCC[NH+]3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2o1 ZINC000013741948 562987154 /nfs/dbraw/zinc/98/71/54/562987154.db2.gz KUMUDHNTTQIMEP-UHFFFAOYSA-N 0 0 495.575 5.858 1 0 JKAFRN CCC(=O)c1cnc2c(OCCCNc3nccs3)cccc2c1Nc1c(C)cccc1C ZINC000013742247 562987234 /nfs/dbraw/zinc/98/72/34/562987234.db2.gz DGKGZGAFFFQFKL-UHFFFAOYSA-N 0 0 460.603 6.525 1 0 JKAFRN CCCCc1nc(-c2cccc(OC)n2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742400 562987381 /nfs/dbraw/zinc/98/73/81/562987381.db2.gz GEWMNFWXKMZGFU-UHFFFAOYSA-N 0 0 465.561 5.192 1 0 JKAFRN Cn1c(=O)c2ccccc2c(-c2ccccc2)c1COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013742636 562987448 /nfs/dbraw/zinc/98/74/48/562987448.db2.gz VUMATGNDCCCSSB-UHFFFAOYSA-N 0 0 491.431 6.960 1 0 JKAFRN CCCCCCOc1ccc(CCCC(C)(C)C(=O)Nc2c(OC)ccc3c2OCCC3=O)cc1 ZINC000013742729 562987576 /nfs/dbraw/zinc/98/75/76/562987576.db2.gz KWSZYEJWMRMZEF-UHFFFAOYSA-N 0 0 481.633 6.607 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000013742760 562987578 /nfs/dbraw/zinc/98/75/78/562987578.db2.gz SIQMJDUHKSDIAM-PVIFSWJOSA-N 0 0 468.641 6.206 1 0 JKAFRN Cc1nc2cnccc2n1-c1ccc(C2=Nc3c(-c4ccc(Cl)cc4)nn(C)c3N(C)C(=O)C2)cc1 ZINC000013743180 562987664 /nfs/dbraw/zinc/98/76/64/562987664.db2.gz XXGYTUBVAKXMAQ-UHFFFAOYSA-N 0 0 495.974 5.270 1 0 JKAFRN Clc1ccc([C@H](c2ccccc2)N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 ZINC000013755938 562988537 /nfs/dbraw/zinc/98/85/37/562988537.db2.gz DFXLNCRNORESIF-DEOSSOPVSA-N 0 0 459.018 6.114 1 0 JKAFRN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3c[nH]cn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757040 562988762 /nfs/dbraw/zinc/98/87/62/562988762.db2.gz ZTMDGDHDXPIEIO-VXKWHMMOSA-N 0 0 483.456 6.370 1 0 JKAFRN CC(C)(C)NC(=O)c1ccccc1SC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756940 562988816 /nfs/dbraw/zinc/98/88/16/562988816.db2.gz DPXOXISAOYTUJS-OAQYLSRUSA-N 0 0 492.685 5.592 1 0 JKAFRN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3cocn3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757036 562988835 /nfs/dbraw/zinc/98/88/35/562988835.db2.gz FNWYNXVBSUEUGT-VXKWHMMOSA-N 0 0 484.440 6.635 1 0 JKAFRN CCOC(=O)CN(C)[C@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757991 562988935 /nfs/dbraw/zinc/98/89/35/562988935.db2.gz INIACONCMFFDIC-SANMLTNESA-N 0 0 499.611 5.224 1 0 JKAFRN Cn1nnnc1-c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759162 562989166 /nfs/dbraw/zinc/98/91/66/562989166.db2.gz HRQJRAWSJUAERQ-UHFFFAOYSA-N 0 0 492.579 5.274 1 0 JKAFRN CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl ZINC000013759881 562989316 /nfs/dbraw/zinc/98/93/16/562989316.db2.gz WFGBGZAXGDXPNU-UHFFFAOYSA-N 0 0 467.191 5.218 1 0 JKAFRN COc1c(C(=O)NCCN2CC=C(c3ccccc3)CC2)cc(Br)c2ccccc21 ZINC000013761272 562989897 /nfs/dbraw/zinc/98/98/97/562989897.db2.gz CHTNXCMFJLBVKP-UHFFFAOYSA-N 0 0 465.391 5.130 1 0 JKAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000013761526 562990060 /nfs/dbraw/zinc/99/00/60/562990060.db2.gz PSQUTAPWIOSUQU-HKBQPEDESA-N 0 0 492.527 5.489 1 0 JKAFRN CS(=O)(=O)c1ccc(-n2cc(CSc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000013762168 562990300 /nfs/dbraw/zinc/99/03/00/562990300.db2.gz PNCYQEPCKYNHPP-UHFFFAOYSA-N 0 0 489.449 6.542 1 0 JKAFRN Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@H]2Cn2ccnc2)c(Cl)c1 ZINC000013775802 562990686 /nfs/dbraw/zinc/99/06/86/562990686.db2.gz AGWSGJRKEVNFSN-PKOBYXMFSA-N 0 0 460.213 6.929 1 0 JKAFRN Brc1cc(Br)c2c(c1)Oc1cc(Br)cc(Br)c1O2 ZINC000013776255 562990887 /nfs/dbraw/zinc/99/08/87/562990887.db2.gz XQDUOAUBGVDINZ-UHFFFAOYSA-N 0 0 499.778 6.635 1 0 JKAFRN C[C@@H]1CCCC[C@@H]1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776537 562990929 /nfs/dbraw/zinc/99/09/29/562990929.db2.gz KPCQGKBAMIZDQX-LUIOJBQTSA-N 0 0 491.676 5.715 1 0 JKAFRN CCc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(=O)N(C)C ZINC000013776641 562990984 /nfs/dbraw/zinc/99/09/84/562990984.db2.gz YUIVXGXDQDPZKD-UHFFFAOYSA-N 0 0 465.557 5.066 1 0 JKAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3c2cccc3-c2ccc(F)cc2)cc1 ZINC000013776713 562991048 /nfs/dbraw/zinc/99/10/48/562991048.db2.gz ZGWFFDRVSAPEOY-UHFFFAOYSA-N 0 0 460.512 6.306 1 0 JKAFRN CC(C)Oc1cccc(-n2c(NC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 ZINC000013779136 562991416 /nfs/dbraw/zinc/99/14/16/562991416.db2.gz HHODLUFPEKGTHC-UHFFFAOYSA-N 0 0 493.361 5.579 1 0 JKAFRN FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc32)cc(C(F)(F)F)c1 ZINC000013779310 562991432 /nfs/dbraw/zinc/99/14/32/562991432.db2.gz VLTBSMKQQCTCOJ-UHFFFAOYSA-N 0 0 492.044 7.192 1 0 JKAFRN C[C@@]12CCN(Cc3ccccc3)[C@@H]1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000013779936 562991686 /nfs/dbraw/zinc/99/16/86/562991686.db2.gz WWDUYDXEHWHZTJ-BHYZAODMSA-N 0 0 489.619 6.807 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl ZINC000013780025 562991695 /nfs/dbraw/zinc/99/16/95/562991695.db2.gz MGZAEJXRAJXGQL-UHFFFAOYSA-N 0 0 494.353 6.395 1 0 JKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2ccsc2)cc1)C1CCCCCC1 ZINC000013779967 562991748 /nfs/dbraw/zinc/99/17/48/562991748.db2.gz CDWWAWASJXYBHD-UHFFFAOYSA-N 0 0 458.549 7.589 1 0 JKAFRN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1C(=S)NCc1ccccc1Cl ZINC000013780781 562991865 /nfs/dbraw/zinc/99/18/65/562991865.db2.gz LILPVLVPPHPZEE-QHCPKHFHSA-N 0 0 464.034 5.085 1 0 JKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)NN3CCCCC3)cc1OC2(C)C ZINC000013781727 562992290 /nfs/dbraw/zinc/99/22/90/562992290.db2.gz FTLPTJWZFJAXOT-DHIUTWEWSA-N 0 0 468.682 6.358 1 0 JKAFRN FC(F)(F)c1cc(COCC2(c3ccccc3)CCN(Cc3nc[nH]n3)CC2)cc(C(F)(F)F)c1 ZINC000013781991 562992365 /nfs/dbraw/zinc/99/23/65/562992365.db2.gz BLCJVLIDZWMARY-UHFFFAOYSA-N 0 0 498.471 5.593 1 0 JKAFRN CCOC(=O)OC[C@@H]1O[C@H](c2ccc(C(C)=O)cc2)C=C[C@@H]1Oc1ccc(-c2ccccc2)cc1 ZINC000013783142 562992792 /nfs/dbraw/zinc/99/27/92/562992792.db2.gz AARGZYDWUFPUGG-KCHLEUMXSA-N 0 0 472.537 6.173 1 0 JKAFRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@@H]2C1(C)C ZINC000013783634 562992841 /nfs/dbraw/zinc/99/28/41/562992841.db2.gz UMRPOGLIBDXFNK-HFFYFNHQSA-N 0 0 468.766 8.740 1 0 JKAFRN COC[C@H](Cc1ccccc1)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794806 562992954 /nfs/dbraw/zinc/99/29/54/562992954.db2.gz OJRQEHDWICWRRZ-IBGZPJMESA-N 0 0 495.425 5.074 1 0 JKAFRN COCCN(CCOC)c1cc(C)nc2c1nc(C)n2-c1ccc(C(C)C)cc1Br ZINC000013795060 562993008 /nfs/dbraw/zinc/99/30/08/562993008.db2.gz SVHOVDAJIXTJRP-UHFFFAOYSA-N 0 0 475.431 5.022 1 0 JKAFRN CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1ccc(Br)cc1Br ZINC000013795022 562993062 /nfs/dbraw/zinc/99/30/62/562993062.db2.gz FMUGNCSNUDORFS-UHFFFAOYSA-N 0 0 482.224 5.425 1 0 JKAFRN CC(C)CNC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798720 562993588 /nfs/dbraw/zinc/99/35/88/562993588.db2.gz FOWARTUXXZEGFO-RUZDIDTESA-N 0 0 499.615 5.134 1 0 JKAFRN O=C(c1ccccc1OC(F)(F)F)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccncc3)cc2C1 ZINC000013803079 562994613 /nfs/dbraw/zinc/99/46/13/562994613.db2.gz YBROKHNFEQXGSA-UHFFFAOYSA-N 0 0 493.489 5.033 1 0 JKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3ccccc3)cc(-c3cccnc3)c1)CC2 ZINC000013806169 562995089 /nfs/dbraw/zinc/99/50/89/562995089.db2.gz AQKLFYUGEBTKMZ-UHFFFAOYSA-N 0 0 489.497 7.038 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)NCc1ccc(C(C)=O)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809395 562995629 /nfs/dbraw/zinc/99/56/29/562995629.db2.gz VIGBCJCJCWDLPD-UHFFFAOYSA-N 0 0 488.971 5.362 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)N(C)CCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809385 562995668 /nfs/dbraw/zinc/99/56/68/562995668.db2.gz JADIYQKOFRIHPW-UHFFFAOYSA-N 0 0 474.988 5.544 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)Nc1ncc(C)s1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809419 562995767 /nfs/dbraw/zinc/99/57/67/562995767.db2.gz BVVWKCGVVHVCQE-UHFFFAOYSA-N 0 0 453.951 5.246 1 0 JKAFRN C[C@H]1Cc2c(c3c(nc2-c2ccccc2)CCN(C(=O)NCCc2c[nH]c4ccccc24)C3)CO1 ZINC000013817630 562996842 /nfs/dbraw/zinc/99/68/42/562996842.db2.gz LDXKMRSIHKNEPF-IBGZPJMESA-N 0 0 466.585 5.002 1 0 JKAFRN COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)c2ccco2)CC3)c(C)c1 ZINC000013817568 562996853 /nfs/dbraw/zinc/99/68/53/562996853.db2.gz FZEFMUKKMXTVQA-MUUNZHRXSA-N 0 0 480.564 5.671 1 0 JKAFRN CC(C)CC[NH2+]Cc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000013818754 562996971 /nfs/dbraw/zinc/99/69/71/562996971.db2.gz WVPBLVXFXOYONK-SANMLTNESA-N 0 0 479.020 5.568 1 0 JKAFRN CSc1cccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1 ZINC000013821540 562997678 /nfs/dbraw/zinc/99/76/78/562997678.db2.gz XJBQPLVDRXCKGC-UHFFFAOYSA-N 0 0 490.426 6.137 1 0 JKAFRN COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 ZINC000013821546 562997703 /nfs/dbraw/zinc/99/77/03/562997703.db2.gz YSLBKNHXDYSOJD-UHFFFAOYSA-N 0 0 474.358 5.423 1 0 JKAFRN O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2CSc2ccccc2)CN1C1CCCCC1 ZINC000013821981 562997843 /nfs/dbraw/zinc/99/78/43/562997843.db2.gz BUSMNLAIFSVUFT-UHFFFAOYSA-N 0 0 470.598 5.201 1 0 JKAFRN COc1cc(C(=O)[O-])ccc1OCCC[NH+]1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824953 562998244 /nfs/dbraw/zinc/99/82/44/562998244.db2.gz BAARGQXTUQRRII-UHFFFAOYSA-N 0 0 495.566 5.985 1 0 JKAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](COC(=O)c1ccc(F)cc1)C2 ZINC000013825444 562998304 /nfs/dbraw/zinc/99/83/04/562998304.db2.gz QGIJEMZRFXBPHX-QGZVFWFLSA-N 0 0 496.556 5.097 1 0 JKAFRN CCCCc1nn2c(-c3ccccc3)cnc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825697 562998424 /nfs/dbraw/zinc/99/84/24/562998424.db2.gz XUOSVLZHDHUZJX-UHFFFAOYSA-N 0 0 474.572 5.436 1 0 JKAFRN CCCCCN(C)C(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2)cccc1N(C)C ZINC000013827550 562998589 /nfs/dbraw/zinc/99/85/89/562998589.db2.gz BQUFBLKXHOGXFE-UHFFFAOYSA-N 0 0 463.626 5.739 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cc(-c3ccc(OC)cc3)nc2C)cccc1N(C)C ZINC000013827603 562998768 /nfs/dbraw/zinc/99/87/68/562998768.db2.gz WKPWXRIKPSERBM-UHFFFAOYSA-N 0 0 493.652 5.714 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(F)cc2F)c1 ZINC000013827769 562998799 /nfs/dbraw/zinc/99/87/99/562998799.db2.gz MDZPZVXLCCNWCQ-UHFFFAOYSA-N 0 0 456.537 5.918 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1C[S@@](=O)CCn1cnc(-c2ccccc2)c1C ZINC000013827718 562998835 /nfs/dbraw/zinc/99/88/35/562998835.db2.gz PCJXKFDTXXEAIJ-MGBGTMOVSA-N 0 0 466.651 5.428 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(C)C ZINC000013827782 562998855 /nfs/dbraw/zinc/99/88/55/562998855.db2.gz ZGIXASNIAMAUJF-UHFFFAOYSA-N 0 0 462.638 6.763 1 0 JKAFRN Cc1cccc(OCCCn2cnc(-c3ccccc3)c2Cl)c1NC(=O)NCC(C)(C)C ZINC000013827846 562998859 /nfs/dbraw/zinc/99/88/59/562998859.db2.gz LMVJPINFMJHLDK-UHFFFAOYSA-N 0 0 455.002 6.149 1 0 JKAFRN CCCCc1nc2ccc(C(=O)OC)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828041 562998868 /nfs/dbraw/zinc/99/88/68/562998868.db2.gz SKZZRBRUHRIAGC-UHFFFAOYSA-N 0 0 466.545 5.061 1 0 JKAFRN CC(=O)Nc1ccc(OCc2cccc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2)cc1 ZINC000013828630 562999041 /nfs/dbraw/zinc/99/90/41/562999041.db2.gz ABJQBZTYQAQEHL-HHHXNRCGSA-N 0 0 467.525 5.584 1 0 JKAFRN CN(C)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000013829684 562999101 /nfs/dbraw/zinc/99/91/01/562999101.db2.gz UALRUHWFNVBSEZ-DEIXXNFJSA-N 0 0 486.659 7.629 1 0 JKAFRN C[C@]12CCC=C[C@@H]1[C@@H](c1ccc3ccccc3c1/C=C/c1ccccc1)N(Cc1ccccc1)C2=O ZINC000013829918 562999176 /nfs/dbraw/zinc/99/91/76/562999176.db2.gz YGSHEEUBFNOGMP-FRHIQHILSA-N 0 0 469.628 8.066 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830401 562999187 /nfs/dbraw/zinc/99/91/87/562999187.db2.gz GDCXIJQNNPOANR-PDVBFRJSSA-N 0 0 471.572 6.566 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013830407 562999248 /nfs/dbraw/zinc/99/92/48/562999248.db2.gz QJLHGNUMZRQIHJ-BFYHCKCDSA-N 0 0 453.582 6.283 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830419 562999253 /nfs/dbraw/zinc/99/92/53/562999253.db2.gz JPLGLYXSYMSYAT-HDWZZFMRSA-N 0 0 483.608 6.291 1 0 JKAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1 ZINC000013833053 563000145 /nfs/dbraw/zinc/00/01/45/563000145.db2.gz WINOYNIKWSTXQD-DHGZODOPSA-N 0 0 471.601 5.659 1 0 JKAFRN C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1 ZINC000013833121 563000179 /nfs/dbraw/zinc/00/01/79/563000179.db2.gz FEDZYPBAJPUXHT-FMQUCBEESA-N 0 0 498.622 8.594 1 0 JKAFRN CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1 ZINC000013833592 563000589 /nfs/dbraw/zinc/00/05/89/563000589.db2.gz VPOTWSUIDKEOHK-UHFFFAOYSA-N 0 0 460.618 6.553 1 0 JKAFRN COc1cccc(COc2ccc(CC(=O)C3c4cccc(O)c4C(=O)c4c(O)cccc43)cc2)c1 ZINC000013862171 563002744 /nfs/dbraw/zinc/00/27/44/563002744.db2.gz OZYFQTJTCYWURO-UHFFFAOYSA-N 0 0 480.516 5.174 1 0 JKAFRN C[C@H](NC(=O)c1c2ccccc2nc(-c2ccccc2)c1CN1CCOCC1)C1CCCCC1 ZINC000013862774 563003110 /nfs/dbraw/zinc/00/31/10/563003110.db2.gz KGORHDRKRVOPJF-NRFANRHFSA-N 0 0 457.618 5.433 1 0 JKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](c1cc(Cl)cc(Cl)c1)O2)C(C)=CC(C)(C)N3 ZINC000013863765 563003530 /nfs/dbraw/zinc/00/35/30/563003530.db2.gz UTLVNNNRCCRBDZ-RUZDIDTESA-N 0 0 452.381 7.758 1 0 JKAFRN O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2 ZINC000013864102 563003805 /nfs/dbraw/zinc/00/38/05/563003805.db2.gz CVHDGXBLAOQADH-UHFFFAOYSA-N 0 0 480.439 5.507 1 0 JKAFRN COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)OCc1cc(C)cc(OC(C)=O)c1O2 ZINC000013901668 563004385 /nfs/dbraw/zinc/00/43/85/563004385.db2.gz CKZIYLVZONHALO-FQEVSTJZSA-N 0 0 456.491 5.042 1 0 JKAFRN COc1c(O)c(Cl)c2c(c1OC)-c1c(c(Cl)c(O)c(OC)c1OC)C[C@H](C)[C@H](C)C2 ZINC000013907407 563004429 /nfs/dbraw/zinc/00/44/29/563004429.db2.gz PLZKLJVSKMFUMX-AOOOYVTPSA-N 0 0 457.350 5.477 1 0 JKAFRN CCOP(=O)(OCC)C(C[C@H]1CCC[C@H](c2ccccc2)C1=O)P(=O)(OCC)OCC ZINC000013896633 563004391 /nfs/dbraw/zinc/00/43/91/563004391.db2.gz BCDMRAKUMQFMLZ-WOJBJXKFSA-N 0 0 474.471 6.388 1 0 JKAFRN CCN(Cc1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1)[C@H]1CCCc2ccccc21 ZINC000013906478 563004439 /nfs/dbraw/zinc/00/44/39/563004439.db2.gz RBQRPADDWAFDFX-VWLOTQADSA-N 0 0 452.620 5.383 1 0 JKAFRN O[C@H](c1cncc(-c2sccc2-c2cc(Cl)ccc2OCc2ccccc2)c1)C(F)(F)F ZINC000013918589 563004674 /nfs/dbraw/zinc/00/46/74/563004674.db2.gz MRBWBFJXHIUJNQ-HSZRJFAPSA-N 0 0 475.919 7.305 1 0 JKAFRN CC(C)c1cc2cccnc2c(-c2cccc([C@@H](Cc3ccncc3)c3ccc(Cl)cc3)c2)c1 ZINC000013974061 563004871 /nfs/dbraw/zinc/00/48/71/563004871.db2.gz WKUVVAFTNFZIQC-LJAQVGFWSA-N 0 0 463.024 8.448 1 0 JKAFRN O=C([O-])C[C@@H](Cc1csc(CCCc2ccc3c([nH+]2)NCCC3)n1)c1cnc(C2CC2)s1 ZINC000013976935 563005021 /nfs/dbraw/zinc/00/50/21/563005021.db2.gz NYFWULSTXJLATO-QGZVFWFLSA-N 0 0 468.648 5.206 1 0 JKAFRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000013985980 563005419 /nfs/dbraw/zinc/00/54/19/563005419.db2.gz AWPTWNHJHDINDM-KBXRYBNXSA-N 0 0 472.199 5.649 1 0 JKAFRN CCCC(CCC)n1cc2c3c1nc(C)nc3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000013981074 563005236 /nfs/dbraw/zinc/00/52/36/563005236.db2.gz CSSCMHXZJCPICP-UHFFFAOYSA-N 0 0 484.488 7.613 1 0 JKAFRN CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013982505 563005245 /nfs/dbraw/zinc/00/52/45/563005245.db2.gz QKFWYOZIIUVZRC-UHFFFAOYSA-N 0 0 499.879 6.476 1 0 in-vitro JKAFRN Cc1ccc2[nH]c(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(C)ccc6[nH]5)cc4)cc3)nc2c1 ZINC000013982105 563005325 /nfs/dbraw/zinc/00/53/25/563005325.db2.gz RGLPEAJVAHAYCE-UHFFFAOYSA-N 0 0 472.552 7.034 1 0 JKAFRN O=C(Nc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1 ZINC000013996966 563005439 /nfs/dbraw/zinc/00/54/39/563005439.db2.gz OZRIBMWKRWFARD-AREMUKBSSA-N 0 0 488.595 5.685 1 0 JKAFRN COc1c(O)c(OC)c(C(=O)[C@@H]2CC(CCC=C(C)C)=CC[C@H]2c2ccccc2)c(O)c1OC ZINC000014559728 563005992 /nfs/dbraw/zinc/00/59/92/563005992.db2.gz LXKXXDWXWNBTNE-LEWJYISDSA-N 0 0 466.574 6.173 1 0 JKAFRN CC(C)=CCC/C(C)=C/Cc1c2oc(-c3cc(O)cc4c3C[C@H](C(C)(C)O)O4)cc2ccc1O ZINC000014610492 563006002 /nfs/dbraw/zinc/00/60/02/563006002.db2.gz HDAQXXCKXVBBEI-XHLFLETQSA-N 0 0 462.586 6.821 1 0 biogenic,in-vitro JKAFRN CC[C@H](C)C(=O)c1c(O)cc(O)c2c1O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@@H](CC=C(C)C)C2 ZINC000014679697 563006182 /nfs/dbraw/zinc/00/61/82/563006182.db2.gz KNWRSKBHVUABNU-DBQXVKICSA-N 0 0 482.705 8.466 1 0 JKAFRN CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)c(CC=C(C)C)c(O)cc3O2)ccc1O ZINC000014692546 563006279 /nfs/dbraw/zinc/00/62/79/563006279.db2.gz NALIGSFHPZUJQO-KIAIXJHNSA-N 0 0 476.613 7.254 1 0 in-vitro JKAFRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1Oc1ncccc1-c1ccncn1 ZINC000014957220 563007958 /nfs/dbraw/zinc/00/79/58/563007958.db2.gz WPGZZMRHHXVHEX-UHFFFAOYSA-N 0 0 450.420 5.910 1 0 JKAFRN Cn1c2ccc(-c3nc(-c4cccs4)[nH]c3-c3cccc(C(F)(F)F)c3)cc2n(C)c1=O ZINC000014958486 563008123 /nfs/dbraw/zinc/00/81/23/563008123.db2.gz VOYSWPGXNZZVJX-UHFFFAOYSA-N 0 0 454.477 5.681 1 0 JKAFRN O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1 ZINC000014959240 563008156 /nfs/dbraw/zinc/00/81/56/563008156.db2.gz ULBBMFAYNFDAKN-FQEVSTJZSA-N 0 0 474.870 5.207 1 0 JKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959462 563008227 /nfs/dbraw/zinc/00/82/27/563008227.db2.gz LQDWIZNKPVLTTR-JOCHJYFZSA-N 0 0 454.570 5.846 1 0 JKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCCCC2)C1 ZINC000014959492 563008269 /nfs/dbraw/zinc/00/82/69/563008269.db2.gz HMMGUFJOQNBLCW-XMMPIXPASA-N 0 0 482.624 6.626 1 0 JKAFRN Cc1ccc2c(c1)sc(C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c2Cl ZINC000014963628 563008671 /nfs/dbraw/zinc/00/86/71/563008671.db2.gz YAQJDQSFMATAHT-UHFFFAOYSA-N 0 0 489.811 7.675 1 0 JKAFRN Cc1cccc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c21 ZINC000014963621 563008674 /nfs/dbraw/zinc/00/86/74/563008674.db2.gz DTZWTHQTRJTLDO-UHFFFAOYSA-N 0 0 489.811 7.675 1 0 JKAFRN C[NH+]1C(C)(C)CC(Nc2ccccc2S(=O)(=O)Nc2ccc3c(c2C(=O)[O-])CCCC3)CC1(C)C ZINC000014964504 563008796 /nfs/dbraw/zinc/00/87/96/563008796.db2.gz GRJIKPWOWUZNJG-UHFFFAOYSA-N 0 0 499.677 5.128 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)ccc2[nH]1 ZINC000014965481 563009058 /nfs/dbraw/zinc/00/90/58/563009058.db2.gz DCFCBTICZZTNCX-UHFFFAOYSA-N 0 0 485.422 6.196 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Cc4cccc(C(F)(F)F)c4)cc3)ccc2[nH]1 ZINC000014965519 563009165 /nfs/dbraw/zinc/00/91/65/563009165.db2.gz RPRXZJJRLZUSAZ-UHFFFAOYSA-N 0 0 484.434 5.734 1 0 JKAFRN COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1[C@H](C)O)O2)C(C)=CC(C)(C)N3 ZINC000014968609 563009490 /nfs/dbraw/zinc/00/94/90/563009490.db2.gz QBUKAFSEUHGMMX-RANIVTSPSA-N 0 0 461.583 6.681 1 0 JKAFRN COC(=O)c1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3 ZINC000014968585 563009501 /nfs/dbraw/zinc/00/95/01/563009501.db2.gz LSUIEOBBDXBMCZ-NDENLUEZSA-N 0 0 475.566 6.414 1 0 JKAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014971400 563009750 /nfs/dbraw/zinc/00/97/50/563009750.db2.gz CLFFUHRIORMEDS-LJAQVGFWSA-N 0 0 499.655 5.659 1 0 JKAFRN COc1ccccc1[C@@H]1SC(c2ccc(Cl)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972835 563009924 /nfs/dbraw/zinc/00/99/24/563009924.db2.gz OAGHMLOTIYBLDR-QFIPXVFZSA-N 0 0 462.880 6.016 1 0 JKAFRN COc1ccccc1[C@H]1SC(c2ccc(Cl)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972839 563009930 /nfs/dbraw/zinc/00/99/30/563009930.db2.gz OAGHMLOTIYBLDR-JOCHJYFZSA-N 0 0 462.880 6.016 1 0 JKAFRN O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)S[C@H]1c1ccccc1OC(F)F ZINC000014972850 563009937 /nfs/dbraw/zinc/00/99/37/563009937.db2.gz NEYYMHOBVMYCFZ-NRFANRHFSA-N 0 0 482.405 6.094 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC ZINC000014972818 563009939 /nfs/dbraw/zinc/00/99/39/563009939.db2.gz QFPFADQBVCQGIH-QHCPKHFHSA-N 0 0 476.451 5.510 1 0 JKAFRN COc1cc(F)c(C(=O)N2N=C(c3ccc(F)cc3)S[C@H]2c2cccc(OC)c2OC)c(F)c1 ZINC000014972911 563009978 /nfs/dbraw/zinc/00/99/78/563009978.db2.gz SPEZOWKRIVQCNP-DEOSSOPVSA-N 0 0 488.487 5.379 1 0 JKAFRN CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C ZINC000014975831 563010300 /nfs/dbraw/zinc/01/03/00/563010300.db2.gz RFPBUBXFEAZKGC-UHFFFAOYSA-N 0 0 460.618 5.417 1 0 JKAFRN Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1 ZINC000014975713 563010302 /nfs/dbraw/zinc/01/03/02/563010302.db2.gz AKWSLSBUPCXQOW-UHFFFAOYSA-N 0 0 461.299 5.486 1 0 JKAFRN CCSc1c(Cc2ccccc2C(F)(F)F)sc2c1c(=O)n(C)c(=O)n2CC(C)C ZINC000014977649 563010745 /nfs/dbraw/zinc/01/07/45/563010745.db2.gz MIAXOMOVNFGVNO-UHFFFAOYSA-N 0 0 456.555 5.139 1 0 JKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000014978168 563010786 /nfs/dbraw/zinc/01/07/86/563010786.db2.gz OHQKVAGCOJUASV-UHFFFAOYSA-N 0 0 473.642 5.997 1 0 JKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2cnc3ccccc3c2)cc1 ZINC000014978399 563010798 /nfs/dbraw/zinc/01/07/98/563010798.db2.gz KOLCYOVBVGKSOC-UHFFFAOYSA-N 0 0 497.664 6.637 1 0 JKAFRN C[C@@]12CC[C@@H]([C@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000014984397 563011086 /nfs/dbraw/zinc/01/10/86/563011086.db2.gz PVLHOJXLNBFHDX-CASBDLHJSA-N 0 0 460.743 6.741 1 0 JKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]2Cn3c4ccccc4nc3[C@@H]2N1c1ccccc1 ZINC000015933788 563011875 /nfs/dbraw/zinc/01/18/75/563011875.db2.gz VBBMAAFCQBWBOT-PUZWTLIVSA-N 0 0 492.501 5.201 3 0 JKAFRN COc1ccc(/C=C/c2c3cc(-c4ccc5c(c4)OCO5)ccc3oc2-c2cccc(C)c2)cc1 ZINC000015934070 563011878 /nfs/dbraw/zinc/01/18/78/563011878.db2.gz SESKXAPBBPJZJM-MDWZMJQESA-N 0 0 460.529 7.983 3 0 JKAFRN C[C@]12C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015936693 563012205 /nfs/dbraw/zinc/01/22/05/563012205.db2.gz XOQZPPBLXLNPIR-DNRBGDKYSA-N 0 0 478.470 5.780 3 0 JKAFRN COc1ccc(N(C(=O)Nc2ccccc2Cl)c2ccnc(N[C@@H](C)C(C)(C)O)n2)cc1 ZINC000016052060 563012898 /nfs/dbraw/zinc/01/28/98/563012898.db2.gz ZWYFTKPEHRQCCW-HNNXBMFYSA-N 0 0 455.946 5.080 1 0 in-vivo JKAFRN CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C(=O)[C@H](C)CN12 ZINC000016957487 563013231 /nfs/dbraw/zinc/01/32/31/563013231.db2.gz FAKMIAZIJZGHPT-ZWVRTZEQSA-N 0 0 467.612 7.459 1 0 JKAFRN O=[S@](OC12CC3CC(CC(C3)C1)C2)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000017190086 563013534 /nfs/dbraw/zinc/01/35/34/563013534.db2.gz GXPPFFRVFBAFCB-MXLZZCJBSA-N 0 0 451.415 6.580 1 0 JKAFRN Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc(/C=C/c3ccccc3)cc1)SC(=N)N2 ZINC000017221749 563013894 /nfs/dbraw/zinc/01/38/94/563013894.db2.gz WCEDXYBMEYAOQK-JYSHFMIGSA-N 0 0 464.594 6.027 1 0 JKAFRN O=C(Nc1cccc2ccccc21)N[C@@H]1CCC[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000017836638 563014324 /nfs/dbraw/zinc/01/43/24/563014324.db2.gz OURISPMWLZRKMI-SZPZYZBQSA-N 0 0 452.558 6.247 1 0 JKAFRN Cc1ccc(NC(=O)c2sc(Nc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c2N)cc1 ZINC000018023401 563014358 /nfs/dbraw/zinc/01/43/58/563014358.db2.gz MQMUQMLSIZCXMX-JOCHJYFZSA-N 0 0 476.989 5.684 1 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018156531 563014534 /nfs/dbraw/zinc/01/45/34/563014534.db2.gz CVPSWYYOBYZPAO-RXFWQSSRSA-N 0 0 464.581 5.271 1 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)C3CC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018167687 563014556 /nfs/dbraw/zinc/01/45/56/563014556.db2.gz FGEYVMWKHSUPNE-FQLXRVMXSA-N 0 0 498.598 5.324 3 0 JKAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000020507992 563016227 /nfs/dbraw/zinc/01/62/27/563016227.db2.gz LLNUOJJEYOIBRY-SFTDATJTSA-N 0 0 458.942 5.106 1 0 JKAFRN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]1c1cccs1 ZINC000020508000 563016256 /nfs/dbraw/zinc/01/62/56/563016256.db2.gz LLNUOJJEYOIBRY-NHCUHLMSSA-N 0 0 458.942 5.106 1 0 JKAFRN CCc1ccc(NC(=O)N(CCCN2CCOCC2)[C@H](C)c2cc3cccc(OC)c3o2)cc1 ZINC000020730486 563016338 /nfs/dbraw/zinc/01/63/38/563016338.db2.gz IZKPTYUIGUTLGA-HXUWFJFHSA-N 0 0 465.594 5.321 3 0 JKAFRN Fc1ccc([C@H](OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2Cl)cc1 ZINC000022925549 563017637 /nfs/dbraw/zinc/01/76/37/563017637.db2.gz HTXTUFOZOVYDCP-DHOYSUIYSA-N 0 0 499.457 6.570 1 0 JKAFRN O[C@H](COc1cccc2ncccc21)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022934412 563018943 /nfs/dbraw/zinc/01/89/43/563018943.db2.gz WGNDBFMIYKCGFI-ABYGYWHVSA-N 0 0 488.031 5.035 1 0 JKAFRN FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023360899 563020190 /nfs/dbraw/zinc/02/01/90/563020190.db2.gz OKVPTUOBHHHDDX-MHZLTWQESA-N 0 0 468.563 5.269 1 0 JKAFRN Fc1ccc(C(OCCN2CCN(C[C@@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000023360843 563020237 /nfs/dbraw/zinc/02/02/37/563020237.db2.gz VXDRWSRRRHADME-MHZLTWQESA-N 0 0 468.563 5.269 1 0 JKAFRN CCC(=O)[C@H](Nc1ccc(Cl)cc1)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025976006 563020745 /nfs/dbraw/zinc/02/07/45/563020745.db2.gz XAQPOFUAMZOHGZ-PZJWPPBQSA-N 0 0 451.785 5.592 1 0 JKAFRN COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C(=O)c2ccccc2)c1 ZINC000025975569 563020766 /nfs/dbraw/zinc/02/07/66/563020766.db2.gz VHPUQUQWRUQIEH-UHFFFAOYSA-N 0 0 498.616 5.634 1 0 JKAFRN S=C(Nc1ccc(Cl)cc1Cl)N[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025980010 563020854 /nfs/dbraw/zinc/02/08/54/563020854.db2.gz BHEMVRCSAWIFRK-QGZVFWFLSA-N 0 0 460.217 6.225 1 0 JKAFRN CCN(c1nc(C)cc(-c2ccccc2Cl)n1)c1c(Br)cc(OC)cc1OC ZINC000026007737 563021576 /nfs/dbraw/zinc/02/15/76/563021576.db2.gz XSDJQDVSQMIYTF-UHFFFAOYSA-N 0 0 462.775 6.043 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2N(C)C)n1 ZINC000026001949 563021300 /nfs/dbraw/zinc/02/13/00/563021300.db2.gz IUAVTUKIJBEVLZ-UHFFFAOYSA-N 0 0 453.428 6.562 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2-c2ccccc2)n1 ZINC000026004539 563021418 /nfs/dbraw/zinc/02/14/18/563021418.db2.gz ZNODYVKCIZYTDY-UHFFFAOYSA-N 0 0 486.457 8.163 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2Br)n1 ZINC000026007048 563021603 /nfs/dbraw/zinc/02/16/03/563021603.db2.gz WVDQLXCLENCJCR-UHFFFAOYSA-N 0 0 489.255 7.258 1 0 JKAFRN O[C@](Cc1ccc(Cl)cc1)(c1ccccc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000026011513 563021696 /nfs/dbraw/zinc/02/16/96/563021696.db2.gz LJMUGOJBMYQCLJ-RPWUZVMVSA-N 0 0 488.802 5.257 1 0 JKAFRN CC/C(=C(\c1ccc(OC(C)=O)cc1)c1cccc(OC(C)=O)c1)c1cccc(OC(C)=O)c1 ZINC000026016793 563021876 /nfs/dbraw/zinc/02/18/76/563021876.db2.gz ROEGBJWLDUFUSF-DQSJHHFOSA-N 0 0 458.510 5.832 1 0 JKAFRN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)[C@H](CO)C1 ZINC000026161273 563022781 /nfs/dbraw/zinc/02/27/81/563022781.db2.gz VLRLIJPIWNCLSY-MHZLTWQESA-N 0 0 494.680 5.726 1 0 JKAFRN CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000026159890 563022788 /nfs/dbraw/zinc/02/27/88/563022788.db2.gz LWIVKHBGLMJTDY-UHFFFAOYSA-N 0 0 464.654 6.365 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000026163036 563022919 /nfs/dbraw/zinc/02/29/19/563022919.db2.gz XIKUSXQTILEQON-UWSIMGETSA-N 0 0 457.309 5.067 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000026163022 563022940 /nfs/dbraw/zinc/02/29/40/563022940.db2.gz XIKUSXQTILEQON-OWSXEPHWSA-N 0 0 457.309 5.067 1 0 JKAFRN COc1ccc(C[C@H]2[C@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166120 563023065 /nfs/dbraw/zinc/02/30/65/563023065.db2.gz WVJKUKCCKMNTKW-OPHFCASCSA-N 0 0 473.352 5.355 1 0 JKAFRN CCCCN(C(=O)Nc1ccc(F)cc1F)c1cnc2ccc(Cl)cc2c1-c1ccccc1 ZINC000026170005 563023326 /nfs/dbraw/zinc/02/33/26/563023326.db2.gz MLCCNPHWSFWSTF-UHFFFAOYSA-N 0 0 465.931 7.672 1 0 JKAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccc(Oc3ccccc3)c1)O2 ZINC000026176046 563023591 /nfs/dbraw/zinc/02/35/91/563023591.db2.gz SFXKAHWGFOHRDN-HHHXNRCGSA-N 0 0 473.550 6.008 1 0 JKAFRN O=C1O[C@H](c2cccc(OCc3ccc4ccccc4n3)c2)CN1Cc1ccc2ccccc2n1 ZINC000026181108 563023786 /nfs/dbraw/zinc/02/37/86/563023786.db2.gz BLDHJGDWVUHCIU-NDEPHWFRSA-N 0 0 461.521 6.056 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2cc(Cl)ccc2oc1-c1ccc(F)cc1 ZINC000026182779 563023862 /nfs/dbraw/zinc/02/38/62/563023862.db2.gz KPSMEXSLKNCXPO-UHFFFAOYSA-N 0 0 472.044 8.424 1 0 JKAFRN COC(=O)[C@H](CCc1ccccc1)Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 ZINC000026253331 563024547 /nfs/dbraw/zinc/02/45/47/563024547.db2.gz JQHGUPSDNHXHBM-HSZRJFAPSA-N 0 0 458.558 5.308 1 0 JKAFRN CCCCOc1ccc(S(=O)(=O)N(CC2CCCCC2)[C@@H](c2c[nH]cn2)c2ccccc2)cc1 ZINC000026266802 563024889 /nfs/dbraw/zinc/02/48/89/563024889.db2.gz BBNCBANWAAELAF-HHHXNRCGSA-N 0 0 481.662 5.949 1 0 JKAFRN CCCc1cc(C(=O)c2ccccc2)ccc1OCc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000026274315 563025162 /nfs/dbraw/zinc/02/51/62/563025162.db2.gz UGHLYOVEVDSEPU-IWIPYMOSSA-N 0 0 473.619 6.778 1 0 JKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CCN(C(=O)CN3CCOCC3)C=C21 ZINC000026274580 563025173 /nfs/dbraw/zinc/02/51/73/563025173.db2.gz ABRVENPPEOSMNX-HFMPRLQTSA-N 0 0 484.681 5.405 1 0 JKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Br ZINC000026285061 563025530 /nfs/dbraw/zinc/02/55/30/563025530.db2.gz HBTBDMMDKNMJNN-UHFFFAOYSA-N 0 0 459.409 5.336 1 0 JKAFRN CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C[NH+]1CCCC1)c1cccc(OCCCC(=O)[O-])c1 ZINC000026286835 563025636 /nfs/dbraw/zinc/02/56/36/563025636.db2.gz HRVOOLFNEVYVAI-QHCPKHFHSA-N 0 0 493.431 5.075 1 0 JKAFRN CCCCCc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)cc1 ZINC000026290719 563025703 /nfs/dbraw/zinc/02/57/03/563025703.db2.gz PWMMVCOAZIQYGS-SANMLTNESA-N 0 0 457.549 5.128 1 0 JKAFRN CN(C)c1ccc([C@H]2C[C@@]3(C)[C@H](CC[C@@]3(O)C#Cc3ccccc3)[C@@H]3CCC4=CC(=O)CCC4=C23)cc1 ZINC000026293520 563025805 /nfs/dbraw/zinc/02/58/05/563025805.db2.gz JPSUOWNKGOLNAE-MKQSSORISA-N 0 0 491.675 6.435 1 0 JKAFRN Cc1ccc(OC[C@H]2O[C@@H](n3cnc4c3nc(Cl)cc4NO)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000026294702 563025897 /nfs/dbraw/zinc/02/58/97/563025897.db2.gz LLIFNOHNLMEBDV-QZNHQXDQSA-N 0 0 480.952 5.317 1 0 JKAFRN COc1ccc([S@@](=O)c2ccc([C@H](N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1 ZINC000026293769 563025898 /nfs/dbraw/zinc/02/58/98/563025898.db2.gz IABCBMLUYJFQMB-CAQRMWTPSA-N 0 0 480.596 5.416 1 0 JKAFRN CCCC[C@H](CC)C(=O)n1c2cc(C(=O)N3CCOCC3)oc2c2ccc(C(F)(F)F)cc21 ZINC000026384017 563026884 /nfs/dbraw/zinc/02/68/84/563026884.db2.gz XFFNMIJQFDKPBW-HNNXBMFYSA-N 0 0 464.484 5.735 1 0 JKAFRN Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000026385842 563026966 /nfs/dbraw/zinc/02/69/66/563026966.db2.gz DYYSCQNGKZJJCO-UHFFFAOYSA-N 0 0 471.220 5.056 1 0 JKAFRN O=C(Nc1ccc(Br)cc1Br)N(Cc1ccccc1)c1ccccc1 ZINC000026384779 563027009 /nfs/dbraw/zinc/02/70/09/563027009.db2.gz IZYCEPBXYXDAPJ-UHFFFAOYSA-N 0 0 460.169 6.450 1 0 JKAFRN COc1ccc(-c2cc(Nc3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000026397795 563027355 /nfs/dbraw/zinc/02/73/55/563027355.db2.gz SXIUKRYFPOFVJY-UHFFFAOYSA-N 0 0 473.529 5.597 1 0 JKAFRN CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)n(C)c(-c2ccccc2)c1-c1ccccc1 ZINC000026401501 563027565 /nfs/dbraw/zinc/02/75/65/563027565.db2.gz GWSPMMMDOXHLFB-UHFFFAOYSA-N 0 0 463.578 5.628 1 0 JKAFRN COc1ccc(-c2cc(Oc3ccc(Cl)cc3Cl)nnc2-c2ccc(OC)cc2)cc1 ZINC000026468040 563027824 /nfs/dbraw/zinc/02/78/24/563027824.db2.gz SQZVYXVBZZDTRF-UHFFFAOYSA-N 0 0 453.325 6.927 1 0 JKAFRN CCCN(c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)nn1)c1ccc(F)cc1F ZINC000026474567 563028021 /nfs/dbraw/zinc/02/80/21/563028021.db2.gz WIIXTMBPNGPCMS-UHFFFAOYSA-N 0 0 461.512 6.654 1 0 JKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(F)cc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC000026476305 563028104 /nfs/dbraw/zinc/02/81/04/563028104.db2.gz AAERNHWNNRMQJO-UHFFFAOYSA-N 0 0 454.427 5.867 1 0 JKAFRN CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 ZINC000026490019 563028533 /nfs/dbraw/zinc/02/85/33/563028533.db2.gz JPDANJHXQZGDGF-UHFFFAOYSA-N 0 0 476.617 6.484 1 0 JKAFRN Clc1ccc2ccc(COc3ccc(Cn4ccc5cccc(CCc6nn[nH]n6)c54)cc3)nc2c1 ZINC000026499563 563028890 /nfs/dbraw/zinc/02/88/90/563028890.db2.gz NSJNOTRBXVLXJN-UHFFFAOYSA-N 0 0 494.986 5.769 1 0 JKAFRN CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4N)cc3)sc2c1 ZINC000026505029 563029358 /nfs/dbraw/zinc/02/93/58/563029358.db2.gz ZYDYIEDBQMETPI-UHFFFAOYSA-N 0 0 490.437 6.988 1 0 JKAFRN Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000026567449 563029674 /nfs/dbraw/zinc/02/96/74/563029674.db2.gz VRSHGZMFXJHCDY-UHFFFAOYSA-N 0 0 457.702 6.064 1 0 JKAFRN CC(=O)OC(OC(C)=O)c1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026571697 563030022 /nfs/dbraw/zinc/03/00/22/563030022.db2.gz OLEKFRBBSDIQAW-JOCHJYFZSA-N 0 0 486.543 5.952 1 0 JKAFRN CCCCOC(=O)c1ccc(-n2nc(C=O)c3c2[C@@H](Cc2cccc4ccccc42)CCC3)cc1 ZINC000026571879 563030042 /nfs/dbraw/zinc/03/00/42/563030042.db2.gz MOSMBCMBILJDSD-XMMPIXPASA-N 0 0 466.581 6.458 1 0 JKAFRN O=C(NCc1ccccc1)c1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc21 ZINC000026573855 563030234 /nfs/dbraw/zinc/03/02/34/563030234.db2.gz BGAVICLIYBAOSY-VWLOTQADSA-N 0 0 489.594 6.757 1 0 JKAFRN O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21)c1ccccc1 ZINC000026575812 563030527 /nfs/dbraw/zinc/03/05/27/563030527.db2.gz OFOYUPVGUBYDHW-RUZDIDTESA-N 0 0 490.578 7.184 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(C)(C)c1ccccc1-2 ZINC000026578487 563031061 /nfs/dbraw/zinc/03/10/61/563031061.db2.gz UPKIEYZCYLPMQP-UHFFFAOYSA-N 0 0 489.541 6.495 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N(C[C@@H](O)c2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000026638405 563031475 /nfs/dbraw/zinc/03/14/75/563031475.db2.gz JHEHVQHFEQIHDF-OAQYLSRUSA-N 0 0 478.420 5.386 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000026639729 563031508 /nfs/dbraw/zinc/03/15/08/563031508.db2.gz BOLZTPSAKPJAGA-FQEVSTJZSA-N 0 0 464.393 5.261 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CCC[C@](O)(c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000026640484 563031562 /nfs/dbraw/zinc/03/15/62/563031562.db2.gz QZVWPVJWWJFKGJ-XMMPIXPASA-N 0 0 478.420 5.171 1 0 JKAFRN CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026643008 563031603 /nfs/dbraw/zinc/03/16/03/563031603.db2.gz ZEEBFAWLCKMELW-OAQYLSRUSA-N 0 0 480.436 5.632 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N2CSC[C@@H]2[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000026645024 563031739 /nfs/dbraw/zinc/03/17/39/563031739.db2.gz RAHKSSPKSVMTPO-UXHICEINSA-N 0 0 496.460 5.296 1 0 JKAFRN CCCCN(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026646063 563031792 /nfs/dbraw/zinc/03/17/92/563031792.db2.gz SSJKXXJJPQMUGI-JOCHJYFZSA-N 0 0 494.463 6.023 1 0 JKAFRN C[C@@](C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)(OCC(=O)[O-])c1ccccc1 ZINC000026647239 563031814 /nfs/dbraw/zinc/03/18/14/563031814.db2.gz VVJIKXBYSLHFIH-NSOVKSMOSA-N 0 0 479.020 5.064 1 0 JKAFRN Cc1ccc([C@@H](O)CN(C(=O)Nc2ccc(CNC(=O)C(C)(C)C)cc2)C2CCC2)cc1C ZINC000026647937 563031913 /nfs/dbraw/zinc/03/19/13/563031913.db2.gz CBFHRXMSLQGEHK-DEOSSOPVSA-N 0 0 451.611 5.086 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N(C[C@@H](O)c2cccc(Cl)c2Cl)C2CCC2)cc1 ZINC000026649349 563031940 /nfs/dbraw/zinc/03/19/40/563031940.db2.gz DAIONNVGZCMKCV-OAQYLSRUSA-N 0 0 492.447 5.776 1 0 JKAFRN O=C([O-])CO[C@@H](CCc1ccccc1)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000026651125 563031998 /nfs/dbraw/zinc/03/19/98/563031998.db2.gz WMHJGQUTOTYOOZ-YTMVLYRLSA-N 0 0 493.047 5.150 1 0 JKAFRN COc1ccc2cc([C@@H](C)C(=O)NC[C@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000026660556 563032691 /nfs/dbraw/zinc/03/26/91/563032691.db2.gz WDEFOOMUIWHGCX-QTEAWJPNSA-N 0 0 489.612 5.703 1 0 JKAFRN CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@H]3c2cccnc2)c2ccc(Cl)cc21 ZINC000026730677 563034138 /nfs/dbraw/zinc/03/41/38/563034138.db2.gz KFUOJTXZZMYJNA-QFIPXVFZSA-N 0 0 450.951 5.046 1 0 JKAFRN CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3nccs3)cc21 ZINC000026730386 563034158 /nfs/dbraw/zinc/03/41/58/563034158.db2.gz QYZVMSOHXBRPEI-RUZDIDTESA-N 0 0 499.621 5.516 1 0 JKAFRN CNC(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026731228 563034182 /nfs/dbraw/zinc/03/41/82/563034182.db2.gz HWJFDGDXWNQBFR-HHHXNRCGSA-N 0 0 496.567 5.856 1 0 JKAFRN CCCCOCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc21 ZINC000026732640 563034228 /nfs/dbraw/zinc/03/42/28/563034228.db2.gz VRMZXIXZKLVSAK-UHFFFAOYSA-N 0 0 457.954 5.203 1 0 JKAFRN NC(=O)n1cc(C(=O)c2ccn3c2CS[C@H]3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21 ZINC000026732736 563034229 /nfs/dbraw/zinc/03/42/29/563034229.db2.gz SXCBKQVIUOYLFM-SANMLTNESA-N 0 0 482.540 5.595 1 0 JKAFRN O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1c[nH]c2cc(OCc3ccccc3)ccc21 ZINC000026732768 563034253 /nfs/dbraw/zinc/03/42/53/563034253.db2.gz SFVYOTPVGBKQCX-HHHXNRCGSA-N 0 0 451.551 5.968 1 0 JKAFRN CN(C)C(=O)n1cc(C(=O)c2ccn3c2CS[C@@H]3c2cccnc2)c2ccc(-c3ccccc3)cc21 ZINC000026736347 563034411 /nfs/dbraw/zinc/03/44/11/563034411.db2.gz UDQBUNAWWBVGKZ-MUUNZHRXSA-N 0 0 492.604 6.059 1 0 JKAFRN O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1cn(CCO)c2cc(-c3ccc(F)cc3)ccc12 ZINC000026739585 563034663 /nfs/dbraw/zinc/03/46/63/563034663.db2.gz MSJKJRQWFYHPIY-MUUNZHRXSA-N 0 0 483.568 5.661 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2CC[C@@]3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1Cl ZINC000026750911 563035275 /nfs/dbraw/zinc/03/52/75/563035275.db2.gz KJWKJEQJUAQMMJ-LJAQVGFWSA-N 0 0 471.000 6.912 1 0 JKAFRN O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)Sc1ccc(Cl)cc1 ZINC000026771240 563035345 /nfs/dbraw/zinc/03/53/45/563035345.db2.gz CKZPPVIGZNRKET-CYBMUJFWSA-N 0 0 461.650 7.284 1 0 JKAFRN C[C@@H](NCC(=O)OC(C)(C)C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000026816733 563035412 /nfs/dbraw/zinc/03/54/12/563035412.db2.gz GEVMLSIJLJMXBH-YSOSRAQCSA-N 0 0 461.731 5.962 1 0 JKAFRN COc1cccc(OC)c1C(=O)Nc1ccc(C(=O)N2CC[C@]3(C=CCCC3)Cc3ccccc32)cc1 ZINC000026816675 563035426 /nfs/dbraw/zinc/03/54/26/563035426.db2.gz IRDROVAEOXLNCZ-WJOKGBTCSA-N 0 0 496.607 6.276 1 0 JKAFRN O=C1C[C@H](O)C[C@@H](COc2c(Cl)cc(Cl)cc2C(c2ccc(F)cc2)c2ccc(F)cc2)O1 ZINC000026816837 563035427 /nfs/dbraw/zinc/03/54/27/563035427.db2.gz VBDZHZVKTYBQHH-UXHICEINSA-N 0 0 493.333 5.897 1 0 JKAFRN C[S@@](=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CC[C@]4(C=CCCC4)Cc4ccccc43)cc2)cc1 ZINC000026817043 563035438 /nfs/dbraw/zinc/03/54/38/563035438.db2.gz ZRJYUYCGVMDHOG-GERKYKROSA-N 0 0 498.648 5.996 1 0 JKAFRN COc1cc(O[C@H](C)c2ccccc2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026824788 563035791 /nfs/dbraw/zinc/03/57/91/563035791.db2.gz SEQLKNFXPQACMA-HXUWFJFHSA-N 0 0 486.568 5.597 1 0 JKAFRN C/C(=C\c1csc(C)n1)[C@@H]1CCCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000026824111 563035829 /nfs/dbraw/zinc/03/58/29/563035829.db2.gz BBFOPCOGPUQYLX-OMQPCPKRSA-N 0 0 479.683 5.100 1 0 JKAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2cccc(-c3ccco3)c2)[C@H](O)C[C@@H]1O ZINC000026828536 563036092 /nfs/dbraw/zinc/03/60/92/563036092.db2.gz MOUSQDSBOBLWHW-KKMQIIESSA-N 0 0 496.644 5.222 1 0 JKAFRN C[C@H](CC(=O)CC(C)(C)O)C1=C2CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O ZINC000026829894 563036155 /nfs/dbraw/zinc/03/61/55/563036155.db2.gz JYXPQVJIQKXCLQ-NSLPMKPDSA-N 0 0 470.694 6.240 1 0 JKAFRN O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(I)cc1 ZINC000026839590 563036695 /nfs/dbraw/zinc/03/66/95/563036695.db2.gz JCBXRGBJVHBOMK-DHIUTWEWSA-N 0 0 483.349 5.724 1 0 JKAFRN CC(C)=CCC/C(C=C(F)F)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C ZINC000026842378 563036922 /nfs/dbraw/zinc/03/69/22/563036922.db2.gz AYSPCTZPQDLGCU-WPQIHIMASA-N 0 0 474.720 10.577 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@@H](CCc1ccccc1)c1ccc2ccccc2c1 ZINC000026951892 563037950 /nfs/dbraw/zinc/03/79/50/563037950.db2.gz KYCZSWSGXXCAIC-IZLXSDGUSA-N 0 0 499.651 6.443 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000026957687 563037984 /nfs/dbraw/zinc/03/79/84/563037984.db2.gz KGUKMYHGXSASDG-LOSJGSFVSA-N 0 0 463.618 5.160 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](CCC1CCCCC1)c1ccccc1 ZINC000026958853 563038098 /nfs/dbraw/zinc/03/80/98/563038098.db2.gz YNPANRJZMKOXEU-DNQXCXABSA-N 0 0 455.639 6.018 1 0 JKAFRN CCn1c2ccccc2c2ccc([C@H]3SCC(=O)N3[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc21 ZINC000026968382 563038306 /nfs/dbraw/zinc/03/83/06/563038306.db2.gz HGUAGICHMHBLCU-XTEPFMGCSA-N 0 0 497.620 5.654 1 0 JKAFRN CCN(CC)C(=O)Cc1ccc([C@@H]2[C@@H](CCCc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000026969910 563038357 /nfs/dbraw/zinc/03/83/57/563038357.db2.gz QBZKECWVMGXGNP-XRKRLSELSA-N 0 0 472.604 5.964 1 0 JKAFRN C[C@]1(c2ccc(F)cc2)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@@H]4CC[C@]3(C)[C@]2(C(=O)CF)O1 ZINC000026992650 563038829 /nfs/dbraw/zinc/03/88/29/563038829.db2.gz JEJGWLZHWOVGNK-UWRGAGLPSA-N 0 0 470.556 5.443 1 0 JKAFRN CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl ZINC000026997926 563038898 /nfs/dbraw/zinc/03/88/98/563038898.db2.gz MSESHEJJCVRUAX-UHFFFAOYSA-N 0 0 478.649 6.878 1 0 JKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@H](Cc2ccc(OC(F)(F)F)cc2)C1=O ZINC000026997943 563038936 /nfs/dbraw/zinc/03/89/36/563038936.db2.gz SFNOJDFMSQULNC-HXUWFJFHSA-N 0 0 474.866 5.369 1 0 JKAFRN Cc1ccc(CS[C@H]2Nc3c(CCCCCOCc4ccccc4)ncn3C(=O)N2)cc1 ZINC000027106184 563040322 /nfs/dbraw/zinc/04/03/22/563040322.db2.gz QUZMWOMLJYZSTF-DEOSSOPVSA-N 0 0 450.608 5.321 1 0 JKAFRN Cc1ccc(CS[C@@H]2Nc3c(CCCCCOCc4ccccc4)ncn3C(=O)N2)cc1 ZINC000027106188 563040335 /nfs/dbraw/zinc/04/03/35/563040335.db2.gz QUZMWOMLJYZSTF-XMMPIXPASA-N 0 0 450.608 5.321 1 0 JKAFRN CCCN(CC1CC1)c1cc([S@@](C)=O)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn21 ZINC000027196856 563041220 /nfs/dbraw/zinc/04/12/20/563041220.db2.gz BHFWICOHPLTYNY-LJAQVGFWSA-N 0 0 451.423 5.375 1 0 JKAFRN CCOC(=O)CCCN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000027200810 563041392 /nfs/dbraw/zinc/04/13/92/563041392.db2.gz IVVKZOKPKKYRGU-UHFFFAOYSA-N 0 0 459.586 5.223 1 0 JKAFRN O=C1O[C@H](O)c2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1 ZINC000027313029 563042540 /nfs/dbraw/zinc/04/25/40/563042540.db2.gz QOHCJUVTMMKDQS-LJAQVGFWSA-N 0 0 482.532 5.245 1 0 JKAFRN CC(C)CC(=O)O[C@@H]1[C@@H](OC(=O)c2cccc(Cl)c2)c2c(ccc3ccc(=O)oc32)OC1(C)C ZINC000027314962 563042647 /nfs/dbraw/zinc/04/26/47/563042647.db2.gz SITCCUGMBZQBGE-BJKOFHAPSA-N 0 0 484.932 5.473 1 0 JKAFRN CC(C)(C)CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc32)OC(C)(C)[C@H]1OC(=O)CC(C)(C)C ZINC000027317032 563042704 /nfs/dbraw/zinc/04/27/04/563042704.db2.gz QZWCEPDQOJBVSZ-GOTSBHOMSA-N 0 0 458.551 5.333 1 0 JKAFRN C[C@@H]1CC(O)(c2cccc(COc3ccc4c(cc5c(c4-c4ccccc4)COC5=O)c3)c2)C[C@@H](C)O1 ZINC000027316552 563042736 /nfs/dbraw/zinc/04/27/36/563042736.db2.gz IZCFWNUFTQTWGV-NHCUHLMSSA-N 0 0 494.587 6.531 1 0 JKAFRN O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000027319547 563042813 /nfs/dbraw/zinc/04/28/13/563042813.db2.gz VUISSSBBPOJRTO-UHFFFAOYSA-N 0 0 488.293 7.059 1 0 JKAFRN COc1ccc([C@]2(Cc3ccncc3)CCN(Cc3ccccc3)C2=O)cc1OC1CCCC1 ZINC000027328909 563043069 /nfs/dbraw/zinc/04/30/69/563043069.db2.gz NBMOZEZCSGFNAZ-GDLZYMKVSA-N 0 0 456.586 5.325 1 0 JKAFRN COc1ccc([C@]2(Cc3ccccc3)CCN(C(=O)OC(C)(C)C)C2=O)cc1OC1CCCC1 ZINC000027328486 563043082 /nfs/dbraw/zinc/04/30/82/563043082.db2.gz WGNLOXWSSSBKEK-MUUNZHRXSA-N 0 0 465.590 5.665 1 0 JKAFRN CCCC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027406882 563043326 /nfs/dbraw/zinc/04/33/26/563043326.db2.gz RNRFTDYTHJWRLY-MZJMKWEISA-N 0 0 464.646 7.019 1 0 JKAFRN CCC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027407985 563043400 /nfs/dbraw/zinc/04/34/00/563043400.db2.gz DTRFFJJSLBGQPC-YZHCOFFTSA-N 0 0 450.619 6.629 1 0 JKAFRN C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@H]4C[C@@H](OC(=O)CCl)[C@@]3(C)C1=CC[C@H]2c1ccoc1 ZINC000027408846 563043404 /nfs/dbraw/zinc/04/34/04/563043404.db2.gz PPCUJHKPUYXAHT-PHOOLMCWSA-N 0 0 471.037 6.458 1 0 JKAFRN CC(C)C(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027414743 563043582 /nfs/dbraw/zinc/04/35/82/563043582.db2.gz HZNMMPICNCAUEP-QAIBKHQRSA-N 0 0 464.646 6.875 1 0 JKAFRN CC(C)C(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3c3ccoc3)[C@]12C ZINC000027414740 563043608 /nfs/dbraw/zinc/04/36/08/563043608.db2.gz HZNMMPICNCAUEP-XIRILTMASA-N 0 0 464.646 6.875 1 0 JKAFRN CC(=O)[C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@H]1C2=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000027416905 563043611 /nfs/dbraw/zinc/04/36/11/563043611.db2.gz DZMAIPFWPZZKSY-FKBFFIQXSA-N 0 0 456.755 7.984 1 0 in-vitro JKAFRN CC(=O)c1ccc(CCCCCOc2c(Br)cc(C3=NCCO3)cc2Br)o1 ZINC000027422730 563043861 /nfs/dbraw/zinc/04/38/61/563043861.db2.gz VHKOZSNUSZIFIW-UHFFFAOYSA-N 0 0 499.199 5.576 1 0 JKAFRN Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOC(=O)Nc1ccc(N(C)C)cc1 ZINC000027430134 563044161 /nfs/dbraw/zinc/04/41/61/563044161.db2.gz VVUPHLSFUGGMOQ-UHFFFAOYSA-N 0 0 492.670 6.570 1 0 JKAFRN CC(C)(C)c1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(=O)Cc2ccncc2)CC1 ZINC000027431817 563044181 /nfs/dbraw/zinc/04/41/81/563044181.db2.gz QMMDDCCGKKIJSA-UHFFFAOYSA-N 0 0 486.059 6.193 1 0 JKAFRN CCOC(=O)CC[C@@H](CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCc1cccnc1 ZINC000027443490 563044489 /nfs/dbraw/zinc/04/44/89/563044489.db2.gz BIZYTGBMRLXCIP-FQEVSTJZSA-N 0 0 481.058 5.166 1 0 JKAFRN CCOC(=O)C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000027517665 563044541 /nfs/dbraw/zinc/04/45/41/563044541.db2.gz CFHHSFXQHGMVIW-TXDFWEHZSA-N 0 0 470.738 7.776 1 0 JKAFRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)Nc1cccc(Br)c1 ZINC000027520725 563044952 /nfs/dbraw/zinc/04/49/52/563044952.db2.gz BHZFSAFVRLCWLG-UHFFFAOYSA-N 0 0 453.159 5.979 1 0 JKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@@H](/C=C/c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000027523831 563045282 /nfs/dbraw/zinc/04/52/82/563045282.db2.gz YWRAEFWPEGHNKW-ADBSWRQPSA-N 0 0 479.576 6.751 1 0 JKAFRN C=C1N=C(c2ccccc2)C(C(=O)OCC)[C@H](/C=C/c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000027523832 563045302 /nfs/dbraw/zinc/04/53/02/563045302.db2.gz YWRAEFWPEGHNKW-ZQCBMKCCSA-N 0 0 479.576 6.751 1 0 JKAFRN CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c2cccc3C)CC1 ZINC000027526291 563045619 /nfs/dbraw/zinc/04/56/19/563045619.db2.gz QQESFFIOZSDOMA-UHFFFAOYSA-N 0 0 484.040 5.632 1 0 JKAFRN CCC[C@@H]1O[C@@H]2C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(SC(C)C)O1 ZINC000027552976 563046142 /nfs/dbraw/zinc/04/61/42/563046142.db2.gz DUHMEXGGVGTKKD-VSPJZOQVSA-N 0 0 464.643 5.347 1 0 JKAFRN CC1(C)O[C@@H]2C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(Sc2ccccn2)O1 ZINC000027553107 563046170 /nfs/dbraw/zinc/04/61/70/563046170.db2.gz GEZGJHOQDFAPKQ-BNIKSXDSSA-N 0 0 485.621 5.002 1 0 JKAFRN CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(C)cc1 ZINC000027558959 563046640 /nfs/dbraw/zinc/04/66/40/563046640.db2.gz ONZDVORIGCFRHB-UHFFFAOYSA-N 0 0 477.586 5.430 1 0 JKAFRN CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccccc1 ZINC000027560080 563046695 /nfs/dbraw/zinc/04/66/95/563046695.db2.gz XXQNDWWOWGDMGX-UHFFFAOYSA-N 0 0 463.559 5.122 1 0 JKAFRN CCOC(=O)c1c(CSc2nccn2C)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)cc1 ZINC000027560382 563046730 /nfs/dbraw/zinc/04/67/30/563046730.db2.gz ALDTXAGSAHBYAZ-UHFFFAOYSA-N 0 0 493.585 5.130 1 0 JKAFRN CC(C)(C)C(=O)c1ccc(COCc2cccc(COCc3ccc(C(=O)C(C)(C)C)cc3)n2)cc1 ZINC000027564533 563047059 /nfs/dbraw/zinc/04/70/59/563047059.db2.gz NVENBNIWTLGZOJ-UHFFFAOYSA-N 0 0 487.640 6.973 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C(=O)[C@@]4(COC(=O)C4)CC[C@]23C)C1(C)C ZINC000027624549 563047318 /nfs/dbraw/zinc/04/73/18/563047318.db2.gz HMQBFEDDTFJAJN-VYLCZKOJSA-N 0 0 458.639 5.489 1 0 JKAFRN CC(=O)O[C@H]1C=C2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000027633802 563047691 /nfs/dbraw/zinc/04/76/91/563047691.db2.gz JPRASAUIPQBJHY-JWLXMIEPSA-N 0 0 468.590 5.160 1 0 JKAFRN CCCCCCNc1c(Br)cc2c3c(cccc13)C(=O)N(CCCCCC)C2=O ZINC000027636789 563047822 /nfs/dbraw/zinc/04/78/22/563047822.db2.gz XUCDIUDKXDRUEC-UHFFFAOYSA-N 0 0 459.428 6.771 1 0 JKAFRN O=C(CC(CC(=O)c1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1)c1ccc(Cl)cc1 ZINC000027643852 563048229 /nfs/dbraw/zinc/04/82/29/563048229.db2.gz NAFCGYFSJASIDH-UHFFFAOYSA-N 0 0 465.340 5.599 1 0 JKAFRN CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)[C@@H]1O ZINC000027654439 563048973 /nfs/dbraw/zinc/04/89/73/563048973.db2.gz XWAQJYCOQBJEHJ-VXJFNEKYSA-N 0 0 472.710 5.291 1 0 JKAFRN O=c1[nH]c2ccccc2n1C1=CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027704097 563049419 /nfs/dbraw/zinc/04/94/19/563049419.db2.gz CZFJIGNZNUOUNG-UHFFFAOYSA-N 0 0 460.528 5.383 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)OCC)NC(=O)Nc1ccc(Cl)cc1 ZINC000027709083 563049627 /nfs/dbraw/zinc/04/96/27/563049627.db2.gz SVSAJVRNZAELLC-NRFANRHFSA-N 0 0 468.038 5.382 1 0 JKAFRN CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000027713884 563049904 /nfs/dbraw/zinc/04/99/04/563049904.db2.gz URRZRRQMNMZIAP-LXJKIJFYSA-N 0 0 458.727 6.112 1 0 JKAFRN CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]1O ZINC000027713874 563049930 /nfs/dbraw/zinc/04/99/30/563049930.db2.gz URRZRRQMNMZIAP-FSRAZMSWSA-N 0 0 458.727 6.112 1 0 JKAFRN C=C1N=C(Cn2ccnc2)C(C(=O)OC)[C@@H](c2cccc(C(F)(F)F)c2Cl)C1C(=O)OCC ZINC000027731962 563050788 /nfs/dbraw/zinc/05/07/88/563050788.db2.gz XBTGYCGVPSZVAY-QFGIDJEJSA-N 0 0 483.874 5.047 1 0 JKAFRN O=C([O-])CC/C=C\CO[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1[NH+]1CCCCC1 ZINC000027740213 563050990 /nfs/dbraw/zinc/05/09/90/563050990.db2.gz BZYFYLPNTYTHJE-ATEWMAPJSA-N 0 0 463.618 5.693 1 0 JKAFRN O=S(=O)(/C=C/c1ccc(F)cc1F)Cc1ccc(Nc2ncnc3cc(Cl)ccc32)cc1 ZINC000027747634 563051173 /nfs/dbraw/zinc/05/11/73/563051173.db2.gz GWWCEYXSHWRMER-MDZDMXLPSA-N 0 0 471.916 5.891 1 0 JKAFRN CCOC(=O)[C@@H](CCCCCCOc1ccc(OC)cc1Cl)P(=O)(OCC)OCC ZINC000027750455 563051233 /nfs/dbraw/zinc/05/12/33/563051233.db2.gz GLMAUUCGSVRVNZ-HXUWFJFHSA-N 0 0 464.923 5.876 1 0 JKAFRN COC(=O)[C@H](CSCc1ccccc1)N1C(=O)CS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000027753564 563051239 /nfs/dbraw/zinc/05/12/39/563051239.db2.gz ARBKPKNNNPBNCP-ZCYQVOJMSA-N 0 0 479.623 5.528 1 0 JKAFRN COc1ccc(OCCCCCCc2c(-c3ccccc3)n[nH]c2-c2ccccc2)c(Cl)c1 ZINC000027857211 563052041 /nfs/dbraw/zinc/05/20/41/563052041.db2.gz JRVUBANWBVZYIT-UHFFFAOYSA-N 0 0 461.005 7.588 1 0 JKAFRN Cc1nc2c(Cl)cc(C(F)(F)F)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 ZINC000027855969 563052046 /nfs/dbraw/zinc/05/20/46/563052046.db2.gz JRMVEEDZCPVFFK-UHFFFAOYSA-N 0 0 461.871 5.022 1 0 JKAFRN Clc1ccc2c(c1Cl)CN(CCCCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872600 563052555 /nfs/dbraw/zinc/05/25/55/563052555.db2.gz WIPWMLCKSQMDBG-UHFFFAOYSA-N 0 0 472.287 6.887 1 0 JKAFRN Cc1c(C(=O)Nn2cccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000027875426 563052620 /nfs/dbraw/zinc/05/26/20/563052620.db2.gz MPMYGOPKSVDYCZ-UHFFFAOYSA-N 0 0 490.188 6.102 1 0 JKAFRN CCCC(CC)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000027888767 563052799 /nfs/dbraw/zinc/05/27/99/563052799.db2.gz KLHKBEUARNHSAF-JLRIRHIGSA-N 0 0 460.655 5.756 1 0 JKAFRN Nc1sc2c(c1C(=O)c1ccc(Br)c3ccccc13)CCN(Cc1ccccc1)C2 ZINC000027885755 563052821 /nfs/dbraw/zinc/05/28/21/563052821.db2.gz FKTPNTGTAHCDBD-UHFFFAOYSA-N 0 0 477.427 6.035 1 0 JKAFRN CC(C)N(Cc1ccncc1)C(=O)Cc1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000027900327 563053253 /nfs/dbraw/zinc/05/32/53/563053253.db2.gz GICYYXCYLFAMOP-UHFFFAOYSA-N 0 0 476.418 5.827 1 0 JKAFRN COC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]21 ZINC000027979253 563053564 /nfs/dbraw/zinc/05/35/64/563053564.db2.gz ZSUBCOMYNQZKKX-HORYFHKTSA-N 0 0 472.754 6.766 1 0 JKAFRN COC[C@]1(C)[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000027979236 563053578 /nfs/dbraw/zinc/05/35/78/563053578.db2.gz ZSUBCOMYNQZKKX-HVDVBCGQSA-N 0 0 472.754 6.766 1 0 JKAFRN CCCC/C=C/C/C=C/CCCCCCCC(=O)OC[C@H]1C=C[C@@H](n2cc(C)c(=O)[nH]c2=O)O1 ZINC000027985166 563053716 /nfs/dbraw/zinc/05/37/16/563053716.db2.gz CNKOBTLXVUYXAI-GCXCWSIISA-N 0 0 472.626 5.265 1 0 JKAFRN O=C1NN(C(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000027988928 563053920 /nfs/dbraw/zinc/05/39/20/563053920.db2.gz DFOIEDQSOJASSS-VQTJNVASSA-N 0 0 475.923 5.928 1 0 JKAFRN CCCCC[C@@H](O)/C=C/[C@H]1[C@H](SC[C@@H](O)CCCCC)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC ZINC000028010078 563054770 /nfs/dbraw/zinc/05/47/70/563054770.db2.gz SKJLSSGMCMXZJD-KFIAGNHESA-N 0 0 496.754 6.022 1 0 JKAFRN CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)C(=O)C[C@@H]1SC[C@H](O)CCCCC ZINC000028010081 563054797 /nfs/dbraw/zinc/05/47/97/563054797.db2.gz SKJLSSGMCMXZJD-RGUCGQDYSA-N 0 0 496.754 6.022 1 0 JKAFRN CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)C(=O)C[C@@H]1Sc1cccc(O)c1 ZINC000028013153 563054886 /nfs/dbraw/zinc/05/48/86/563054886.db2.gz IIEJVIAVKIAAHY-QJZAGJODSA-N 0 0 474.663 5.845 1 0 JKAFRN CC(=O)/C=C/C[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000028020953 563055223 /nfs/dbraw/zinc/05/52/23/563055223.db2.gz 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C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@H]1[C@](C)(O)CC[C@@H]2C(C)(C)C(=O)CC[C@]12C)CO ZINC000028094513 563055791 /nfs/dbraw/zinc/05/57/91/563055791.db2.gz DRLJOZRXEKMJSC-LLCOEGNBSA-N 0 0 458.727 7.331 1 0 JKAFRN CCc1c(C)[nH]c(=O)c(N(Cc2ccccc2)Cc2ccccc2)c1Cc1cc(C)cc(C)c1 ZINC000028096467 563055862 /nfs/dbraw/zinc/05/58/62/563055862.db2.gz RRIWJWKQNKLHJR-UHFFFAOYSA-N 0 0 450.626 6.660 1 0 JKAFRN C/C(=C\c1ccc(C(=O)OCCCCc2c[nH]c(=S)[nH]c2=O)cc1)c1ccc2c(c1)CCCC2 ZINC000028095771 563055890 /nfs/dbraw/zinc/05/58/90/563055890.db2.gz NRNAFOJZBBMNKI-KNTRCKAVSA-N 0 0 474.626 6.051 1 0 JKAFRN CCCCN(CC)c1nc(C)nc2c1nc(OC)n2-c1ccc(C(C)C)cc1Br ZINC000028101677 563056048 /nfs/dbraw/zinc/05/60/48/563056048.db2.gz GJKNIAQOFDDUTO-UHFFFAOYSA-N 0 0 460.420 5.645 1 0 JKAFRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 ZINC000028113304 563056573 /nfs/dbraw/zinc/05/65/73/563056573.db2.gz HITQVUQEBFHHBI-SANMLTNESA-N 0 0 471.601 6.052 1 0 JKAFRN O=C1N(c2cccc(O)c2)[C@H](CCc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1c1cccc(O)c1 ZINC000028119925 563056798 /nfs/dbraw/zinc/05/67/98/563056798.db2.gz BHLOBVCFHPPZKS-IDZRBWSNSA-N 0 0 494.591 5.518 1 0 JKAFRN CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5[C@]6(C[C@@]46CC[C@]23C)Cc2cnoc2C5(C)C)O1 ZINC000028126339 563057009 /nfs/dbraw/zinc/05/70/09/563057009.db2.gz KVPMNAZNTGOHOJ-USJUWZEYSA-N 0 0 497.720 5.807 1 0 JKAFRN CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5[C@@]6(C=CC(=O)C5(C)C)C[C@@]46CC[C@]23C)O1 ZINC000028129025 563057128 /nfs/dbraw/zinc/05/71/28/563057128.db2.gz NNZSLTCWKASKGU-QMTZIBJISA-N 0 0 470.694 5.450 1 0 JKAFRN CC(C)[C@@H]1Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O ZINC000028132600 563057414 /nfs/dbraw/zinc/05/74/14/563057414.db2.gz JTZQHJFWRXNBEQ-FQEVSTJZSA-N 0 0 472.437 7.271 1 0 JKAFRN CCCCCCNC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1 ZINC000028135488 563057586 /nfs/dbraw/zinc/05/75/86/563057586.db2.gz HSDHYQYLBBAZAZ-UHFFFAOYSA-N 0 0 461.820 7.686 1 0 JKAFRN CC(C)(C)c1ccc(CO[C@]2(c3ccc(Cl)cc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1 ZINC000028136519 563057603 /nfs/dbraw/zinc/05/76/03/563057603.db2.gz JJHDLPRJRZQFHT-JGCGQSQUSA-N 0 0 496.050 7.711 1 0 JKAFRN Cn1c(=O)c(-c2c(Br)cccc2Br)cc2cnc(Nc3ccccc3)nc21 ZINC000028136208 563057611 /nfs/dbraw/zinc/05/76/11/563057611.db2.gz WTFVCKNWSWWISR-UHFFFAOYSA-N 0 0 486.167 5.264 1 0 JKAFRN C[C@H](c1ccc(Cl)cc1)N(C(=O)/C=C/c1ccccc1)[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000028137047 563057724 /nfs/dbraw/zinc/05/77/24/563057724.db2.gz YGZKZLOWLJRGSJ-YFULZTQESA-N 0 0 453.369 5.823 1 0 JKAFRN COc1ccc([C@H]([C@@H](Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n2ccnc2)cc1 ZINC000028238978 563058612 /nfs/dbraw/zinc/05/86/12/563058612.db2.gz DHVQIAVNTYIIMM-UKILVPOCSA-N 0 0 471.815 7.468 1 0 JKAFRN COc1ccc([C@@H]([C@H](Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n2ccnc2)cc1 ZINC000028238984 563058633 /nfs/dbraw/zinc/05/86/33/563058633.db2.gz DHVQIAVNTYIIMM-NOZRDPDXSA-N 0 0 471.815 7.468 1 0 JKAFRN Clc1ccc(-c2cn(Cc3ccc(Cl)cc3Cl)cc2[C@@H](c2ccccc2)n2ccnc2)cc1 ZINC000028239432 563058668 /nfs/dbraw/zinc/05/86/68/563058668.db2.gz DUJXEBRAPUBHPP-HHHXNRCGSA-N 0 0 492.837 7.998 1 0 JKAFRN COc1ccc([C@H](Cc2ccc(Cl)cc2Cl)[C@@H](c2ccc(OC)cc2)n2ccnc2)cc1 ZINC000028241921 563058740 /nfs/dbraw/zinc/05/87/40/563058740.db2.gz YBNHRMLIPQTUEJ-AZGAKELHSA-N 0 0 467.396 6.823 1 0 JKAFRN COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(OC)c2=O)cc1 ZINC000028244664 563058843 /nfs/dbraw/zinc/05/88/43/563058843.db2.gz QAUNCVISLNGGMW-HHHXNRCGSA-N 0 0 460.570 5.557 1 0 JKAFRN CCCc1cc(OCc2ccccc2)cc(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000028253419 563059029 /nfs/dbraw/zinc/05/90/29/563059029.db2.gz SEEKYKYALFEEOJ-UHFFFAOYSA-N 0 0 477.568 5.275 1 0 JKAFRN CN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1C)C1CCCCC1 ZINC000028330856 563059538 /nfs/dbraw/zinc/05/95/38/563059538.db2.gz KLNDJEQTSONKPV-UHFFFAOYSA-N 0 0 476.835 7.119 1 0 JKAFRN CCc1nc2n(c1C(=O)N(CCC1CC1)CCC(F)(F)F)CCN2c1c(C)cc(C)cc1C ZINC000028332114 563059597 /nfs/dbraw/zinc/05/95/97/563059597.db2.gz ZAKLRUGAEMFPTQ-UHFFFAOYSA-N 0 0 462.560 5.717 1 0 JKAFRN CNS(=O)(=O)c1ccc(COc2cc3c(c(Cl)c2Cl)C(=O)[C@@](C)(C2CCCC2)C3)cc1 ZINC000028339500 563060224 /nfs/dbraw/zinc/06/02/24/563060224.db2.gz COOCAPYLHCVZRA-HSZRJFAPSA-N 0 0 482.429 5.416 1 0 JKAFRN CCCN(Cc1ccc(Cl)cc1)C(=O)c1c(CC)nc2n1CCN2c1c(C)cc(C)cc1C ZINC000028341798 563060443 /nfs/dbraw/zinc/06/04/43/563060443.db2.gz HZQNPHFDBHQWJA-UHFFFAOYSA-N 0 0 465.041 6.228 1 0 JKAFRN O=C1c2c(cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c2Cl)C[C@@H]1C1CCCC1 ZINC000028344778 563060598 /nfs/dbraw/zinc/06/05/98/563060598.db2.gz XMYHKZONDUFBIM-JOCHJYFZSA-N 0 0 498.475 7.805 1 0 JKAFRN C[C@]1(C2CCCC2)Cc2cc(OCc3ccccc3-c3nn[nH]n3)c(Cl)c(Cl)c2C1=O ZINC000028344562 563060661 /nfs/dbraw/zinc/06/06/61/563060661.db2.gz GGHXMSGIIWXUKB-HSZRJFAPSA-N 0 0 457.361 5.688 1 0 JKAFRN COc1ccccc1Sc1ccc(-c2ccnc(N3CCC(CO)CC3)c2)cc1C(F)(F)F ZINC000028347426 563060788 /nfs/dbraw/zinc/06/07/88/563060788.db2.gz RLTHAIWBVZSQOO-UHFFFAOYSA-N 0 0 474.548 6.136 1 0 JKAFRN CCCC1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028348340 563060889 /nfs/dbraw/zinc/06/08/89/563060889.db2.gz NFSWGNKHBBJOLN-UHFFFAOYSA-N 0 0 498.658 9.059 1 0 JKAFRN CCCN(CCC)c1ccc(NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1 ZINC000028350517 563061066 /nfs/dbraw/zinc/06/10/66/563061066.db2.gz NJIMPMONTLMOKU-NDEPHWFRSA-N 0 0 465.638 5.561 1 0 JKAFRN CCc1nc2n(c1C(=O)N(CC1CC1)CC(F)(F)F)CCN2c1c(C)cc(C)cc1Br ZINC000028351460 563061078 /nfs/dbraw/zinc/06/10/78/563061078.db2.gz VUGGREOGOSQFSN-UHFFFAOYSA-N 0 0 499.375 5.391 1 0 JKAFRN O[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1 ZINC000028352158 563061124 /nfs/dbraw/zinc/06/11/24/563061124.db2.gz OZDIXXYNNZCRMU-QGZVFWFLSA-N 0 0 474.504 5.261 1 0 JKAFRN CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)cc1C(F)(F)F ZINC000028352384 563061163 /nfs/dbraw/zinc/06/11/63/563061163.db2.gz KMZGVJHSOHMQRG-UHFFFAOYSA-N 0 0 499.602 6.744 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@@]2(N(C)C(=O)OCC(C)C)CCc3ccccc3C2)cc1 ZINC000028356477 563061454 /nfs/dbraw/zinc/06/14/54/563061454.db2.gz DOVXQUAGALMYIX-HHHXNRCGSA-N 0 0 451.611 5.123 1 0 JKAFRN CCCN(CC1CC1)C(=O)c1c(CC)nc2n1CCN2c1ccc(C(C)C)cc1Br ZINC000028355981 563061466 /nfs/dbraw/zinc/06/14/66/563061466.db2.gz AHFGQJRGKXTSDO-UHFFFAOYSA-N 0 0 473.459 5.745 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)c2c(CCCO)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000028361455 563061751 /nfs/dbraw/zinc/06/17/51/563061751.db2.gz OVMIYQOFRFRTAP-UHFFFAOYSA-N 0 0 462.377 5.672 1 0 JKAFRN Cc1cc2c(cc1C)N(CCOc1ccc(C=C3SC(=O)NC3=O)cc1)[C@@H](c1ccccc1)C(=O)N2 ZINC000028361641 563061753 /nfs/dbraw/zinc/06/17/53/563061753.db2.gz GXDAIGUCCNZKCK-WWNGRIQCSA-N 0 0 499.592 5.206 1 0 JKAFRN COc1ccc2c(c1)CC[C@@H]([C@@H]1CC[C@H](OC(C)=O)[C@@]1(C)CC(=O)NCCCc1ccccc1)C2 ZINC000028361310 563061777 /nfs/dbraw/zinc/06/17/77/563061777.db2.gz JRKPPDALJKZCJG-DSSYMDFGSA-N 0 0 477.645 5.287 1 0 JKAFRN 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NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000029127186 563095501 /nfs/dbraw/zinc/09/55/01/563095501.db2.gz UAEWBZYTKIMYRQ-UHFFFAOYSA-N 0 0 450.804 5.289 1 0 in-man JKAFRN COc1ccc(-c2cc(Cl)nc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1OC ZINC000029127917 563095926 /nfs/dbraw/zinc/09/59/26/563095926.db2.gz LPHXFTMNTFJRTL-UHFFFAOYSA-N 0 0 489.963 5.261 1 0 JKAFRN O=S(=O)(c1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)c1cccn(O)c1=S ZINC000029128608 563096322 /nfs/dbraw/zinc/09/63/22/563096322.db2.gz FGVRDWMLTSAQAQ-UHFFFAOYSA-N 0 0 464.568 5.643 1 0 JKAFRN COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1OC ZINC000029128705 563096423 /nfs/dbraw/zinc/09/64/23/563096423.db2.gz WSUTXRDTDZOERV-MHZLTWQESA-N 0 0 462.549 6.362 1 0 JKAFRN COc1cc(OC)c([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)c(OC)c1 ZINC000029128654 563096434 /nfs/dbraw/zinc/09/64/34/563096434.db2.gz QTXJZJZOAMAASP-HHHXNRCGSA-N 0 0 492.575 6.371 1 0 JKAFRN COc1cc(OC)c([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)c(OC)c1 ZINC000029128653 563096444 /nfs/dbraw/zinc/09/64/44/563096444.db2.gz QTXJZJZOAMAASP-MHZLTWQESA-N 0 0 492.575 6.371 1 0 JKAFRN CCC(O)(CC)CCCS[C@@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128794 563096515 /nfs/dbraw/zinc/09/65/15/563096515.db2.gz QZWWZSFUNUTAKT-KMUAWLOTSA-N 0 0 462.740 6.334 1 0 JKAFRN CCC(O)(CC)CCCS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128795 563096560 /nfs/dbraw/zinc/09/65/60/563096560.db2.gz QZWWZSFUNUTAKT-GFOGSRJLSA-N 0 0 462.740 6.334 1 0 JKAFRN COc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC ZINC000029131950 563097253 /nfs/dbraw/zinc/09/72/53/563097253.db2.gz PATVTQBKZZSIBN-UHFFFAOYSA-N 0 0 495.885 6.084 1 0 JKAFRN Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000029132113 563097289 /nfs/dbraw/zinc/09/72/89/563097289.db2.gz POUGLPNJDDXLLH-UHFFFAOYSA-N 0 0 473.804 7.077 1 0 JKAFRN CCOC(=O)c1c(N)sc(-c2ccc(-c3ccncc3)cc2)c1-c1cccc(C(F)(F)F)c1 ZINC000029132347 563097312 /nfs/dbraw/zinc/09/73/12/563097312.db2.gz UMFQKHFXESPVQU-UHFFFAOYSA-N 0 0 468.500 6.922 1 0 JKAFRN COc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)cc1Cl ZINC000029132655 563097367 /nfs/dbraw/zinc/09/73/67/563097367.db2.gz HLWNABZKZFVELA-UHFFFAOYSA-N 0 0 470.278 6.720 1 0 JKAFRN Cc1cccc2c1N(Cc1ccccc1)C(=O)[C@@H](Cc1cn(Cc3ccccc3)c3ccccc13)NC2=O ZINC000029133414 563097540 /nfs/dbraw/zinc/09/75/40/563097540.db2.gz AZKFUYPRWRRXSX-GDLZYMKVSA-N 0 0 499.614 5.886 1 0 JKAFRN C[C@@H]1CC(=O)c2c3oc(=O)cc(CCC(F)(F)F)c3c3c(c2O1)C=C[C@@H](c1ccccc1)O3 ZINC000029133086 563097546 /nfs/dbraw/zinc/09/75/46/563097546.db2.gz PKSSEKONZVRQSR-ACJLOTCBSA-N 0 0 456.416 5.789 1 0 JKAFRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(Cc2ccc3ccccc3c2)c2cc(Cl)ccc21 ZINC000029133242 563097557 /nfs/dbraw/zinc/09/75/57/563097557.db2.gz KYBZSOAEPBZBSJ-SANMLTNESA-N 0 0 479.967 5.862 1 0 JKAFRN 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LYGUFQRHLYGOHA-DQEYMECFSA-N 0 0 482.001 5.625 3 0 JKAFRN CCOC(=O)C1=C[C@@H](C(C)(C)C)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1Cl ZINC000034131318 563112164 /nfs/dbraw/zinc/11/21/64/563112164.db2.gz HQVNTVPKMINWNF-VXKWHMMOSA-N 0 0 462.011 5.298 3 0 JKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C(=O)OC)cc1 ZINC000034148321 563112265 /nfs/dbraw/zinc/11/22/65/563112265.db2.gz CPGUUWWAHUUTRH-MJMFVBGUSA-N 0 0 491.653 6.686 1 0 JKAFRN CO[C@H]1ON=C(c2c(C)cc(C)cc2C)[C@@H]1[C@]1(c2ccccc2)ON=C(c2c(C)cc(C)cc2C)O1 ZINC000034172449 563112353 /nfs/dbraw/zinc/11/23/53/563112353.db2.gz ZEGNMCBSSKCCIS-NSGJQZOKSA-N 0 0 484.596 6.122 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000034176929 563112428 /nfs/dbraw/zinc/11/24/28/563112428.db2.gz CNXHSGKYYXSHMP-HTAPYJJXSA-N 0 0 490.953 6.442 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000034177074 563112437 /nfs/dbraw/zinc/11/24/37/563112437.db2.gz 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/nfs/dbraw/zinc/11/28/05/563112805.db2.gz PKGWJFNRGGGBJB-JOCHJYFZSA-N 0 0 482.340 6.069 1 0 JKAFRN CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)nc1Nc1ccc(C)cc1 ZINC000034443614 563113613 /nfs/dbraw/zinc/11/36/13/563113613.db2.gz GBIPGGWXECTGIU-UHFFFAOYSA-N 0 0 477.391 7.951 1 0 JKAFRN CCCCCCOc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000034445386 563113667 /nfs/dbraw/zinc/11/36/67/563113667.db2.gz GMQPLHKAKMFEDA-UHFFFAOYSA-N 0 0 450.619 7.720 1 0 JKAFRN C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@]12CC[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)O2 ZINC000034542063 563113824 /nfs/dbraw/zinc/11/38/24/563113824.db2.gz QITDIIMEVNRCKY-YDAHQQQXSA-N 0 0 488.709 6.200 1 0 JKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000034601673 563113959 /nfs/dbraw/zinc/11/39/59/563113959.db2.gz XBXOIGGIJQMJBM-HKFAFNEWSA-N 0 0 458.727 6.112 1 0 JKAFRN COCCn1c(-c2ccc(C(C)C)cc2)nc2c1c(OC)cc(Cc1ccccc1)c2Br ZINC000034587740 563113982 /nfs/dbraw/zinc/11/39/82/563113982.db2.gz ITMDGJIXLCJJCL-UHFFFAOYSA-N 0 0 493.445 6.835 1 0 JKAFRN C[NH+](C)CC(=O)N1CCn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(F)cc2C1 ZINC000034637648 563114214 /nfs/dbraw/zinc/11/42/14/563114214.db2.gz RNOHOFGYBHYYMR-UHFFFAOYSA-N 0 0 477.580 5.097 1 0 JKAFRN Cc1ccc(Cl)cc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C ZINC000034663031 563114607 /nfs/dbraw/zinc/11/46/07/563114607.db2.gz ITLNVPRPOQCABR-UHFFFAOYSA-N 0 0 487.007 5.093 1 0 JKAFRN CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)NCc3ccccn3)CS[C@H]2c2cccc(F)c2)cc1 ZINC000034705109 563114706 /nfs/dbraw/zinc/11/47/06/563114706.db2.gz WAUKAQAVXNKWTO-BVAGGSTKSA-N 0 0 477.605 5.091 1 0 JKAFRN Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000034790846 563115056 /nfs/dbraw/zinc/11/50/56/563115056.db2.gz SOLCZUBPADGMSF-UHFFFAOYSA-N 0 0 469.936 5.355 1 0 JKAFRN C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1 ZINC000034801495 563115439 /nfs/dbraw/zinc/11/54/39/563115439.db2.gz HZIAGMGEVJWTHO-KRWDZBQOSA-N 0 0 454.728 7.147 1 0 JKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)C[C@@]21C ZINC000034802066 563115949 /nfs/dbraw/zinc/11/59/49/563115949.db2.gz AYRNVJILBDPLJZ-FMHBTXFXSA-N 0 0 492.659 7.016 1 0 JKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3c(F)cc(OC)cc3OC)C[C@@]21C ZINC000034802068 563115968 /nfs/dbraw/zinc/11/59/68/563115968.db2.gz RXOGVAGGTAGMEV-ZYISVJEGSA-N 0 0 464.577 5.497 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3[C@@H](O)CCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12 ZINC000034802915 563116206 /nfs/dbraw/zinc/11/62/06/563116206.db2.gz KAJYQUVFKMZXJZ-GKHUHNDBSA-N 0 0 471.519 5.755 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cc(Cl)ccc4Cl)cn3)[C@H]12 ZINC000034802904 563116232 /nfs/dbraw/zinc/11/62/32/563116232.db2.gz WDFOUPJHFKUMCX-CAQLRORISA-N 0 0 472.412 6.043 1 0 JKAFRN O=C1NC(=O)c2c1c1c(cc2-c2c(Br)cccc2Br)[nH]c2ccc(O)cc21 ZINC000034804185 563116426 /nfs/dbraw/zinc/11/64/26/563116426.db2.gz COENUILCVLUMIG-UHFFFAOYSA-N 0 0 486.119 5.102 1 0 JKAFRN CC(C)(C)NC(=O)[C@@]1(C)CCC(=O)N1CCCCCCNc1ccnc2cc(Cl)ccc21 ZINC000034886794 563117404 /nfs/dbraw/zinc/11/74/04/563117404.db2.gz KYKMHFVSLSYMMG-RUZDIDTESA-N 0 0 459.034 5.156 1 0 JKAFRN CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1c(Cl)cccc1Cl ZINC000034891869 563117412 /nfs/dbraw/zinc/11/74/12/563117412.db2.gz IXBDBXPZEULAMQ-QGZVFWFLSA-N 0 0 456.313 5.367 1 0 JKAFRN CC[C@@H](C)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000034944111 563117608 /nfs/dbraw/zinc/11/76/08/563117608.db2.gz JVJKFPFGNSGOIP-LJQANCHMSA-N 0 0 491.463 5.360 1 0 JKAFRN CCCCCCN1C(=O)C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC=C[C@@H]1C(C)C ZINC000034960815 563117649 /nfs/dbraw/zinc/11/76/49/563117649.db2.gz YESJQHSUFWUGDR-MUAVYFROSA-N 0 0 488.672 6.677 3 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CNC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034986699 563117898 /nfs/dbraw/zinc/11/78/98/563117898.db2.gz LAZKKOQEAVOWIR-MLKSZZLFSA-N 0 0 486.660 5.655 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CC(=O)NCCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987277 563118028 /nfs/dbraw/zinc/11/80/28/563118028.db2.gz BOGWASIPTJVFFS-MFMCTBQISA-N 0 0 485.672 5.734 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CNC(=O)N[C@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987059 563118044 /nfs/dbraw/zinc/11/80/44/563118044.db2.gz LAZKKOQEAVOWIR-XTBZXYEFSA-N 0 0 486.660 5.655 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)N[C@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987057 563118048 /nfs/dbraw/zinc/11/80/48/563118048.db2.gz LAZKKOQEAVOWIR-KEKPKEOLSA-N 0 0 486.660 5.655 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CC(=O)NCCSC(C)(C)C)c1ccccc1)C(C)C ZINC000034987381 563118099 /nfs/dbraw/zinc/11/80/99/563118099.db2.gz WENRLSGTPKHYKG-AOYPEHQESA-N 0 0 483.722 5.632 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987382 563118121 /nfs/dbraw/zinc/11/81/21/563118121.db2.gz GOUOEOKNDSCSBS-YTMVLYRLSA-N 0 0 471.645 5.343 1 0 JKAFRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2Br)c2ccccc12 ZINC000035002894 563118175 /nfs/dbraw/zinc/11/81/75/563118175.db2.gz GCTZZXLQDKTDKY-UHFFFAOYSA-N 0 0 483.391 5.231 1 0 JKAFRN CNc1ncc2cc(-c3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4C)ccc3C)ccc2n1 ZINC000035049809 563118373 /nfs/dbraw/zinc/11/83/73/563118373.db2.gz DEPQMFLVQJEMPL-UHFFFAOYSA-N 0 0 484.909 6.880 1 0 JKAFRN O=C1c2ccccc2[C@@](OCCOc2ccccc2O)(c2ccccc2)N1Cc1ccccc1 ZINC000035064195 563118608 /nfs/dbraw/zinc/11/86/08/563118608.db2.gz ZRHMXIYIKZKCKW-LJAQVGFWSA-N 0 0 451.522 5.345 1 0 JKAFRN CCCN1C(=O)c2ccccc2[C@]1(OCCNC(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1 ZINC000035064419 563118630 /nfs/dbraw/zinc/11/86/30/563118630.db2.gz MEWMUCHHODRMAC-SSEXGKCCSA-N 0 0 486.612 5.203 1 0 JKAFRN CC(C)(C)c1ccc(CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2CCc2c[nH]cn2)cc1 ZINC000035064358 563118703 /nfs/dbraw/zinc/11/87/03/563118703.db2.gz BUZRFRDGCQIKFD-SSEXGKCCSA-N 0 0 465.597 5.824 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035079272 563118879 /nfs/dbraw/zinc/11/88/79/563118879.db2.gz WADFFGDAIJGNFH-MHECFPHRSA-N 0 0 456.413 6.682 1 0 JKAFRN CCCCCN(CCCCC)S(=O)(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000035079701 563118961 /nfs/dbraw/zinc/11/89/61/563118961.db2.gz KDFSCKYMWHTXNH-MASCHLQQSA-N 0 0 491.738 6.561 1 0 JKAFRN O=C1CCS[C@@H](c2c(Cl)cccc2Cl)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091183 563119184 /nfs/dbraw/zinc/11/91/84/563119184.db2.gz KEQMHUYITHZRJK-QFIPXVFZSA-N 0 0 480.848 6.661 1 0 JKAFRN O=C1CCS[C@H](c2c(Cl)cccc2Cl)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091113 563119203 /nfs/dbraw/zinc/11/92/03/563119203.db2.gz FBRYGPCPXKLTFL-OAQYLSRUSA-N 0 0 466.821 6.271 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)C(C)C)c1 ZINC000035095844 563119226 /nfs/dbraw/zinc/11/92/26/563119226.db2.gz LACNNWRUQCWIDK-IBGZPJMESA-N 0 0 454.014 6.162 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1cccc(F)c1)c2NC(C)(C)CC(C)(C)C ZINC000035191159 563119315 /nfs/dbraw/zinc/11/93/15/563119315.db2.gz MYGOZWPGWNPTMH-UHFFFAOYSA-N 0 0 473.592 7.295 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1ccccc1C)c2NC(C)(C)CC(C)(C)C ZINC000035108224 563119324 /nfs/dbraw/zinc/11/93/24/563119324.db2.gz FPVUMVTUHVNLDG-UHFFFAOYSA-N 0 0 469.629 7.464 1 0 JKAFRN CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/c2ccc(C(F)(F)F)cc2)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000035242329 563119379 /nfs/dbraw/zinc/11/93/79/563119379.db2.gz SIQZXLLBFODANE-ALQGPFDVSA-N 0 0 472.547 6.337 1 0 JKAFRN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(C(=O)NCc2ccco2)c1 ZINC000035323167 563119915 /nfs/dbraw/zinc/11/99/15/563119915.db2.gz IWTHJHIARIDUMT-UHFFFAOYSA-N 0 0 484.596 5.695 1 0 JKAFRN CC(C)c1nc2c(c(C3CCCCC3)c1[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC(C)(C)C2 ZINC000035802255 563120379 /nfs/dbraw/zinc/12/03/79/563120379.db2.gz LKISIMKAWPWFFM-OFVILXPXSA-N 0 0 477.586 8.336 1 0 JKAFRN Nc1cccc(Cn2c(-c3ccc(Oc4cncnc4)cc3)ccc2-c2ccccc2Cl)n1 ZINC000035820899 563120483 /nfs/dbraw/zinc/12/04/83/563120483.db2.gz MNZJYJDKCYJKMU-UHFFFAOYSA-N 0 0 453.933 6.083 1 0 in-vitro JKAFRN Nc1cccc(Cn2c(-c3ccc(Oc4ccncc4)cc3)ccc2-c2ccccc2Cl)n1 ZINC000035850035 563120685 /nfs/dbraw/zinc/12/06/85/563120685.db2.gz FMDGWGCVQHGFLG-UHFFFAOYSA-N 0 0 452.945 6.688 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000035862850 563120970 /nfs/dbraw/zinc/12/09/70/563120970.db2.gz FHERKDAGTCJXFZ-UHFFFAOYSA-N 0 0 469.825 6.000 1 0 JKAFRN C[C@H](CC[C@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902962 563121126 /nfs/dbraw/zinc/12/11/26/563121126.db2.gz DHGMYNLRIYMOGS-JQNQFYQHSA-N 0 0 470.694 6.050 1 0 in-vitro JKAFRN C[C@H](CC[C@H]1O[C@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902960 563121142 /nfs/dbraw/zinc/12/11/42/563121142.db2.gz DHGMYNLRIYMOGS-SIKGAPLHSA-N 0 0 470.694 6.050 1 0 in-vitro JKAFRN CC(=O)c1cc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccc(F)cc3)CCN2C(C)=O)cc(C(C)=O)c1 ZINC000036093272 563122203 /nfs/dbraw/zinc/12/22/03/563122203.db2.gz ZZJGNQRWIXQQDJ-CUNXSJBXSA-N 0 0 495.595 5.002 1 0 JKAFRN CON(C)Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161099 563123041 /nfs/dbraw/zinc/12/30/41/563123041.db2.gz GIKOBZICQZRAHC-IBGZPJMESA-N 0 0 467.548 5.742 1 0 JKAFRN CCCC(CCC)CCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCC(CCC)CCC)O2)O1 ZINC000036177353 563123289 /nfs/dbraw/zinc/12/32/89/563123289.db2.gz OHDLANLNZSXUNZ-VHNXJUCRSA-N 0 0 482.790 7.577 1 0 JKAFRN CCCC[C@H](CC)CCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCC[C@@H](CC)CCCC)O2)O1 ZINC000036177397 563123397 /nfs/dbraw/zinc/12/33/97/563123397.db2.gz OPEOKUVYFKNDIO-UDNHBNEUSA-N 0 0 482.790 7.577 1 0 JKAFRN CCCC[C@@H](CC)CCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCC[C@@H](CC)CCCC)O2)O1 ZINC000036177394 563123418 /nfs/dbraw/zinc/12/34/18/563123418.db2.gz OPEOKUVYFKNDIO-MHLXCENESA-N 0 0 482.790 7.577 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3cnc4ccccc4c3)c3ccccc32)CC1 ZINC000036188196 563123934 /nfs/dbraw/zinc/12/39/34/563123934.db2.gz AIHMNABLEMTJJF-UHFFFAOYSA-N 0 0 497.002 5.010 1 0 JKAFRN CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(Nc2ccc(N3CCOCC3)cc2)ncn1 ZINC000036187627 563123947 /nfs/dbraw/zinc/12/39/47/563123947.db2.gz YQNRSQLPDDKNGW-UHFFFAOYSA-N 0 0 473.364 5.032 1 0 JKAFRN COc1ccc(N(C(=O)C(C)C)[C@H]2CC[C@@H]3[C@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)cc1 ZINC000036189635 563124021 /nfs/dbraw/zinc/12/40/21/563124021.db2.gz RVWWYYYXZGBXRH-MYGYILDCSA-N 0 0 480.693 5.916 1 0 JKAFRN CCCC[C@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222161 563124464 /nfs/dbraw/zinc/12/44/64/563124464.db2.gz UAMNNIIFIXKFSF-MHZLTWQESA-N 0 0 480.616 6.241 1 0 JKAFRN CCC[C@@H]1N(CC)c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222163 563124544 /nfs/dbraw/zinc/12/45/44/563124544.db2.gz QRGIZRSQVJMTOL-RUZDIDTESA-N 0 0 452.562 5.142 1 0 JKAFRN O=S(=O)(c1ccccc1-c1cccc2ccccc21)N1CCC(CCc2ccc(F)cc2F)CC1 ZINC000036270442 563125180 /nfs/dbraw/zinc/12/51/80/563125180.db2.gz XMDQSAJIVSKCKY-UHFFFAOYSA-N 0 0 491.603 6.819 1 0 JKAFRN Cc1c(C(=O)N[C@H](C)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000036294741 563125587 /nfs/dbraw/zinc/12/55/87/563125587.db2.gz XRRLMBGHPWORJQ-CQSZACIVSA-N 0 0 450.797 6.582 1 0 JKAFRN Cc1cc(C)cc(/C(F)=C2/CC[C@@H](NC(=O)c3ccnc4ccccc43)C[C@@H]2Cc2ccccc2)c1 ZINC000036323811 563125770 /nfs/dbraw/zinc/12/57/70/563125770.db2.gz WSCXFZWPQPJUAS-MNUKNTEPSA-N 0 0 478.611 7.374 1 0 JKAFRN COC(=O)N[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000036324230 563125771 /nfs/dbraw/zinc/12/57/71/563125771.db2.gz ZLUBYOYFKPXERH-GBESFXJTSA-N 0 0 461.402 5.912 1 0 JKAFRN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1 ZINC000036351878 563127231 /nfs/dbraw/zinc/12/72/31/563127231.db2.gz ZAYSVOFFPKLBAE-UHFFFAOYSA-N 0 0 453.508 6.204 1 0 JKAFRN CCOC(=O)CCCC(=O)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379114 563127360 /nfs/dbraw/zinc/12/73/60/563127360.db2.gz YNKFFBATAPFPBH-DEOSSOPVSA-N 0 0 467.525 5.588 3 0 JKAFRN O=C(CCc1ccccc1)Nc1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379110 563127366 /nfs/dbraw/zinc/12/73/66/563127366.db2.gz SCHCMPUNTUROOZ-SANMLTNESA-N 0 0 457.533 6.487 3 0 JKAFRN CCOC(=O)CCCC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379115 563127385 /nfs/dbraw/zinc/12/73/85/563127385.db2.gz YNKFFBATAPFPBH-XMMPIXPASA-N 0 0 467.525 5.588 3 0 JKAFRN COC(=O)[C@@H]1CCc2sc(NC(=O)Cc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c21 ZINC000036380256 563127611 /nfs/dbraw/zinc/12/76/11/563127611.db2.gz XPNJYRXGYPZKQZ-QGZVFWFLSA-N 0 0 468.962 5.038 1 0 JKAFRN O=C(NCCCc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381434 563127699 /nfs/dbraw/zinc/12/76/99/563127699.db2.gz GPDDPZSDLKFTKG-UHFFFAOYSA-N 0 0 484.463 5.538 3 0 JKAFRN CC1=C[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000036381935 563127854 /nfs/dbraw/zinc/12/78/54/563127854.db2.gz ADOMWOMIJRCKAG-SZNDQCEHSA-N 0 0 477.196 5.709 1 0 JKAFRN CC(=O)c1csc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)c1 ZINC000036382346 563127937 /nfs/dbraw/zinc/12/79/37/563127937.db2.gz OJWRNSNHKJXRNP-UHFFFAOYSA-N 0 0 450.007 7.330 3 0 JKAFRN CC(C)(C)[C@H]1CCC(=O)N([C@H](CSc2ccc(Br)cc2)Cc2ccccc2)CC1 ZINC000036382959 563128230 /nfs/dbraw/zinc/12/82/30/563128230.db2.gz ZSBAOHIXGXBLAV-UNMCSNQZSA-N 0 0 474.508 6.827 3 0 JKAFRN COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384340 563128475 /nfs/dbraw/zinc/12/84/75/563128475.db2.gz ZMWCVRPAEFVCHH-HNAYVOBHSA-N 0 0 488.934 5.047 3 0 JKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13CC(=O)N(Cc4ccc(OC)cc4)[C@@](C)(CC[C@H]12)C3 ZINC000036387948 563129326 /nfs/dbraw/zinc/12/93/26/563129326.db2.gz UCELPMARSSWDIG-DEVKDPKBSA-N 0 0 467.650 5.752 3 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@@H]2C=CC[C@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388448 563129485 /nfs/dbraw/zinc/12/94/85/563129485.db2.gz MFBLBMJTQWVGJV-PATLUPQASA-N 0 0 465.593 6.477 1 0 JKAFRN COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036388480 563129498 /nfs/dbraw/zinc/12/94/98/563129498.db2.gz RDDNHRDPZTZBEJ-BKMJKUGQSA-N 0 0 488.534 5.705 3 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388520 563129502 /nfs/dbraw/zinc/12/95/02/563129502.db2.gz ZZQBCHQXCYNDJC-IBVKSMDESA-N 0 0 458.533 5.005 3 0 JKAFRN COc1cccc(-c2c3cc(Br)ccc3n(C)c2-c2cc(OC)cc(OC)c2)c1 ZINC000036388649 563129549 /nfs/dbraw/zinc/12/95/49/563129549.db2.gz AWLWDTYVLSAJSS-UHFFFAOYSA-N 0 0 452.348 6.301 3 0 JKAFRN CCOC(=O)c1ccc(-c2c3cc(OC)c(OC)cc3c(=O)oc2-c2ccc(OC)cc2)cc1F ZINC000036388724 563129649 /nfs/dbraw/zinc/12/96/49/563129649.db2.gz PHWWIQWRYGEINM-UHFFFAOYSA-N 0 0 478.472 5.469 3 0 JKAFRN COCc1ccc(-c2c3cc(OC)c(OC)cc3c(=O)oc2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388725 563129651 /nfs/dbraw/zinc/12/96/51/563129651.db2.gz MJKBHQOORNMAKE-UHFFFAOYSA-N 0 0 462.498 5.308 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)c1 ZINC000036388818 563129654 /nfs/dbraw/zinc/12/96/54/563129654.db2.gz PQIVNSFEDBGMLL-UHFFFAOYSA-N 0 0 464.590 7.739 3 0 JKAFRN COc1cc(OC)cc(-c2oc(=O)c3cc(OC)c(OC)cc3c2/C=C/c2ccc(F)cc2)c1 ZINC000036388779 563129665 /nfs/dbraw/zinc/12/96/65/563129665.db2.gz DOXPPSZYSLQJJN-JXMROGBWSA-N 0 0 462.473 5.804 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc5c(c4)OCO5)ccc3n2C)c1 ZINC000036388839 563129672 /nfs/dbraw/zinc/12/96/72/563129672.db2.gz ZUMCBXCKIBZYLL-UHFFFAOYSA-N 0 0 469.562 6.987 3 0 JKAFRN O=C(N[C@@]1(Cc2ccccc2)CCN(Cc2ccc(-c3ccccc3)cc2)C1=O)c1ccccc1 ZINC000036389152 563129822 /nfs/dbraw/zinc/12/98/22/563129822.db2.gz HRSHJOAPWPEGFQ-WJOKGBTCSA-N 0 0 460.577 5.497 3 0 JKAFRN Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(Cc3ccc(Cl)cc3)CC(=O)N12 ZINC000036389061 563129837 /nfs/dbraw/zinc/12/98/37/563129837.db2.gz VDANWUIZWUZMIF-CHRXXPTBSA-N 0 0 486.999 5.125 3 0 JKAFRN CC(=O)Oc1cc(O)cc(CCCCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 ZINC000036413719 563130084 /nfs/dbraw/zinc/13/00/84/563130084.db2.gz CATXXSJNZBRPTC-IHWYPQMZSA-N 0 0 482.661 7.751 1 0 JKAFRN COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000036473575 563130285 /nfs/dbraw/zinc/13/02/85/563130285.db2.gz MRFLNAJRPHKGLY-KRWDZBQOSA-N 0 0 487.194 6.119 1 0 JKAFRN CCC(O)(CC)CS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]12C ZINC000036479141 563130504 /nfs/dbraw/zinc/13/05/04/563130504.db2.gz PIRFBNFXEQEXIT-FEWSNUALSA-N 0 0 476.723 5.083 1 0 JKAFRN Clc1ccccc1COc1cccc(-c2c(Cc3ccccc3)nnc3c(Cl)cccc32)c1 ZINC000036479671 563130508 /nfs/dbraw/zinc/13/05/08/563130508.db2.gz PGMONDSMQYHMDO-UHFFFAOYSA-N 0 0 471.387 7.773 1 0 JKAFRN COc1cc2nccc(Oc3ccc(-c4cnc(Cc5ccccc5)[nH]c4=O)cc3F)c2cc1OC ZINC000036488964 563130596 /nfs/dbraw/zinc/13/05/96/563130596.db2.gz VFNQFMVWZBQRKK-UHFFFAOYSA-N 0 0 483.499 5.525 1 0 JKAFRN COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc21 ZINC000036488267 563130609 /nfs/dbraw/zinc/13/06/09/563130609.db2.gz UXQLMVSZSYZFID-UHFFFAOYSA-N 0 0 458.396 5.628 1 0 JKAFRN COC(=O)[C@H]1CCc2sc(NC(=O)Cc3ccccc3)c(C(=O)Nc3ccc(Cl)cc3)c21 ZINC000038141950 563131220 /nfs/dbraw/zinc/13/12/20/563131220.db2.gz XPNJYRXGYPZKQZ-KRWDZBQOSA-N 0 0 468.962 5.038 1 0 JKAFRN COc1cc2c(c(OC)c1OC)[C@]1(c3ccccc3)CCCCC[C@@H]1[C@@H]2NC(=O)C(F)(F)F ZINC000038142334 563131360 /nfs/dbraw/zinc/13/13/60/563131360.db2.gz FLVHDWAJCGSXPK-PWAGRJGVSA-N 0 0 463.496 5.312 1 0 JKAFRN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3c2c(=N)ncn3CCc2ccccc2)cc1OC ZINC000038142908 563131460 /nfs/dbraw/zinc/13/14/60/563131460.db2.gz AKNYOSDSMVKUCT-MHZLTWQESA-N 0 0 489.575 6.062 1 0 JKAFRN COc1ccc(-n2cnc3c(c2=N)[C@@H](c2cccc(OC)c2)c2c(ccc4ccccc42)O3)cc1 ZINC000038142923 563131550 /nfs/dbraw/zinc/13/15/50/563131550.db2.gz LBWFBOVUIJQYBK-VWLOTQADSA-N 0 0 461.521 5.808 1 0 JKAFRN COc1cccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cccc(Cl)c4)c(=N)c32)c1 ZINC000038142925 563131556 /nfs/dbraw/zinc/13/15/56/563131556.db2.gz FTKWPBYVBHCMPQ-XMMPIXPASA-N 0 0 465.940 6.453 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@H](COCc1ccccc1)c1ccccc1 ZINC000038149606 563131959 /nfs/dbraw/zinc/13/19/59/563131959.db2.gz DHVMIPXODCJNOG-HSZRJFAPSA-N 0 0 497.479 6.783 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000038149619 563132014 /nfs/dbraw/zinc/13/20/14/563132014.db2.gz PDENOBIOQDVWAN-LJQANCHMSA-N 0 0 497.863 5.957 1 0 JKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCOCC3)cc2c1 ZINC000038149684 563132094 /nfs/dbraw/zinc/13/20/94/563132094.db2.gz QUPILHSZFLDDLG-UHFFFAOYSA-N 0 0 494.041 5.815 1 0 JKAFRN CCCC[C@@H]1C[C@H]1[C@H](NS(=O)(=O)c1cccc2cccnc21)c1ccc(-c2ccccc2)cc1 ZINC000038179213 563133007 /nfs/dbraw/zinc/13/30/07/563133007.db2.gz NNNOOGURLHKTET-STROYTFGSA-N 0 0 470.638 6.748 1 0 JKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179253 563133101 /nfs/dbraw/zinc/13/31/01/563133101.db2.gz AITUAUVSCWZPOZ-NSKACUHBSA-N 0 0 483.552 6.038 1 0 JKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(=O)OC)cc1 ZINC000038179251 563133118 /nfs/dbraw/zinc/13/31/18/563133118.db2.gz YVPSTKIPTCVPFJ-NSKACUHBSA-N 0 0 450.000 5.673 1 0 JKAFRN COc1ccc(/C=C2\CC[C@H](C)[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000038185056 563133122 /nfs/dbraw/zinc/13/31/22/563133122.db2.gz ZKOZLCONQCFUCC-LJFTUDPYSA-N 0 0 498.623 6.768 1 0 JKAFRN CCC(=O)N1CCC[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000038232535 563133461 /nfs/dbraw/zinc/13/34/61/563133461.db2.gz LEYRPDALVKRUEV-ZVQQOYOKSA-N 0 0 459.715 5.406 1 0 JKAFRN CC(=O)O[C@H]1S[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000038300543 563133761 /nfs/dbraw/zinc/13/37/61/563133761.db2.gz PYYNNAZSZNYELP-BPXGVECKSA-N 0 0 478.610 5.379 1 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1 ZINC000038310762 563133799 /nfs/dbraw/zinc/13/37/99/563133799.db2.gz ACDXMPQSFVRESB-IBGZPJMESA-N 0 0 491.988 6.062 1 0 JKAFRN COc1cc2nccc(Oc3ccc4ccc(C(=O)Nc5cccnc5)cc4c3)c2cc1OC ZINC000038335557 563133863 /nfs/dbraw/zinc/13/38/63/563133863.db2.gz BWLFAZZPGLGRNF-UHFFFAOYSA-N 0 0 451.482 5.845 1 0 JKAFRN CC[C@@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)cn(C)c2=O)CC[C@H]1C ZINC000038563012 563135028 /nfs/dbraw/zinc/13/50/28/563135028.db2.gz FVYDVAOTXPELMH-CMNBSPCESA-N 0 0 453.623 6.338 1 0 JKAFRN NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000038576331 563135112 /nfs/dbraw/zinc/13/51/12/563135112.db2.gz ZEJMWWLZBCGZTR-UHFFFAOYSA-N 0 0 477.895 5.526 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000038658651 563135200 /nfs/dbraw/zinc/13/52/00/563135200.db2.gz VQOOAQMFUGGWKX-VGSWGCGISA-N 0 0 457.401 6.077 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000038660507 563135203 /nfs/dbraw/zinc/13/52/03/563135203.db2.gz QJXZQIYIFNIJIO-JGCGQSQUSA-N 0 0 478.611 6.282 1 0 JKAFRN CC(=O)Nc1c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2oc1C(=O)C(C)(C)C ZINC000038660702 563135216 /nfs/dbraw/zinc/13/52/16/563135216.db2.gz MEJPFDSDXIJBSI-UHFFFAOYSA-N 0 0 481.379 7.656 1 0 JKAFRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=N\O)cc1OC ZINC000038807513 563135633 /nfs/dbraw/zinc/13/56/33/563135633.db2.gz SQVIPVHRFBDAFK-MWHFXOJOSA-N 0 0 451.607 5.851 1 0 JKAFRN c1nc(-c2cnn3c2ncc(-c2ccc(OCc4ccccc4)cc2)c3C2CCCCC2)n[nH]1 ZINC000038908724 563135727 /nfs/dbraw/zinc/13/57/27/563135727.db2.gz QRRCALSZXNPBQC-UHFFFAOYSA-N 0 0 450.546 5.808 1 0 JKAFRN COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC ZINC000039001863 563135999 /nfs/dbraw/zinc/13/59/99/563135999.db2.gz RNLQQRFAMDEKKT-UHFFFAOYSA-N 0 0 458.518 5.717 1 0 in-vitro JKAFRN Cc1cc(Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)c2c3nc[nH]c3ccc2n1 ZINC000039214832 563136470 /nfs/dbraw/zinc/13/64/70/563136470.db2.gz RXQNOCBNISMZIJ-UHFFFAOYSA-N 0 0 483.019 6.139 1 0 JKAFRN COC(=O)[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242754 563136534 /nfs/dbraw/zinc/13/65/34/563136534.db2.gz WDQXQYWLWWZCPU-QHCPKHFHSA-N 0 0 458.476 7.088 1 0 JKAFRN COC(=O)[C@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242759 563136538 /nfs/dbraw/zinc/13/65/38/563136538.db2.gz CPDWLKRMMSVJCC-GDLZYMKVSA-N 0 0 472.625 8.117 1 0 JKAFRN Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@H]5CCCC[C@H]54)c3)ncn2)c1 ZINC000039301253 563136629 /nfs/dbraw/zinc/13/66/29/563136629.db2.gz QHWRTJGYQNYOAF-PXDATVDWSA-N 0 0 455.606 6.091 1 0 JKAFRN Cc1ccc2nc(N3CCCCCC3)c(CN(C[C@@H]3CCCO3)C(=O)c3cncs3)cc2c1 ZINC000039353370 563136712 /nfs/dbraw/zinc/13/67/12/563136712.db2.gz BKQLDIDZLUFFAT-QFIPXVFZSA-N 0 0 464.635 5.202 1 0 JKAFRN Cc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000040379227 563137235 /nfs/dbraw/zinc/13/72/35/563137235.db2.gz PCPLUKDORVRLOM-UHFFFAOYSA-N 0 0 455.798 5.610 1 0 JKAFRN C[C@H](CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn32)ccc1F)C(F)(F)F ZINC000040380191 563137443 /nfs/dbraw/zinc/13/74/43/563137443.db2.gz KCZLSTAGEYVFNY-GFCCVEGCSA-N 0 0 476.455 5.355 1 0 JKAFRN C[C@@H](CC(=O)Nc1cc(-c2ccnc3c(C(=O)c4cccs4)cnn32)ccc1F)C(F)(F)F ZINC000040380190 563137495 /nfs/dbraw/zinc/13/74/95/563137495.db2.gz KCZLSTAGEYVFNY-LBPRGKRZSA-N 0 0 476.455 5.355 1 0 JKAFRN O=C(c1sc(NC2CCN(Cc3ccccc3F)CC2)nc1-c1ccco1)c1ccccc1 ZINC000040380530 563137560 /nfs/dbraw/zinc/13/75/60/563137560.db2.gz HVKJEQVCCNXTHI-UHFFFAOYSA-N 0 0 461.562 5.850 1 0 JKAFRN CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040392838 563138142 /nfs/dbraw/zinc/13/81/42/563138142.db2.gz NWMARDZCSODKRZ-NRFANRHFSA-N 0 0 470.329 5.757 1 0 JKAFRN CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000040392870 563138162 /nfs/dbraw/zinc/13/81/62/563138162.db2.gz PAZFNSWZKAZYBC-ROLQCNBYSA-N 0 0 496.444 5.545 1 0 JKAFRN C/C(=C/CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000040393024 563138202 /nfs/dbraw/zinc/13/82/02/563138202.db2.gz PBRWVXAYDRQRGX-RGKQSROTSA-N 0 0 454.695 6.407 1 0 JKAFRN CC1(C)C(=O)CC[C@]2(C)[C@H]3C=C[C@]45OC[C@@]6(CC[C@](C)(CO)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000040393211 563138328 /nfs/dbraw/zinc/13/83/28/563138328.db2.gz MKFYXIFFFRVTBZ-UXWTVUEESA-N 0 0 454.695 6.338 1 0 JKAFRN COCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000040393460 563138467 /nfs/dbraw/zinc/13/84/67/563138467.db2.gz KCZGWZYOGRIZEW-UHFFFAOYSA-N 0 0 479.384 6.014 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040393758 563138542 /nfs/dbraw/zinc/13/85/42/563138542.db2.gz PVUSNWSCRYFKFI-GRKNLSHJSA-N 0 0 460.577 6.149 1 0 in-vivo JKAFRN O=C(c1csc2ccccc12)N(CCc1ccccc1Cl)C1CCC2(CC1)OCCO2 ZINC000040394352 563138717 /nfs/dbraw/zinc/13/87/17/563138717.db2.gz JPDLNRNPIGJAOY-UHFFFAOYSA-N 0 0 456.007 5.925 1 0 JKAFRN CCCCOc1ccc2c3ccnc(/C=C/c4ccc(OC)cc4)c3n(CCCc3ccccc3)c2c1 ZINC000040394746 563138886 /nfs/dbraw/zinc/13/88/86/563138886.db2.gz DGFKUPUZAYMAHM-XMHGGMMESA-N 0 0 490.647 8.180 1 0 JKAFRN O=C(CNC(=O)OCc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC000040394767 563138904 /nfs/dbraw/zinc/13/89/04/563138904.db2.gz VVYIWJVZQYZPBB-UHFFFAOYSA-N 0 0 473.312 5.078 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3cccc(Cl)c3C)ccc2n1 ZINC000040394777 563138907 /nfs/dbraw/zinc/13/89/07/563138907.db2.gz NDLYTBRZHJJVLP-UHFFFAOYSA-N 0 0 479.367 7.055 1 0 JKAFRN CCn1cc(C(=O)OC)c(=O)c2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000040394921 563138910 /nfs/dbraw/zinc/13/89/10/563138910.db2.gz CXVIBKQUAXPYGU-UHFFFAOYSA-N 0 0 465.571 6.250 1 0 JKAFRN CC1(C)CC[C@@]23CC[C@]4(C)[C@@](C=C[C@H]5[C@@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)(OC2=O)[C@@H]3C1 ZINC000040394980 563138926 /nfs/dbraw/zinc/13/89/26/563138926.db2.gz VQUPEZXRIUOIJE-LZRJWOMQSA-N 0 0 454.695 6.684 1 0 JKAFRN COc1ccc(-n2cnc3ccc(-c4nnc(SCc5cccc(C(F)(F)F)c5)o4)cc32)cc1 ZINC000040394943 563138951 /nfs/dbraw/zinc/13/89/51/563138951.db2.gz NXAFWNNUIPXKKL-UHFFFAOYSA-N 0 0 482.487 6.395 1 0 JKAFRN CC(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)n1Cc1ncon1 ZINC000040395370 563139104 /nfs/dbraw/zinc/13/91/04/563139104.db2.gz OXFBXBCMWWZUBW-UHFFFAOYSA-N 0 0 492.366 5.987 1 0 JKAFRN FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4cccc(C(F)(F)F)c4)nc32)cc1 ZINC000040395706 563139401 /nfs/dbraw/zinc/13/94/01/563139401.db2.gz ULXNNVCTYJUTFY-UHFFFAOYSA-N 0 0 455.387 6.611 1 0 JKAFRN CC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4cccc(Cl)c4)c3c2)c1 ZINC000040395733 563139403 /nfs/dbraw/zinc/13/94/03/563139403.db2.gz TURZRPSKEYZTTC-UHFFFAOYSA-N 0 0 472.932 6.296 1 0 JKAFRN CO[P@@](=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)c1ccccc1 ZINC000040401614 563139544 /nfs/dbraw/zinc/13/95/44/563139544.db2.gz MLQPEVICWDREHG-HKBQPEDESA-N 0 0 462.511 6.000 1 0 JKAFRN Clc1ccc([C@H](Cn2nnnc2Cc2ccccc2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402266 563139559 /nfs/dbraw/zinc/13/95/59/563139559.db2.gz VXTJFTYMOQZSKE-QFIPXVFZSA-N 0 0 487.951 5.002 1 0 JKAFRN Clc1ccc([C@@H](Cn2nnc(-c3ccccc3)n2)OCc2nnc(Nc3ccccc3)o2)cc1 ZINC000040402581 563139664 /nfs/dbraw/zinc/13/96/64/563139664.db2.gz QVDCDPKIXBVEPW-OAQYLSRUSA-N 0 0 473.924 5.078 1 0 JKAFRN O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000040406505 563140203 /nfs/dbraw/zinc/14/02/03/563140203.db2.gz PUOVAVKOOOIDSE-UHFFFAOYSA-N 0 0 474.446 5.208 1 0 JKAFRN COc1cccc(-n2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nc2-c2ccc(C)cc2)c1 ZINC000040408731 563140428 /nfs/dbraw/zinc/14/04/28/563140428.db2.gz NCMZUUDIJSSYOQ-UHFFFAOYSA-N 0 0 487.003 5.472 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(NCC(C)C)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040408883 563140457 /nfs/dbraw/zinc/14/04/57/563140457.db2.gz XUQNFBXFRVKVGS-UHFFFAOYSA-N 0 0 456.590 5.517 1 0 JKAFRN Cc1c(-c2nnc(C3CCCCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040409606 563140558 /nfs/dbraw/zinc/14/05/58/563140558.db2.gz MGTOZABCUPRQBJ-UHFFFAOYSA-N 0 0 487.818 7.906 1 0 JKAFRN O=C([O-])C[C@H]1CCCn2c3cc[nH+]c(CC4CC4)c3c(Sc3ccc(Cl)c(Cl)c3)c21 ZINC000040411446 563140760 /nfs/dbraw/zinc/14/07/60/563140760.db2.gz ITVGFKXNPHWUBR-CQSZACIVSA-N 0 0 461.414 6.799 1 0 JKAFRN O=C(NC1CCCCC1)n1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1 ZINC000040411472 563140766 /nfs/dbraw/zinc/14/07/66/563140766.db2.gz MPIOCGKQQUDDLT-UHFFFAOYSA-N 0 0 484.214 7.116 1 0 JKAFRN C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)CO ZINC000040411470 563140780 /nfs/dbraw/zinc/14/07/80/563140780.db2.gz NMCAFQWJQYPXBS-HEYXRKOXSA-N 0 0 456.711 6.631 1 0 JKAFRN COCc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040413620 563141171 /nfs/dbraw/zinc/14/11/71/563141171.db2.gz CJFACYWSEAVGGO-UHFFFAOYSA-N 0 0 491.806 6.993 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@@H]3CCCc4ccccc43)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040420756 563141464 /nfs/dbraw/zinc/14/14/64/563141464.db2.gz ZPZCIOHWBPWKQV-OAQYLSRUSA-N 0 0 480.559 7.369 1 0 JKAFRN CCCCOC(=O)Cn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl ZINC000040420771 563141486 /nfs/dbraw/zinc/14/14/86/563141486.db2.gz UNWZYLLJZADZTJ-UHFFFAOYSA-N 0 0 473.187 6.569 1 0 JKAFRN CC(C)CCc1cc(N(CC(C)C)C(=O)OC(C)(C)C)nc(NCc2cccc3ccccc32)n1 ZINC000040421925 563141771 /nfs/dbraw/zinc/14/17/71/563141771.db2.gz LKBGWGWCJAMMBN-UHFFFAOYSA-N 0 0 476.665 7.228 1 0 JKAFRN Cc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040422041 563141791 /nfs/dbraw/zinc/14/17/91/563141791.db2.gz LLUPQAMJQLNFAN-UHFFFAOYSA-N 0 0 461.780 7.155 1 0 JKAFRN O=C(NC1CCCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 ZINC000040422333 563141862 /nfs/dbraw/zinc/14/18/62/563141862.db2.gz RGVBFBQWHQZVFW-DEOSSOPVSA-N 0 0 460.449 6.133 1 0 JKAFRN COC(=O)Cc1cc(O)cc(C/C=C(\C)CC/C=C(\C)CCC[C@@H](C)C(=O)[C@@H](O)C=C(C)C)c1O ZINC000040422412 563141900 /nfs/dbraw/zinc/14/19/00/563141900.db2.gz JKCSXRZMRFNFHN-HUIZYJEUSA-N 0 0 486.649 5.731 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N(C(=O)NC1CCCC1)CC2 ZINC000040422662 563141961 /nfs/dbraw/zinc/14/19/61/563141961.db2.gz POEHIBGBOCZGCB-JOCHJYFZSA-N 0 0 459.384 5.066 1 0 JKAFRN O=C(Nc1ccc(Sc2ccnc3[nH]c(=O)[nH]c32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040422982 563142179 /nfs/dbraw/zinc/14/21/79/563142179.db2.gz TUQIRRWFTAAAKT-UHFFFAOYSA-N 0 0 479.871 5.719 1 0 JKAFRN Cc1c(-c2nnc(-c3ccncc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040423200 563142258 /nfs/dbraw/zinc/14/22/58/563142258.db2.gz ZVWGJIWWOQUJCP-UHFFFAOYSA-N 0 0 482.758 6.920 1 0 JKAFRN COc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N)n2)cc1 ZINC000040423607 563142442 /nfs/dbraw/zinc/14/24/42/563142442.db2.gz QVLFRUOFGQABOV-UHFFFAOYSA-N 0 0 453.933 6.347 1 0 JKAFRN COC(=O)Cc1cc(O)cc(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](O)C=C(C)C)c1O ZINC000040423706 563142536 /nfs/dbraw/zinc/14/25/36/563142536.db2.gz UHXRUTRCOYCXAF-UFWJFSPOSA-N 0 0 486.649 5.443 1 0 JKAFRN CC(=O)c1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040423801 563142540 /nfs/dbraw/zinc/14/25/40/563142540.db2.gz LCEISAFONMENRU-UHFFFAOYSA-N 0 0 489.790 7.050 1 0 JKAFRN CN1C(c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C2CC2)=NC(=O)C1(C)C ZINC000040424309 563142757 /nfs/dbraw/zinc/14/27/57/563142757.db2.gz CUCFIACZZPETED-UHFFFAOYSA-N 0 0 487.818 6.374 1 0 JKAFRN C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000040424560 563142856 /nfs/dbraw/zinc/14/28/56/563142856.db2.gz CQWHTXPRAFEPNO-AWVVPDOTSA-N 0 0 484.545 5.193 1 0 JKAFRN Cc1cc(Oc2ccnc3[nH]c(=O)[nH]c32)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040424866 563142954 /nfs/dbraw/zinc/14/29/54/563142954.db2.gz MYKUPVZTRLNARU-UHFFFAOYSA-N 0 0 477.830 5.668 1 0 JKAFRN CCCCC1(CCCC)OC(c2cc(C)cc(C)c2)=NN1C(=O)NC(=O)c1ccccc1Cl ZINC000040425154 563143081 /nfs/dbraw/zinc/14/30/81/563143081.db2.gz NKVOVGFIPJRJPK-UHFFFAOYSA-N 0 0 470.013 6.577 1 0 JKAFRN CCOCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040425301 563143101 /nfs/dbraw/zinc/14/31/01/563143101.db2.gz QERUDLNIHPVYAZ-UHFFFAOYSA-N 0 0 492.423 7.010 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4cccc(OC(F)(F)F)c4)c4ccccc34)c21 ZINC000040429444 563143357 /nfs/dbraw/zinc/14/33/57/563143357.db2.gz YDLSDVFJILYSBC-UHFFFAOYSA-N 0 0 494.429 5.358 1 0 JKAFRN CS(=O)(=O)c1ccc(C2CCCCC2)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000040429805 563143454 /nfs/dbraw/zinc/14/34/54/563143454.db2.gz KFAXJQMUMIBYAF-UHFFFAOYSA-N 0 0 494.579 5.119 1 0 JKAFRN Cc1c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)ncn1C(C)C ZINC000040429778 563143468 /nfs/dbraw/zinc/14/34/68/563143468.db2.gz DOKPAHISNBPOMF-UHFFFAOYSA-N 0 0 470.665 5.935 1 0 JKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1 ZINC000040430147 563143549 /nfs/dbraw/zinc/14/35/49/563143549.db2.gz XMVDDSSINBJQNA-UHFFFAOYSA-N 0 0 490.489 6.776 1 0 JKAFRN CCc1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)nn1C ZINC000040430023 563143557 /nfs/dbraw/zinc/14/35/57/563143557.db2.gz FMNZDRBPLCTEMZ-UHFFFAOYSA-N 0 0 456.638 5.146 1 0 JKAFRN C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000040519848 563145111 /nfs/dbraw/zinc/14/51/11/563145111.db2.gz CGMUPAJSFKMBRI-XBGCSNAISA-N 0 0 457.035 5.357 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3cccc(Br)c3)cc2)C1=O ZINC000040556684 563145192 /nfs/dbraw/zinc/14/51/92/563145192.db2.gz KNQNCGHZIOLQMW-HXUWFJFHSA-N 0 0 469.766 5.087 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3cccc(Br)c3)cc2)C1=O ZINC000040556685 563145208 /nfs/dbraw/zinc/14/52/08/563145208.db2.gz KNQNCGHZIOLQMW-FQEVSTJZSA-N 0 0 469.766 5.087 1 0 JKAFRN O=c1c2ccccc2c(Cc2ccc(Cl)cc2Cl)nn1-c1ccc(Br)cc1 ZINC000040564175 563145309 /nfs/dbraw/zinc/14/53/09/563145309.db2.gz MEESHNXHPARVBS-UHFFFAOYSA-N 0 0 460.158 6.046 1 0 JKAFRN COC(=O)[C@@]12CC[C@@]3(C)CCC(C)(C)C[C@H]3C1=CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C ZINC000040564670 563145393 /nfs/dbraw/zinc/14/53/93/563145393.db2.gz HEDYWHFMTAMIIX-JYUMRKDWSA-N 0 0 470.738 7.322 1 0 in-vivo JKAFRN Cc1cccc2sc(N[C@H](c3ccc(C(F)(F)F)cc3)P(=O)(OC(C)C)OC(C)C)nc21 ZINC000040565209 563145471 /nfs/dbraw/zinc/14/54/71/563145471.db2.gz LJENBGQGGXFRTM-FQEVSTJZSA-N 0 0 486.496 7.777 1 0 JKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@]12C ZINC000040564982 563145483 /nfs/dbraw/zinc/14/54/83/563145483.db2.gz MBXSPMOLIYZPJV-BNCKGFGHSA-N 0 0 460.699 5.457 1 0 JKAFRN COc1ccc(-n2c(C)nc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc32)cc1 ZINC000040568276 563146209 /nfs/dbraw/zinc/14/62/09/563146209.db2.gz LCGCBEWDLYYVRE-UHFFFAOYSA-N 0 0 498.995 6.424 1 0 JKAFRN CO[C@H](C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000040575773 563146408 /nfs/dbraw/zinc/14/64/08/563146408.db2.gz HWTNSNKGQCBRLQ-QHCPKHFHSA-N 0 0 468.644 6.347 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc(Cl)c1 ZINC000040576450 563146508 /nfs/dbraw/zinc/14/65/08/563146508.db2.gz PFCMZTOLGPRTSH-UHFFFAOYSA-N 0 0 480.051 8.233 1 0 JKAFRN O=C1c2ccccc2COc2cc(Nc3ccc(Br)cc3Br)ccc21 ZINC000040577012 563146579 /nfs/dbraw/zinc/14/65/79/563146579.db2.gz HKOINQDOCFZCDK-UHFFFAOYSA-N 0 0 459.137 6.079 1 0 JKAFRN CC(=O)[C@@]12O[C@](C)(c3ccc(N)cc3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000040620024 563146974 /nfs/dbraw/zinc/14/69/74/563146974.db2.gz DCGUGTTXJYZYDT-OMSQBFNRSA-N 0 0 463.618 5.327 1 0 JKAFRN CC1=NN(C(=O)Nc2cccc(C(F)(F)F)c2)C(C)=NN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000040631815 563147057 /nfs/dbraw/zinc/14/70/57/563147057.db2.gz HLOQJMTXQSBGLZ-UHFFFAOYSA-N 0 0 486.376 5.773 1 0 JKAFRN C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CC[C@@]2(O)c1ccccc1 ZINC000040709491 563147476 /nfs/dbraw/zinc/14/74/76/563147476.db2.gz WSKYJQQNECEFGK-VEHWALSASA-N 0 0 491.679 6.728 1 0 JKAFRN COC(=O)c1c(-c2ccc(O)cc2O)c(-c2cccc(O)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000040762738 563147875 /nfs/dbraw/zinc/14/78/75/563147875.db2.gz SGSXMAKHMBJCOK-UHFFFAOYSA-N 0 0 471.465 5.044 1 0 JKAFRN C[C@H](Nc1nccc(N(C(=O)Nc2c(Cl)cccc2Cl)c2ccc(F)cc2)n1)C(C)(C)O ZINC000040763457 563148043 /nfs/dbraw/zinc/14/80/43/563148043.db2.gz OOHMMXDSKRBPPQ-ZDUSSCGKSA-N 0 0 478.355 5.864 1 0 JKAFRN COC(=O)[C@@]12CC[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000040764092 563148162 /nfs/dbraw/zinc/14/81/62/563148162.db2.gz QQTTYKDXVIONSQ-SDLSCXKISA-N 0 0 456.711 6.932 1 0 in-vivo JKAFRN C[C@@]12C=C[C@H]3[C@H]([C@H]1CC[C@@]21CCC(=O)O1)[C@H](SC(=O)c1ccccc1)CC1=CC(=O)CC[C@@]13C ZINC000040786534 563148510 /nfs/dbraw/zinc/14/85/10/563148510.db2.gz MEURNVDZVZJVML-HUMCBRQYSA-N 0 0 476.638 5.922 1 0 JKAFRN CCC[C@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040791325 563148586 /nfs/dbraw/zinc/14/85/86/563148586.db2.gz AXDPXIKIADMXCF-SANMLTNESA-N 0 0 466.589 5.851 1 0 JKAFRN Cc1ccccc1C[S@@](=O)[C@@]1(Cl)CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000040822194 563148760 /nfs/dbraw/zinc/14/87/60/563148760.db2.gz DEKIFCQBXMDCGS-BPGDQVLRSA-N 0 0 471.062 5.666 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4cccc(C(C)=O)c4)cc32)cc1OC ZINC000040822976 563148837 /nfs/dbraw/zinc/14/88/37/563148837.db2.gz PPNFQOCFASZNJI-UHFFFAOYSA-N 0 0 457.490 5.237 1 0 JKAFRN Cc1ccc2c(Cc3nn4c(CO)c(-c5ccc(Br)cc5)nc4s3)coc2c1 ZINC000040835490 563149002 /nfs/dbraw/zinc/14/90/02/563149002.db2.gz LJTBHJMAWURMKB-UHFFFAOYSA-N 0 0 454.349 5.358 1 0 JKAFRN CC(C)Oc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040836393 563149008 /nfs/dbraw/zinc/14/90/08/563149008.db2.gz DNHKRHGHMJZIBE-DEOSSOPVSA-N 0 0 469.965 5.194 1 0 JKAFRN COc1cc2nc(N3CCN(c4ccccc4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040845121 563149092 /nfs/dbraw/zinc/14/90/92/563149092.db2.gz BDXRDQWELZTHAC-UHFFFAOYSA-N 0 0 461.610 5.108 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCNC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000040836697 563149101 /nfs/dbraw/zinc/14/91/01/563149101.db2.gz YNJYOHCJLFYLIK-NRFANRHFSA-N 0 0 468.601 5.913 1 0 JKAFRN CCCP(=O)(CCC)c1ccc(Nc2ncnc3c2ncn3/C=C/c2c(C)cccc2C)cc1 ZINC000040847470 563149448 /nfs/dbraw/zinc/14/94/48/563149448.db2.gz PITUMGJELDUJEZ-CCEZHUSRSA-N 0 0 473.561 6.623 1 0 JKAFRN Cc1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)[O-] ZINC000040848416 563149608 /nfs/dbraw/zinc/14/96/08/563149608.db2.gz RFYGTPHLVAOIDY-OFVILXPXSA-N 0 0 451.950 5.319 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O ZINC000040848707 563149687 /nfs/dbraw/zinc/14/96/87/563149687.db2.gz ZSRIUUWYDGCPHU-HPXKIVQKSA-N 0 0 486.737 6.293 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040848575 563149695 /nfs/dbraw/zinc/14/96/95/563149695.db2.gz NHLZNTYRPUFRMB-HOTGVXAUSA-N 0 0 475.807 5.876 1 0 JKAFRN Cc1cc(C(=O)N2CCCCc3ccccc32)cc(C)c1CNC(=O)Nc1c(F)cccc1F ZINC000040848559 563149703 /nfs/dbraw/zinc/14/97/03/563149703.db2.gz ZXNTXCWKBKZNIA-UHFFFAOYSA-N 0 0 463.528 5.886 1 0 JKAFRN CC(C)OP(=O)(NCCCCCC(=O)Nc1ccc(/C=C/c2ccccc2)cc1)OC(C)C ZINC000040848699 563149713 /nfs/dbraw/zinc/14/97/13/563149713.db2.gz MQOYIZVNLLAPJR-CCEZHUSRSA-N 0 0 472.566 6.904 1 0 JKAFRN O=C(NN1CCCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040848861 563149776 /nfs/dbraw/zinc/14/97/76/563149776.db2.gz CEOGNFFOVOPUSS-UHFFFAOYSA-N 0 0 463.796 6.020 1 0 JKAFRN C[C@@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)[C@@H]1CC[C@H](C)[C@@H](O)O1 ZINC000040849179 563149780 /nfs/dbraw/zinc/14/97/80/563149780.db2.gz HYEBEDUHRUQRHO-QVPYFDHVSA-N 0 0 456.711 7.074 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 ZINC000040860179 563149857 /nfs/dbraw/zinc/14/98/57/563149857.db2.gz NMTYYCKPWNJZSQ-ZEQRLZLVSA-N 0 0 455.476 5.251 1 0 JKAFRN COc1cc(/C=C/c2ccc(NC(=O)CNP(=O)(OC(C)C)OC(C)C)cc2)cc(OC)c1 ZINC000040860691 563150007 /nfs/dbraw/zinc/15/00/07/563150007.db2.gz VJUJGJDQDRWTFN-BQYQJAHWSA-N 0 0 476.510 5.360 1 0 JKAFRN Clc1cc(Cl)c(Cl)c(-c2nnc3sc(-c4ccncc4Br)nn32)c1 ZINC000040860863 563150012 /nfs/dbraw/zinc/15/00/12/563150012.db2.gz BJUXOHCIGDUGBS-UHFFFAOYSA-N 0 0 461.559 5.638 1 0 JKAFRN C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040861096 563150101 /nfs/dbraw/zinc/15/01/01/563150101.db2.gz IQFOVKTXQPEMEW-MUUNZHRXSA-N 0 0 460.581 6.292 1 0 JKAFRN CCCOc1cc(-c2ccc(NCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040862120 563150226 /nfs/dbraw/zinc/15/02/26/563150226.db2.gz YGJMTGYXILZWOH-DEOSSOPVSA-N 0 0 468.981 5.229 1 0 JKAFRN Fc1cc(F)c(-c2c(Cl)nc(-c3ccc4ccccc4n3)nc2NCC(F)(F)F)c(F)c1 ZINC000040863800 563150713 /nfs/dbraw/zinc/15/07/13/563150713.db2.gz ZDOGRDYQRDOYPT-UHFFFAOYSA-N 0 0 468.788 6.404 1 0 JKAFRN O=C(Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1)Nc1cc(Cl)cc(Cl)c1 ZINC000040864183 563150800 /nfs/dbraw/zinc/15/08/00/563150800.db2.gz OBHHZFSBNADEFS-UHFFFAOYSA-N 0 0 492.288 7.343 1 0 JKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(C1CCCC1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040864832 563150834 /nfs/dbraw/zinc/15/08/34/563150834.db2.gz DFYOVMKHYAWORB-WUKNDPDISA-N 0 0 485.572 6.720 1 0 JKAFRN CCCCCCC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 ZINC000040865185 563150844 /nfs/dbraw/zinc/15/08/44/563150844.db2.gz ZWKPUYLNBIHNIX-UHFFFAOYSA-N 0 0 487.346 5.788 1 0 JKAFRN CC1(C)C[C@@]2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040865136 563150882 /nfs/dbraw/zinc/15/08/82/563150882.db2.gz FAFQDHBWRGUWMG-OAQYLSRUSA-N 0 0 481.228 5.500 1 0 JKAFRN CC1(C)C[C@]2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1 ZINC000040865139 563150900 /nfs/dbraw/zinc/15/09/00/563150900.db2.gz FAFQDHBWRGUWMG-NRFANRHFSA-N 0 0 481.228 5.500 1 0 JKAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCCNc3ccccc3)c1cc2-c1ccccc1Cl ZINC000040865623 563150948 /nfs/dbraw/zinc/15/09/48/563150948.db2.gz HQSJZRYRIFULRR-UHFFFAOYSA-N 0 0 495.966 6.206 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CCCCCCc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040916086 563155663 /nfs/dbraw/zinc/15/56/63/563155663.db2.gz RPBXYKBXGYULNM-UHFFFAOYSA-N 0 0 481.390 5.729 1 0 JKAFRN COc1cc2nccc(Oc3ccc4nc(NC(=O)c5ccc(F)cc5)sc4c3)c2cc1OC ZINC000040916549 563155683 /nfs/dbraw/zinc/15/56/83/563155683.db2.gz SRRYQFIUUUZPJQ-UHFFFAOYSA-N 0 0 475.501 6.045 1 0 JKAFRN Fc1ccc(Cn2c3ccccc3nc2NC2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000040917280 563155817 /nfs/dbraw/zinc/15/58/17/563155817.db2.gz PLLAJNLKAWWLGN-UHFFFAOYSA-N 0 0 485.994 6.506 1 0 JKAFRN COc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(ccc1OC)CCc1ccc-2c(O)c1 ZINC000040917663 563155915 /nfs/dbraw/zinc/15/59/15/563155915.db2.gz MHIHVQLJDIXOBT-UHFFFAOYSA-N 0 0 452.550 6.753 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040917702 563155929 /nfs/dbraw/zinc/15/59/29/563155929.db2.gz ZGDJQLUCSCOGOA-UHFFFAOYSA-N 0 0 482.628 5.685 1 0 JKAFRN COc1ccc([C@@H]2[C@@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 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495.044 6.046 1 0 JKAFRN CC(C)(C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1 ZINC000043015937 563164580 /nfs/dbraw/zinc/16/45/80/563164580.db2.gz XBNJORUMBGNHPU-UHFFFAOYSA-N 0 0 461.993 5.219 1 0 JKAFRN COc1ccc(C2=Nn3c(nnc3-c3ccccc3C(F)(F)F)SC2)cc1OC1CCCC1 ZINC000043016370 563164595 /nfs/dbraw/zinc/16/45/95/563164595.db2.gz RFHKNSOESWHOCF-UHFFFAOYSA-N 0 0 474.508 5.652 1 0 JKAFRN COc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCC(C)(C)O ZINC000043017162 563164597 /nfs/dbraw/zinc/16/45/97/563164597.db2.gz IGQIGUXVLYXIBZ-UHFFFAOYSA-N 0 0 480.508 5.163 1 0 JKAFRN C[C@H](Cc1ccccc1)n1c(=O)c2c(ccnc2C(F)(F)F)nc1-c1ncccc1C(F)(F)F ZINC000043017755 563164682 /nfs/dbraw/zinc/16/46/82/563164682.db2.gz PJHIOJSKWADXIB-CYBMUJFWSA-N 0 0 478.396 5.695 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000043021401 563165071 /nfs/dbraw/zinc/16/50/71/563165071.db2.gz UBFUXHJLOGHVTK-UHFFFAOYSA-N 0 0 463.867 6.757 1 0 JKAFRN 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MYOQMGSQVOTIII-LVXARBLLSA-N 0 0 472.581 6.879 1 0 JKAFRN CCN(C)c1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043120155 563167375 /nfs/dbraw/zinc/16/73/75/563167375.db2.gz PXURRPVPVCHZOP-HRAATJIYSA-N 0 0 473.846 6.176 1 0 JKAFRN CCCCCc1c2c(cc(OC)c1C(=O)OC)OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2 ZINC000043120077 563167389 /nfs/dbraw/zinc/16/73/89/563167389.db2.gz AEUQAVWUFNFORZ-UHFFFAOYSA-N 0 0 484.545 5.921 1 0 JKAFRN Oc1ccc(CCN2CCc3c4cc(Br)ccc4[nH]c3-c3c(Cl)nccc32)cc1 ZINC000043120813 563167539 /nfs/dbraw/zinc/16/75/39/563167539.db2.gz FNXISRZAOACOSB-UHFFFAOYSA-N 0 0 468.782 5.957 1 0 JKAFRN Cn1cc(C2=C(c3[nH]nc4ncccc43)C(=O)N(c3cccc4ccccc43)C2=O)c2ccccc21 ZINC000043120756 563167541 /nfs/dbraw/zinc/16/75/41/563167541.db2.gz RHXKKAQVGGKIAK-UHFFFAOYSA-N 0 0 469.504 5.087 1 0 JKAFRN O=C(Nc1ccccc1Cl)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000043121095 563167547 /nfs/dbraw/zinc/16/75/47/563167547.db2.gz JOSCTQYMZDYQFU-UHFFFAOYSA-N 0 0 463.867 6.757 1 0 JKAFRN 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/nfs/dbraw/zinc/17/34/54/563173454.db2.gz KWZSTHUTLAMIRU-DEOSSOPVSA-N 0 0 453.546 5.199 1 0 JKAFRN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2)cc1 ZINC000045168191 563173610 /nfs/dbraw/zinc/17/36/10/563173610.db2.gz ALNVETZKRYITBG-UHFFFAOYSA-N 0 0 476.536 6.718 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)N[C@H]5C[C@@H]5c5ccccc5)cc4)cc3)nc21 ZINC000045168412 563173660 /nfs/dbraw/zinc/17/36/60/563173660.db2.gz IUMRBBFXSRGHKS-VPUSJEBWSA-N 0 0 458.565 6.883 1 0 JKAFRN Cc1[nH]c(C)c(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)c(=O)c1Br ZINC000045186748 563174245 /nfs/dbraw/zinc/17/42/45/563174245.db2.gz MVXDWSSBDVRPHJ-UHFFFAOYSA-N 0 0 491.229 6.521 1 0 JKAFRN COc1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045186838 563174279 /nfs/dbraw/zinc/17/42/79/563174279.db2.gz ASMIQEGWSDSBJM-UHFFFAOYSA-N 0 0 452.489 6.689 1 0 JKAFRN COc1ccccc1NC(=O)Nc1cccc(-c2ccc(-c3nc4c(cccc4C)[nH]3)s2)c1 ZINC000045187225 563174342 /nfs/dbraw/zinc/17/43/42/563174342.db2.gz 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CN1c2ncnn2[C@H](c2ccc(F)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Br)cc1 ZINC000045253948 563182296 /nfs/dbraw/zinc/18/22/96/563182296.db2.gz SQANGVSPIJUOIT-ISKFKSNPSA-N 0 0 489.348 5.764 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc32)cc1OC ZINC000045254181 563182373 /nfs/dbraw/zinc/18/23/73/563182373.db2.gz RKVUEFLRMNGCRQ-UHFFFAOYSA-N 0 0 465.966 5.853 1 0 JKAFRN CCOC(=O)c1cc(/C=C/c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)on1 ZINC000045254936 563182552 /nfs/dbraw/zinc/18/25/52/563182552.db2.gz MDRAOMQPYGJPQO-BUHFOSPRSA-N 0 0 455.510 6.180 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCNC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000045255643 563182632 /nfs/dbraw/zinc/18/26/32/563182632.db2.gz UCFXVNIOVMQDPR-UHFFFAOYSA-N 0 0 457.452 5.185 1 0 JKAFRN O=C(NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)c1ccc(-c2ccccc2)cc1 ZINC000045256073 563182720 /nfs/dbraw/zinc/18/27/20/563182720.db2.gz BOLJPJHAQUWCBM-QFIPXVFZSA-N 0 0 460.839 5.757 1 0 JKAFRN [NH3+]Cc1cccc(-c2cccc(Oc3nc(Oc4ccccc4CC(=O)[O-])c(F)cc3F)c2)c1 ZINC000045258818 563182940 /nfs/dbraw/zinc/18/29/40/563182940.db2.gz IOJQTBPIFJZYIY-UHFFFAOYSA-N 0 0 462.452 5.697 1 0 JKAFRN Fc1ccc(-c2nn3c(nccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)c2)cc1 ZINC000045258674 563182952 /nfs/dbraw/zinc/18/29/52/563182952.db2.gz LLEGMTDQQCKYAO-UHFFFAOYSA-N 0 0 456.569 6.306 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccccc3-c3ccccc3)C2=O)c1 ZINC000045259036 563183031 /nfs/dbraw/zinc/18/30/31/563183031.db2.gz GGFIWIJDTUKGPW-UHFFFAOYSA-N 0 0 474.630 5.500 1 0 JKAFRN CNc1ncc2cc(-c3c(C)ccc4c3ccnc4Nc3cc(C(C)(C)C)nn3C)ccc2n1 ZINC000045259155 563183045 /nfs/dbraw/zinc/18/30/45/563183045.db2.gz MRKUZTPMEBRBGD-UHFFFAOYSA-N 0 0 451.578 5.970 1 0 JKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@@H](c2ccc(Cl)cc2)C1 ZINC000045261597 563183266 /nfs/dbraw/zinc/18/32/66/563183266.db2.gz GORXQQIWJHDIEN-SFHLNBCPSA-N 0 0 466.887 5.789 1 0 JKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@H](c2ccc(Cl)cc2)C1 ZINC000045261594 563183281 /nfs/dbraw/zinc/18/32/81/563183281.db2.gz GORXQQIWJHDIEN-SBHAEUEKSA-N 0 0 466.887 5.789 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1cccc(/C=C/c2ccccc2)c1 ZINC000045261952 563183352 /nfs/dbraw/zinc/18/33/52/563183352.db2.gz UQPGKXDGPCMIOX-MDZDMXLPSA-N 0 0 463.147 7.271 1 0 JKAFRN COc1ccc(C=CC(=O)Nc2cc(-c3[nH]c(SC)nc3-c3ccc(F)cc3)ccn2)c(OC)c1 ZINC000045261814 563183371 /nfs/dbraw/zinc/18/33/71/563183371.db2.gz BLAZPRXMAUDJQB-YRNVUSSQSA-N 0 0 490.560 5.669 1 0 JKAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045283723 563183436 /nfs/dbraw/zinc/18/34/36/563183436.db2.gz WTTLIPSZNOTDEY-HSZRJFAPSA-N 0 0 462.015 5.049 1 0 JKAFRN Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Nc3ccnc4ccccc43)c2)cc1 ZINC000045283925 563183548 /nfs/dbraw/zinc/18/35/48/563183548.db2.gz SRNCLFNWGMXJLX-UHFFFAOYSA-N 0 0 490.611 7.414 1 0 JKAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cncnc3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045284245 563183621 /nfs/dbraw/zinc/18/36/21/563183621.db2.gz FXIRUAYLOHCEDY-QHCPKHFHSA-N 0 0 497.502 5.213 1 0 JKAFRN CC(C)(C)OC(=O)n1ccc2c1cccc2CCOc1cccc(-c2cccc(-c3nn[nH]n3)c2)c1 ZINC000045284705 563183721 /nfs/dbraw/zinc/18/37/21/563183721.db2.gz USMWMLKAXHPGDD-UHFFFAOYSA-N 0 0 481.556 5.893 1 0 JKAFRN COCCN1C(=S)N=NC1c1cnc2c(cccc2C(F)(F)F)c1NC1CCCCC1 ZINC000045285424 563183787 /nfs/dbraw/zinc/18/37/87/563183787.db2.gz TVCRZOCXAOSCQV-UHFFFAOYSA-N 0 0 451.518 5.192 1 0 JKAFRN CCCCNC(=O)NCc1ccc(CN2C(N)=N[C@](CCC3CCCCC3)(CC(C)C)C2=O)cc1 ZINC000045285986 563183986 /nfs/dbraw/zinc/18/39/86/563183986.db2.gz CNTBNKNPMIFGMN-MUUNZHRXSA-N 0 0 483.701 5.298 1 0 JKAFRN N=C1C(=S)N(c2ccc(Br)cc2)C(=S)N1c1ccc(Br)cc1 ZINC000045286256 563184068 /nfs/dbraw/zinc/18/40/68/563184068.db2.gz JFXRLSABXIELHJ-UHFFFAOYSA-N 0 0 455.200 5.128 1 0 JKAFRN Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3ccc(N)c(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045288548 563184460 /nfs/dbraw/zinc/18/44/60/563184460.db2.gz ZOPDVSJDLUGFGJ-UHFFFAOYSA-N 0 0 477.467 5.659 1 0 JKAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CN(C)Cc2ccco2)c1 ZINC000045288694 563184465 /nfs/dbraw/zinc/18/44/65/563184465.db2.gz BMHBXKMZHDPUNA-UHFFFAOYSA-N 0 0 494.398 5.281 1 0 JKAFRN COc1ccc(-c2nn3c(nccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)c2)cc1 ZINC000045288872 563184565 /nfs/dbraw/zinc/18/45/65/563184565.db2.gz VHMVKZRPAUOMFR-UHFFFAOYSA-N 0 0 468.605 6.176 1 0 JKAFRN Cc1c(-c2cn(C3CCOCC3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045289287 563184634 /nfs/dbraw/zinc/18/46/34/563184634.db2.gz ORQBNMXEZFSXHQ-UHFFFAOYSA-N 0 0 487.818 7.023 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(/C=C/c2ccccc2)cc1 ZINC000045289850 563184778 /nfs/dbraw/zinc/18/47/78/563184778.db2.gz ACXQAYBUGCBSSN-VOTSOKGWSA-N 0 0 463.147 7.271 1 0 JKAFRN Cc1c(-c2ncn(C(C)C)c2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045290152 563184857 /nfs/dbraw/zinc/18/48/57/563184857.db2.gz PNYJPKICYAHOOO-UHFFFAOYSA-N 0 0 459.808 7.561 1 0 JKAFRN Cc1cc(Oc2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c(-c2ccccn2)nc1C ZINC000045291170 563184994 /nfs/dbraw/zinc/18/49/94/563184994.db2.gz IMQLUYVCVAGOQD-UHFFFAOYSA-N 0 0 453.546 5.528 1 0 JKAFRN CC(C)=CCC[C@]1(C)CCc2c([C@@H]3CC(=O)c4c(O)c(CC=C(C)C)c(O)cc4O3)ccc(O)c2O1 ZINC000045299225 563185292 /nfs/dbraw/zinc/18/52/92/563185292.db2.gz YDKQMGVESZZFGP-SETSBSEESA-N 0 0 492.612 6.849 1 0 in-vitro JKAFRN COc1cccc(CCc2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)c1 ZINC000045299598 563185373 /nfs/dbraw/zinc/18/53/73/563185373.db2.gz NZFZSSRHOHMVFN-UHFFFAOYSA-N 0 0 495.189 6.895 1 0 JKAFRN Cc1c(-c2cn(Cc3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045300297 563185489 /nfs/dbraw/zinc/18/54/89/563185489.db2.gz VVEMQFNTCWDIFS-UHFFFAOYSA-N 0 0 493.825 7.720 1 0 JKAFRN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(C(F)(F)F)cc3)c(Br)c2)S1 ZINC000045301022 563185662 /nfs/dbraw/zinc/18/56/62/563185662.db2.gz XRRNIQCKBVEGDN-NVNXTCNLSA-N 0 0 458.255 5.371 1 0 JKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000045301044 563185686 /nfs/dbraw/zinc/18/56/86/563185686.db2.gz DESXTNMKVHYOKR-AESFBGKJSA-N 0 0 488.631 6.738 1 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1nccn1Cc1ccc(OC)cc1 ZINC000045301303 563185767 /nfs/dbraw/zinc/18/57/67/563185767.db2.gz VAQKGYFGFUDDDA-FQEVSTJZSA-N 0 0 468.044 5.111 1 0 JKAFRN Cc1nccc2c(NC(=O)N[C@@H]3CCN(c4ncc(C(F)(F)F)cc4Br)C3)cccc12 ZINC000045302087 563186013 /nfs/dbraw/zinc/18/60/13/563186013.db2.gz NNGSQXMIIUWABY-CQSZACIVSA-N 0 0 494.315 5.120 1 0 JKAFRN Cc1ccc(F)c(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)OC3=O)CC2)c1Cl ZINC000045302293 563186226 /nfs/dbraw/zinc/18/62/26/563186226.db2.gz UNWUWKXGQSDMET-UHFFFAOYSA-N 0 0 478.995 6.148 1 0 JKAFRN CNC(=O)Cc1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045302486 563186425 /nfs/dbraw/zinc/18/64/25/563186425.db2.gz UHWUKUCVGVQFSH-UHFFFAOYSA-N 0 0 474.564 5.746 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NC2CCCCCC2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000045302906 563186805 /nfs/dbraw/zinc/18/68/05/563186805.db2.gz MOLODZCQCVJUJQ-UHFFFAOYSA-N 0 0 459.421 6.348 1 0 JKAFRN CC(=O)Nc1ncc(C(=O)Nc2ccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)cc2)s1 ZINC000045302868 563186881 /nfs/dbraw/zinc/18/68/81/563186881.db2.gz UWBQVBAHBLPPIA-UHFFFAOYSA-N 0 0 471.517 5.703 1 0 JKAFRN Cc1cc2nc(-c3ccc(/C=C/C(=O)NCc4ccc(Cl)c(Cl)c4)cc3)[nH]c2cc1C ZINC000045302951 563186995 /nfs/dbraw/zinc/18/69/95/563186995.db2.gz XXTUTVKMFLNBMB-UXBLZVDNSA-N 0 0 450.369 6.483 1 0 JKAFRN CC(C)(C)c1ccc(NC(=S)NCCCCCCCCOc2cccc(NC(N)=S)c2)cc1 ZINC000045315136 563187305 /nfs/dbraw/zinc/18/73/05/563187305.db2.gz LNFZRXYAOBENTQ-UHFFFAOYSA-N 0 0 486.751 6.346 1 0 JKAFRN CC(=O)Nc1ncnc2c1ccn2-c1ccc(NC(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000045315554 563187311 /nfs/dbraw/zinc/18/73/11/563187311.db2.gz VMHQDSIIYDLLFE-UHFFFAOYSA-N 0 0 455.305 5.330 1 0 JKAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000045316138 563187406 /nfs/dbraw/zinc/18/74/06/563187406.db2.gz UFCQQICDUVMVOA-NFBKMPQASA-N 0 0 491.599 5.713 1 0 JKAFRN CC(C)[C@@H](C)Nc1cc(-c2nc3cc(Cl)c(Cl)cc3nc2-c2ccc(F)cc2)ccn1 ZINC000045315778 563187437 /nfs/dbraw/zinc/18/74/37/563187437.db2.gz JGGZJXBRRUTWRY-CQSZACIVSA-N 0 0 455.364 7.261 1 0 JKAFRN S=c1nc2[nH]c(-c3ccccc3)nc3c2c(nn3-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)[nH]1 ZINC000045317545 563187631 /nfs/dbraw/zinc/18/76/31/563187631.db2.gz DGAWKYNYMKHXIQ-UHFFFAOYSA-N 0 0 499.563 5.167 1 0 JKAFRN CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045318302 563187690 /nfs/dbraw/zinc/18/76/90/563187690.db2.gz LZWUWRSQYLAIAW-QHCPKHFHSA-N 0 0 485.411 5.623 1 0 JKAFRN O=C(CCCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1-c1ccccc1 ZINC000045319542 563187923 /nfs/dbraw/zinc/18/79/23/563187923.db2.gz VRGPAIVGYBPUKK-UHFFFAOYSA-N 0 0 453.590 6.377 1 0 JKAFRN CN1c2ncnn2[C@@H](c2ccc(Cl)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Cl)cc1 ZINC000045319540 563187933 /nfs/dbraw/zinc/18/79/33/563187933.db2.gz TVZQVERUCXVELL-UPVQGACJSA-N 0 0 461.352 6.169 1 0 JKAFRN COc1ccc(NC(=O)Nc2ccc(-c3ccncc3)c(C(F)(F)F)c2)cc1N1CC[NH+](C)CC1 ZINC000045322435 563188461 /nfs/dbraw/zinc/18/84/61/563188461.db2.gz ONERPDSICRTMLI-UHFFFAOYSA-N 0 0 485.510 5.172 1 0 JKAFRN Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4cc(-c5nccs5)ccc43)cc2O)cc1 ZINC000045323484 563188863 /nfs/dbraw/zinc/18/88/63/563188863.db2.gz WHGSEHVNQKVQER-UHFFFAOYSA-N 0 0 452.539 6.368 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)C[C@@H]5NC(=O)c6ccccc65)c4)c3)nc21 ZINC000045323569 563188891 /nfs/dbraw/zinc/18/88/91/563188891.db2.gz FPNALFKIFMTVTI-SANMLTNESA-N 0 0 472.548 6.019 1 0 JKAFRN COc1ccc(NC(=O)Nc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)cc1 ZINC000045323938 563188984 /nfs/dbraw/zinc/18/89/84/563188984.db2.gz JMTQJXPGMPWYEY-UHFFFAOYSA-N 0 0 454.555 6.919 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045324106 563189033 /nfs/dbraw/zinc/18/90/33/563189033.db2.gz FCJAVFIEVZMDMZ-UHFFFAOYSA-N 0 0 456.908 7.333 1 0 JKAFRN CC(C)Oc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3cccs3)cc1)CC[N@H+](C)CC2 ZINC000045324646 563189250 /nfs/dbraw/zinc/18/92/50/563189250.db2.gz GEGXIFWWAZKHFI-UHFFFAOYSA-N 0 0 456.633 5.034 1 0 JKAFRN NC(=O)c1ccc(NCC(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cc1 ZINC000045324605 563189270 /nfs/dbraw/zinc/18/92/70/563189270.db2.gz QTIUDCMYQDQBEX-UHFFFAOYSA-N 0 0 479.515 5.186 1 0 JKAFRN CC(=O)Nc1cccc(-c2cn(-c3ccc(OCc4cccc(F)c4)c(Cl)c3)c3ncncc23)c1 ZINC000045324973 563189417 /nfs/dbraw/zinc/18/94/17/563189417.db2.gz ZYXBDRDFZDZIGK-UHFFFAOYSA-N 0 0 486.934 6.417 1 0 JKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OC(F)(F)F)cc(-c3cccnc3)c1)CC2 ZINC000045334856 563189776 /nfs/dbraw/zinc/18/97/76/563189776.db2.gz PLPFIMGOJTYGRW-UHFFFAOYSA-N 0 0 497.395 6.269 1 0 JKAFRN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1 ZINC000045335164 563189940 /nfs/dbraw/zinc/18/99/40/563189940.db2.gz OACCOTKGQRVOEE-UHFFFAOYSA-N 0 0 476.536 6.718 1 0 JKAFRN O=C(Nc1cscc1NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045335544 563190017 /nfs/dbraw/zinc/19/00/17/563190017.db2.gz VYMBBCDTNRCRMP-UHFFFAOYSA-N 0 0 458.383 6.290 1 0 JKAFRN O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c32)c(Cl)cc1Cl)c1cccc(OC(F)(F)F)c1 ZINC000045336116 563190226 /nfs/dbraw/zinc/19/02/26/563190226.db2.gz NZCBMTZWCOBWME-UHFFFAOYSA-N 0 0 498.244 6.106 1 0 JKAFRN O=S(=O)(NCC[C@H]1CC[C@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)C1CC1 ZINC000045336616 563190346 /nfs/dbraw/zinc/19/03/46/563190346.db2.gz HFBYNEWDVVKUEL-IVZQSRNASA-N 0 0 487.880 6.076 1 0 JKAFRN O=C(Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045337186 563190415 /nfs/dbraw/zinc/19/04/15/563190415.db2.gz NINVBWAPGNQFKF-UHFFFAOYSA-N 0 0 452.354 6.229 1 0 JKAFRN O=C(Nc1ccc(Oc2cccc3[nH]c(=O)[nH]c32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000045339414 563191084 /nfs/dbraw/zinc/19/10/84/563191084.db2.gz XMGDSEVJBYQYST-UHFFFAOYSA-N 0 0 462.815 5.965 1 0 JKAFRN CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1 ZINC000045339701 563191164 /nfs/dbraw/zinc/19/11/64/563191164.db2.gz VVKWAMAHKACEKF-UHFFFAOYSA-N 0 0 458.505 6.214 1 0 JKAFRN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3c(ccc(Br)c3C)o2)cc1 ZINC000045340110 563191270 /nfs/dbraw/zinc/19/12/70/563191270.db2.gz DGYCZWDYJSYRQN-UHFFFAOYSA-N 0 0 451.320 5.892 1 0 JKAFRN CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3c(C)nc4c3cccc4Cl)c2)c1 ZINC000045348063 563191434 /nfs/dbraw/zinc/19/14/34/563191434.db2.gz LMTALPSNYCOGGX-UHFFFAOYSA-N 0 0 461.370 6.227 1 0 JKAFRN Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1F ZINC000045350234 563191626 /nfs/dbraw/zinc/19/16/26/563191626.db2.gz QSJYEDBNXXEBDB-VOIUYBSRSA-N 0 0 466.786 8.125 1 0 JKAFRN Cc1nc2c(cccc2C(F)(F)F)n1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1 ZINC000045351039 563191822 /nfs/dbraw/zinc/19/18/22/563191822.db2.gz SNVDXERLZQEYID-UHFFFAOYSA-N 0 0 464.440 5.688 1 0 JKAFRN COc1ccc(-c2noc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1 ZINC000045351639 563191836 /nfs/dbraw/zinc/19/18/36/563191836.db2.gz AEJCKEFGOBKHTE-UHFFFAOYSA-N 0 0 462.502 5.204 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2c(c1)C([C@@H]1CCC[N@@H+](C)C1)=C(C)C2 ZINC000045351409 563191858 /nfs/dbraw/zinc/19/18/58/563191858.db2.gz RGKWHNGPDHWWMY-GOSISDBHSA-N 0 0 487.090 6.335 1 0 JKAFRN O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000045356036 563192284 /nfs/dbraw/zinc/19/22/84/563192284.db2.gz APFIMMRBLUEEJX-HKBQPEDESA-N 0 0 496.054 6.412 1 0 JKAFRN Cc1cc2nc(N3CC[C@@H](O)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045355458 563192317 /nfs/dbraw/zinc/19/23/17/563192317.db2.gz VKQCEOHWVHWPBJ-HXUWFJFHSA-N 0 0 477.649 5.408 1 0 JKAFRN Cc1sc(C)c(C(=O)NC2(c3ccc(-c4nn[nH]n4)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1 ZINC000045357451 563192588 /nfs/dbraw/zinc/19/25/88/563192588.db2.gz FMLJGBDOSCBJBZ-UHFFFAOYSA-N 0 0 497.546 5.574 1 0 JKAFRN CCOc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045358970 563192843 /nfs/dbraw/zinc/19/28/43/563192843.db2.gz YJEPQHOFFLZJEH-UHFFFAOYSA-N 0 0 451.473 5.852 1 0 JKAFRN O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c32)c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000045364958 563192883 /nfs/dbraw/zinc/19/28/83/563192883.db2.gz UMKFRNOJMMUSEL-UHFFFAOYSA-N 0 0 479.418 5.105 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000045365134 563192899 /nfs/dbraw/zinc/19/28/99/563192899.db2.gz JWHAZXDKSGAIEK-JGCGQSQUSA-N 0 0 495.066 6.796 1 0 JKAFRN Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1 ZINC000045364755 563192918 /nfs/dbraw/zinc/19/29/18/563192918.db2.gz TXKFTWAELLNECY-UHFFFAOYSA-N 0 0 474.504 6.303 1 0 JKAFRN C[C@H](NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1)C(C)(C)C ZINC000045364709 563192928 /nfs/dbraw/zinc/19/29/28/563192928.db2.gz YXWMDLNFPYAKTI-INIZCTEOSA-N 0 0 497.430 5.650 1 0 JKAFRN Cn1ncc(Br)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)(F)F ZINC000045366479 563193155 /nfs/dbraw/zinc/19/31/55/563193155.db2.gz JCEKFLMKRPIGFR-UHFFFAOYSA-N 0 0 489.679 6.046 1 0 JKAFRN O=C(COc1ccc(F)cc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 ZINC000045367544 563193327 /nfs/dbraw/zinc/19/33/27/563193327.db2.gz KHWGVPOXFZQODO-UHFFFAOYSA-N 0 0 467.298 5.293 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@@H]2c2cccnc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368607 563193427 /nfs/dbraw/zinc/19/34/27/563193427.db2.gz DGDQLDDRXYYINZ-DENIHFKCSA-N 0 0 454.361 5.238 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@@H]2c2ccncc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368596 563193441 /nfs/dbraw/zinc/19/34/41/563193441.db2.gz MXWZXJYXUPDICA-DENIHFKCSA-N 0 0 454.361 5.238 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@H]2c2ccncc2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000045368599 563193451 /nfs/dbraw/zinc/19/34/51/563193451.db2.gz MXWZXJYXUPDICA-UGKGYDQZSA-N 0 0 454.361 5.238 1 0 JKAFRN CC[NH+](CC)CCN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1 ZINC000045369348 563193609 /nfs/dbraw/zinc/19/36/09/563193609.db2.gz DSTHNNYWQPWQFA-UHFFFAOYSA-N 0 0 479.621 5.447 1 0 JKAFRN CCCCCOc1cccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c1 ZINC000045370727 563193690 /nfs/dbraw/zinc/19/36/90/563193690.db2.gz PHERQLRBTMSYFP-UHFFFAOYSA-N 0 0 466.533 7.315 1 0 JKAFRN C[C@@H](CC(=O)NC1CCCCC1)CC(=O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000045371473 563193752 /nfs/dbraw/zinc/19/37/52/563193752.db2.gz OOSKVSGVEVXFST-ZTOMLWHTSA-N 0 0 496.095 5.439 1 0 JKAFRN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371545 563193770 /nfs/dbraw/zinc/19/37/70/563193770.db2.gz ACYTXYAEDZFNMX-DQEYMECFSA-N 0 0 459.546 5.244 1 0 JKAFRN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000045371536 563193773 /nfs/dbraw/zinc/19/37/73/563193773.db2.gz ACYTXYAEDZFNMX-LOSJGSFVSA-N 0 0 459.546 5.244 1 0 JKAFRN Clc1cccc2oc(SCc3ccc(CSc4nc5c(cccc5Cl)o4)cc3)nc21 ZINC000045371138 563193774 /nfs/dbraw/zinc/19/37/74/563193774.db2.gz BJQLGWAOEDIKMJ-UHFFFAOYSA-N 0 0 473.406 7.860 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000045371515 563193787 /nfs/dbraw/zinc/19/37/87/563193787.db2.gz FBNLNGWXFXPBHI-UHFFFAOYSA-N 0 0 486.799 6.882 1 0 JKAFRN Fc1ccc(C[C@H]2CC[C@H](c3ccc(Cl)cc3)N(c3ccc(Cl)cc3Cl)C2)cc1F ZINC000045372482 563193858 /nfs/dbraw/zinc/19/38/58/563193858.db2.gz WGKCYRNWFRCSGK-WAIKUNEKSA-N 0 0 466.786 8.125 1 0 JKAFRN Cc1c(C(=O)N(C)Cc2ccc(I)cc2)nc2ccccc2c1-c1ccccc1 ZINC000045373852 563194012 /nfs/dbraw/zinc/19/40/12/563194012.db2.gz FYDSYDCURCFGEG-UHFFFAOYSA-N 0 0 492.360 6.087 1 0 JKAFRN CC(C)c1ccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c(C3CC3)nc3ccccc32)cc1 ZINC000045374879 563194176 /nfs/dbraw/zinc/19/41/76/563194176.db2.gz FEPJADOMFNWTAH-OKYCLFFTSA-N 0 0 459.611 6.467 1 0 JKAFRN CC(C)Oc1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000045385993 563194473 /nfs/dbraw/zinc/19/44/73/563194473.db2.gz DECDFQULNXAGMO-UHFFFAOYSA-N 0 0 465.500 6.241 1 0 JKAFRN COc1ccc(-c2csc3c2-n2cc(-c4cc(OC)c(OC)c(OC)c4)cc2C3=O)cc1O ZINC000045386938 563194526 /nfs/dbraw/zinc/19/45/26/563194526.db2.gz RXVPYEZONPXKNJ-UHFFFAOYSA-N 0 0 463.511 5.157 1 0 JKAFRN O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C[C@H](CCO)c3cccc(Br)c32)CC1 ZINC000045387185 563194614 /nfs/dbraw/zinc/19/46/14/563194614.db2.gz FIAGRZHTDXBMMS-QQKFORFPSA-N 0 0 487.482 5.187 1 0 JKAFRN CN(C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccoc1)C1CC[NH+](C)CC1 ZINC000045387050 563194626 /nfs/dbraw/zinc/19/46/26/563194626.db2.gz PDPAKDRWKAZOJT-UHFFFAOYSA-N 0 0 477.605 5.200 1 0 JKAFRN O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C[C@@H](CCO)c3cccc(Br)c32)CC1 ZINC000045387189 563194634 /nfs/dbraw/zinc/19/46/34/563194634.db2.gz FIAGRZHTDXBMMS-JRALVHJQSA-N 0 0 487.482 5.187 1 0 JKAFRN O=C(CCC(=O)N1CCCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)NC1CCCCC1 ZINC000045388369 563194841 /nfs/dbraw/zinc/19/48/41/563194841.db2.gz XLWGJZLLISGJKN-MUUNZHRXSA-N 0 0 482.068 5.193 1 0 JKAFRN CC(C)c1nc2c(cccc2C(F)(F)F)n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000045389151 563194892 /nfs/dbraw/zinc/19/48/92/563194892.db2.gz SWIBRLXHJPCKAR-UHFFFAOYSA-N 0 0 474.504 6.364 1 0 JKAFRN CCOC(=O)c1c2cc(O)ccc2n(-c2ccc(-c3ccccc3)cc2)c1Cc1cccc(Cl)c1 ZINC000045389899 563194976 /nfs/dbraw/zinc/19/49/76/563194976.db2.gz AQLIJDZJAUVNPS-UHFFFAOYSA-N 0 0 481.979 7.424 1 0 JKAFRN Cc1nc2c(C(F)(F)F)cccn2c1-c1cccc(Oc2cccc(S(=O)(=O)CCCO)c2)c1 ZINC000045389854 563194987 /nfs/dbraw/zinc/19/49/87/563194987.db2.gz BEGFQLFGEWZPNM-UHFFFAOYSA-N 0 0 490.503 5.277 1 0 JKAFRN Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1cccc(OCCCO)c1)c3-c1ccccc1 ZINC000045390263 563195021 /nfs/dbraw/zinc/19/50/21/563195021.db2.gz TXIBFBFLLFEWIB-UHFFFAOYSA-N 0 0 454.478 5.507 1 0 JKAFRN Cc1cc(=O)oc2c3c(ccc12)oc(C(=O)c1cccs1)c3-c1cccc(Br)c1 ZINC000045392580 563195257 /nfs/dbraw/zinc/19/52/57/563195257.db2.gz ZVLRTTVLKIEQBC-UHFFFAOYSA-N 0 0 465.324 6.570 1 0 JKAFRN COC(=O)[C@]1(Cc2cc3ccccc3[nH]2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000045484161 563195388 /nfs/dbraw/zinc/19/53/88/563195388.db2.gz YVYUQCPKXNZNMA-LXANVCGNSA-N 0 0 499.614 6.326 1 0 JKAFRN O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccs1)C(F)(F)F ZINC000045495283 563195556 /nfs/dbraw/zinc/19/55/56/563195556.db2.gz 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496.481 5.142 1 0 JKAFRN O=C1O[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)C(c2ccc(F)cc2)C1=O ZINC000045497919 563196128 /nfs/dbraw/zinc/19/61/28/563196128.db2.gz UGAYWUWEBQKWHL-GDLZYMKVSA-N 0 0 482.507 6.551 1 0 JKAFRN COC(=O)Cc1cc(O)cc(C/C=C(/C)CCC(=O)[C@H](C)CC/C=C(\C)C[C@H](O)C=C(C)C)c1O ZINC000045497892 563196137 /nfs/dbraw/zinc/19/61/37/563196137.db2.gz LNFJRIGXMMFYGW-ZWZIDIPZSA-N 0 0 486.649 5.731 1 0 JKAFRN O=C(NC1CCCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000045497970 563196190 /nfs/dbraw/zinc/19/61/90/563196190.db2.gz YTVMPMNEIJFXJB-DEOSSOPVSA-N 0 0 494.894 6.786 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000045498354 563196191 /nfs/dbraw/zinc/19/61/91/563196191.db2.gz YZTMIVVMHVEJFP-FBFNHCROSA-N 0 0 488.709 5.018 1 0 JKAFRN CCCP(=O)(CCC)c1ccc(Nc2nc(C(C)C)nc3c2ncn3/C=C/c2ccccc2)cc1 ZINC000045498266 563196194 /nfs/dbraw/zinc/19/61/94/563196194.db2.gz IQPVVCXHSILADO-WUKNDPDISA-N 0 0 487.588 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0 0 465.343 5.918 1 0 biogenic,in-vitro JKAFRN Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000014829497 291604874 /nfs/dbraw/zinc/60/48/74/291604874.db2.gz FQWLMRXWKZGLFI-VDPVFUKISA-N 0 0 454.478 5.651 1 0 endogenous,in-man JKAFRN CC(C)C[C@H]1CC(=O)N([C@@]2(C(=O)NCCc3ccccc3)CC[C@@H]3Cc4ccccc4C[C@@H]3C2)C1 ZINC000033436038 519404359 /nfs/dbraw/zinc/40/43/59/519404359.db2.gz FBKIOMFTBNWZDO-DENCJKEESA-N 0 0 472.673 5.194 2 0 JKAFRN COc1ccc(C(=O)[C@@H](C(=O)CCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000102922279 536782141 /nfs/dbraw/zinc/78/21/41/536782141.db2.gz YMTGFFPLZMCYTL-XMMPIXPASA-N 0 0 469.459 5.669 1 0 JKAFRN C[C@H]1C[C@H](C)[C@H]2N(C1)c1ccccc1CC21C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000008768147 554668718 /nfs/dbraw/zinc/66/87/18/554668718.db2.gz PNEXRBJLDIFDPO-ISJBWFOZSA-N 0 0 479.580 5.280 2 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC[C@H](C(C)C)[C@@]4(C)CC[C@]23C)C1(C)C ZINC000255228986 560041522 /nfs/dbraw/zinc/04/15/22/560041522.db2.gz LVDIOSHGTKUVMX-VAIAOTJPSA-N 0 0 468.766 8.740 1 0 biogenic JKAFRN CCCCC/C=C/C=C/C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C ZINC000103550667 560051725 /nfs/dbraw/zinc/05/17/25/560051725.db2.gz JZIBSDBSLIKLEM-BLAOBPNLSA-N 0 0 482.661 5.086 1 0 biogenic,in-vitro JKAFRN CO[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)C[C@]1(C)CC[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC3 ZINC000095913568 560056650 /nfs/dbraw/zinc/05/66/50/560056650.db2.gz KLHCNYCAHCOQFG-JOURLXDASA-N 0 0 454.739 8.146 1 0 biogenic,in-vitro JKAFRN CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3=O ZINC000095098939 560062804 /nfs/dbraw/zinc/06/28/04/560062804.db2.gz BVJDDPRBYGBPKD-IERVKHSNSA-N 0 0 456.711 6.764 1 0 biogenic,in-vitro JKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]3(C)C[C@@H](O)[C@@]45CC[C@@](C)(C[C@H]4[C@]3(C)CC[C@]12C)C(=O)OC5 ZINC000085642854 560067461 /nfs/dbraw/zinc/06/74/61/560067461.db2.gz BVZOXPCXYRGXKC-AFXDYEAPSA-N 0 0 470.694 5.945 1 0 biogenic,in-vitro JKAFRN CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000085629211 560068565 /nfs/dbraw/zinc/06/85/65/560068565.db2.gz VKLHPLIHCYBKNZ-SKVJQKLOSA-N 0 0 452.635 6.406 1 0 biogenic,in-vitro JKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)Cc5ccccc5)[C@]4(CC3)[C@@H]21 ZINC000085571555 560069749 /nfs/dbraw/zinc/06/97/49/560069749.db2.gz HFWFCJWMEGXDRR-FDPQZROFSA-N 0 0 470.609 6.596 1 0 biogenic,in-vitro JKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cccc(O)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571529 560069767 /nfs/dbraw/zinc/06/97/67/560069767.db2.gz WYKZJGGAYVCQCL-SNHNQPCXSA-N 0 0 472.581 6.360 1 0 biogenic,in-vitro JKAFRN COc1cc2c(c3c1-c1ccc(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(OC3CCCC3)c1)O2 ZINC000085568667 560070160 /nfs/dbraw/zinc/07/01/60/560070160.db2.gz NXYOGJTUWMOZJA-GIGWZHCTSA-N 0 0 474.553 5.231 1 0 biogenic,in-vitro JKAFRN COc1cc2c(c3c1-c1ccc(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(OC3CCCCC3)c1)O2 ZINC000085568666 560070174 /nfs/dbraw/zinc/07/01/74/560070174.db2.gz NVMSLZIHIAOYLY-RNAHPLFWSA-N 0 0 488.580 5.621 1 0 biogenic,in-vitro JKAFRN COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)c3ccccc3c2-4)ccc1O ZINC000085568652 560070177 /nfs/dbraw/zinc/07/01/77/560070177.db2.gz BFNLCKUZCBQOJX-BTYSJIOQSA-N 0 0 470.521 5.071 1 0 biogenic,in-vitro JKAFRN CCCCC[C@@H](O)/C=C\CCCC[C@H](CC[NH3+])[C@H](CCc1ccccc1)[C@H](C(=O)[O-])[C@H](C)O ZINC000085505752 560074700 /nfs/dbraw/zinc/07/47/00/560074700.db2.gz BRNKVMOXCISYGJ-SOKGRBRKSA-N 0 0 461.687 5.340 1 0 biogenic,in-vitro JKAFRN CC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CC[NH3+])[C@H](CCc1ccccc1)CC(=O)[O-] ZINC000085505816 560074713 /nfs/dbraw/zinc/07/47/13/560074713.db2.gz RPLVBBUZEDABLJ-WUPUTWHLSA-N 0 0 455.727 7.788 1 0 biogenic,in-vitro JKAFRN [NH3+]CCC1=C[C@@H](CCCCCC[C@@H]2C/C(=C/CCC(=O)[O-])CC[C@H]2c2ccc(O)cc2)CC1 ZINC000085489155 560075620 /nfs/dbraw/zinc/07/56/20/560075620.db2.gz ZKVHWSBWDRKUQM-XSTBMPJCSA-N 0 0 453.667 7.093 1 0 biogenic,in-vitro JKAFRN [NH3+]CCC1=C[C@@H](CCCCCC[C@H](C/C=C/C[C@@H](CCCO)C(=O)[O-])Cc2ccc(O)cc2)CC1 ZINC000085489207 560075639 /nfs/dbraw/zinc/07/56/39/560075639.db2.gz VGUYQLFNHXXMPS-QEBOTNLLSA-N 0 0 485.709 6.386 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@@]1(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C1=O ZINC000036445727 560086645 /nfs/dbraw/zinc/08/66/45/560086645.db2.gz QVUJYADKXQKJHK-CGWFDZAZSA-N 0 0 458.683 7.041 1 0 biogenic,in-vitro JKAFRN CC1(C)CC[C@@]23C[C@@H](CC2=O)[C@]2(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]42C)[C@@H]3C1 ZINC000033834118 560088018 /nfs/dbraw/zinc/08/80/18/560088018.db2.gz QTTKBQHARAACEE-XYHRDEOSSA-N 0 0 452.723 7.348 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000033832879 560088250 /nfs/dbraw/zinc/08/82/50/560088250.db2.gz BBIBQROZEQEFRD-OHZYSGNBSA-N 0 0 468.766 8.740 1 0 biogenic,in-vitro JKAFRN C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(CCCO)[C@H](O)C3)CCC[C@@]21C ZINC000013977454 560221000 /nfs/dbraw/zinc/22/10/00/560221000.db2.gz OETBDAZRINTQAP-LIGXWKRTSA-N 0 0 462.715 5.537 1 0 in-vitro JKAFRN CC/C=C(\C)[C@@H](OC)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656167 560223993 /nfs/dbraw/zinc/22/39/93/560223993.db2.gz DEWASTJBTDQVAF-QQGOQBDWSA-N 0 0 459.627 5.740 1 0 in-vitro JKAFRN CC/C=C(\C)[C@@H](OC)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1c(C)c(O)c(OC)c(OC)[n+]1[O-] ZINC000014656173 560224149 /nfs/dbraw/zinc/22/41/49/560224149.db2.gz DEWASTJBTDQVAF-YCTUDLKHSA-N 0 0 459.627 5.740 1 0 in-vitro JKAFRN O=C([O-])CC/C=C/CC[C@@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@H]1[NH+]1CCCCC1 ZINC000014951799 560227570 /nfs/dbraw/zinc/22/75/70/560227570.db2.gz GQGRDYWMOPRROR-XCQYSTTJSA-N 0 0 477.645 5.675 1 0 in-vitro JKAFRN COc1ccc([C@]2(Cc3ccncc3)CCN(C(=O)OC(C)(C)C)C2=O)cc1OC1CCCC1 ZINC000000579046 562918034 /nfs/dbraw/zinc/91/80/34/562918034.db2.gz VNMFECKPJDGTEJ-HHHXNRCGSA-N 0 0 466.578 5.060 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12 ZINC000000588466 562918049 /nfs/dbraw/zinc/91/80/49/562918049.db2.gz WMAATFOSBVBQSU-UHFFFAOYSA-N 0 0 479.751 5.349 1 0 JKAFRN Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 ZINC000000592840 562918192 /nfs/dbraw/zinc/91/81/92/562918192.db2.gz AMCDXJQVSVQTRW-UHFFFAOYSA-N 0 0 472.492 5.250 1 0 JKAFRN Brc1ccc2c(-c3c[nH]c(-c4c[nH]c5cc(Br)ccc45)n3)c[nH]c2c1 ZINC000000597684 562918284 /nfs/dbraw/zinc/91/82/84/562918284.db2.gz BIGUXWQKCPFOAH-UHFFFAOYSA-N 0 0 456.141 6.231 1 0 JKAFRN COc1ccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2Br)cc1OC ZINC000000603381 562918633 /nfs/dbraw/zinc/91/86/33/562918633.db2.gz XNQHYHRSMJXZDN-QGZVFWFLSA-N 0 0 483.406 5.670 1 0 JKAFRN C[C@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000606134 562918740 /nfs/dbraw/zinc/91/87/40/562918740.db2.gz URCZJSKTKVZELY-VWLOTQADSA-N 0 0 490.607 6.909 1 0 JKAFRN Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 ZINC000000838593 562919256 /nfs/dbraw/zinc/91/92/56/562919256.db2.gz XXRAFEGBKSUIRZ-UHFFFAOYSA-N 0 0 497.407 5.911 1 0 JKAFRN CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000847723 562919301 /nfs/dbraw/zinc/91/93/01/562919301.db2.gz XJPNZIDAHGPRIT-AVRWGWEMSA-N 0 0 463.530 5.174 1 0 JKAFRN COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(-c5ccccc5)cs4)n3c2c1 ZINC000000928408 562919529 /nfs/dbraw/zinc/91/95/29/562919529.db2.gz FJHOCYUVDGJCBN-UHFFFAOYSA-N 0 0 461.572 5.054 3 0 JKAFRN CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 ZINC000000930743 562919556 /nfs/dbraw/zinc/91/95/56/562919556.db2.gz SQZZAMAPFCRLER-UHFFFAOYSA-N 0 0 463.537 5.910 1 0 JKAFRN CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccccc1)Cc1cccc(-c2cc[nH]n2)c1 ZINC000001487392 562920292 /nfs/dbraw/zinc/92/02/92/562920292.db2.gz XCMUCRXXBCAKCO-UHFFFAOYSA-N 0 0 489.670 6.458 1 0 JKAFRN 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LULPERCPKOMIBN-UHFFFAOYSA-N 0 0 491.444 5.439 3 0 JKAFRN COc1ccc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3Cc3ccc(C)cc3)n2)cc1 ZINC000012507289 562960418 /nfs/dbraw/zinc/96/04/18/562960418.db2.gz JJRCXASOGOJHRF-QHCPKHFHSA-N 0 0 470.598 5.671 3 0 JKAFRN COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1 ZINC000012507260 562960422 /nfs/dbraw/zinc/96/04/22/562960422.db2.gz CHKMPGCMIMBJOZ-ZDUSSCGKSA-N 0 0 477.417 6.031 3 0 JKAFRN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H]2Cn3c4ccccc4nc3[C@@H]2N1Cc1ccccc1 ZINC000012509421 562960466 /nfs/dbraw/zinc/96/04/66/562960466.db2.gz MHQRMVVVIBENEM-DCEDVJGZSA-N 0 0 490.529 5.317 3 0 JKAFRN C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCOCCO ZINC000012507274 562960485 /nfs/dbraw/zinc/96/04/85/562960485.db2.gz UIMSMVNTSYWBNP-CYBMUJFWSA-N 0 0 495.407 5.788 3 0 JKAFRN CCCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725734 562960756 /nfs/dbraw/zinc/96/07/56/562960756.db2.gz GKUWNODBXRONFI-UHFFFAOYSA-N 0 0 457.983 5.080 3 0 JKAFRN CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC=C2[C@@H]3C[C@@](C)(CO)[C@@H]4C[C@@]3(CC[C@]21C)C(=O)O4 ZINC000012726365 562960808 /nfs/dbraw/zinc/96/08/08/562960808.db2.gz CHTCCKSXBYVSBJ-PWBCACAPSA-N 0 0 470.694 5.657 3 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CO)[C@@H]6C[C@@]5(CC[C@]43C)C(=O)O6)[C@@]2(C)CC[C@@H]1O ZINC000012726367 562960833 /nfs/dbraw/zinc/96/08/33/562960833.db2.gz CHTCCKSXBYVSBJ-OGKPSKQVSA-N 0 0 470.694 5.657 3 0 JKAFRN O=S(=O)(c1ccccc1)[C@@]1(c2ccc(Br)cc2)C[C@@H]2ON=C(c3ccccc3)[C@@H]2C1 ZINC000012726574 562960898 /nfs/dbraw/zinc/96/08/98/562960898.db2.gz JPJARHKRDYTHJF-AOHZBQACSA-N 0 0 482.399 5.331 3 0 JKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(Cc3ccco3)c3cc(F)ccc23)CC1 ZINC000012914483 562961044 /nfs/dbraw/zinc/96/10/44/562961044.db2.gz KNYOPRPVODEZLY-UHFFFAOYSA-N 0 0 462.521 5.378 1 0 JKAFRN Oc1cc(O)cc(CCCCCCCCC/C=C\CCCCCCCCCc2cc(O)cc(O)c2)c1 ZINC000013377858 562962109 /nfs/dbraw/zinc/96/21/09/562962109.db2.gz VCUZIGUMUKBBSU-UPHRSURJSA-N 0 0 496.732 9.092 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2ccc(NC(=O)N3CCCC3)cc2)cc1OC1CCCC1 ZINC000013442023 562963484 /nfs/dbraw/zinc/96/34/84/562963484.db2.gz LBUZDUMCJGWANT-HHHXNRCGSA-N 0 0 485.628 6.414 1 0 JKAFRN O=C(OCCCc1ccc(Cl)cc1)[C@@H]1CCCN1C(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000013441732 562963504 /nfs/dbraw/zinc/96/35/04/562963504.db2.gz LCSSKRCIUFMKLI-LFCNWEHWSA-N 0 0 461.071 5.124 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2cccc(OCc3ccccc3)c2)cc1OC1CCCC1 ZINC000013442050 562963549 /nfs/dbraw/zinc/96/35/49/562963549.db2.gz BZCSHGHLEFDUDK-SSEXGKCCSA-N 0 0 479.620 7.365 1 0 JKAFRN [O-][n+]1ccc(C[C@H](c2ccc(C3(O)CCC3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013442119 562963554 /nfs/dbraw/zinc/96/35/54/562963554.db2.gz BQBXUBKPGWCNFW-HXUWFJFHSA-N 0 0 477.454 5.269 1 0 JKAFRN O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccc(Br)cc1 ZINC000013442407 562963678 /nfs/dbraw/zinc/96/36/78/562963678.db2.gz LQUGDEWJKLEGOJ-UHFFFAOYSA-N 0 0 475.339 5.071 1 0 JKAFRN O=C(Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(=O)C1CC1)C2)c1ccccc1 ZINC000013442716 562963763 /nfs/dbraw/zinc/96/37/63/562963763.db2.gz WWRNKLLCTJRYSI-UHFFFAOYSA-N 0 0 464.974 5.180 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cnc2ccccc2c1 ZINC000013447010 562964282 /nfs/dbraw/zinc/96/42/82/562964282.db2.gz BHLFQSQXXBNXJD-LJAQVGFWSA-N 0 0 498.671 6.266 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1cccnc1 ZINC000013447021 562964311 /nfs/dbraw/zinc/96/43/11/562964311.db2.gz NCNZGRCYGXHREC-QLWPUQSHSA-N 0 0 474.649 5.513 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 ZINC000013446998 562964321 /nfs/dbraw/zinc/96/43/21/562964321.db2.gz DVRATNSLOSMOJB-SANMLTNESA-N 0 0 482.068 6.371 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C)c1 ZINC000013447071 562964365 /nfs/dbraw/zinc/96/43/65/562964365.db2.gz MJFWJRHZFCTBNY-HHHXNRCGSA-N 0 0 476.665 6.418 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1c[nH]c2ccccc12 ZINC000013447051 562964400 /nfs/dbraw/zinc/96/44/00/562964400.db2.gz OSZKJFRWKIVKOT-MUUNZHRXSA-N 0 0 486.660 6.199 1 0 JKAFRN C[C@](CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013454111 562964894 /nfs/dbraw/zinc/96/48/94/562964894.db2.gz HJWDJTOGNAACSO-OTQXRVKOSA-N 0 0 484.684 7.433 1 0 JKAFRN Cc1c[n+](Cc2cccc(O[P@](=O)([O-])Oc3ccc(OCc4ccccc4)cc3)c2)cs1 ZINC000013454834 562964970 /nfs/dbraw/zinc/96/49/70/562964970.db2.gz GWFNNTQCECUDFY-UHFFFAOYSA-O 0 0 468.491 5.530 1 0 JKAFRN CC(C)(C)c1cc(O[P@](=O)([O-])Oc2cccc(C[n+]3ccsc3)c2)cc(C(C)(C)C)c1 ZINC000013454842 562964975 /nfs/dbraw/zinc/96/49/75/562964975.db2.gz DYZMEZNNNBJCOF-UHFFFAOYSA-O 0 0 460.556 6.237 1 0 JKAFRN COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 ZINC000013455680 562965066 /nfs/dbraw/zinc/96/50/66/562965066.db2.gz WGBUMONGBSKHGZ-GOSISDBHSA-N 0 0 466.597 5.076 1 0 JKAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)OC(C)(C)C)CC1 ZINC000013455600 562965075 /nfs/dbraw/zinc/96/50/75/562965075.db2.gz MIQIHSXORHGEFV-IBGZPJMESA-N 0 0 495.635 7.223 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1c(O)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455591 562965099 /nfs/dbraw/zinc/96/50/99/562965099.db2.gz KTSDDLBDDUMCFW-GOSISDBHSA-N 0 0 466.597 5.034 1 0 JKAFRN C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000013455622 562965117 /nfs/dbraw/zinc/96/51/17/562965117.db2.gz RCWCXJOHIDVJFW-LJQANCHMSA-N 0 0 480.624 5.376 1 0 JKAFRN CC(C)c1nn(-c2nc3ccccc3s2)c(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 ZINC000013456083 562965241 /nfs/dbraw/zinc/96/52/41/562965241.db2.gz HWIXFBNWTIZBJP-MCBHFWOFSA-N 0 0 477.561 5.491 1 0 JKAFRN COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471177 562965537 /nfs/dbraw/zinc/96/55/37/562965537.db2.gz XIPGMFZCORQMAY-HXUWFJFHSA-N 0 0 454.448 5.448 1 0 JKAFRN COC(=O)N[C@@H]1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1 ZINC000013471318 562965553 /nfs/dbraw/zinc/96/55/53/562965553.db2.gz OLXBRQXHOJCVJV-JOCHJYFZSA-N 0 0 462.977 6.171 1 0 JKAFRN COC(=O)N[C@@H]1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2CC1 ZINC000013471295 562965559 /nfs/dbraw/zinc/96/55/59/562965559.db2.gz NLYURQFDYAGQOK-JOCHJYFZSA-N 0 0 496.529 6.537 1 0 JKAFRN COC(=O)N[C@H]1CCc2ccc(NC(=O)c3cccc(C)c3-c3ccc(Cl)cc3)cc2CC1 ZINC000013471321 562965566 /nfs/dbraw/zinc/96/55/66/562965566.db2.gz OLXBRQXHOJCVJV-QFIPXVFZSA-N 0 0 462.977 6.171 1 0 JKAFRN Cc1ccc(-c2c(C)cccc2C(=O)Nc2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc1 ZINC000013471240 562965581 /nfs/dbraw/zinc/96/55/81/562965581.db2.gz UZHHQLXSRNDLIY-AREMUKBSSA-N 0 0 496.632 5.668 1 0 JKAFRN CCCCn1cc2c(n1)nc(NC(=O)Nc1ccc(Cl)c(Cl)c1)n1nc(-c3ccco3)nc21 ZINC000013472361 562965829 /nfs/dbraw/zinc/96/58/29/562965829.db2.gz YWJADWXQSSUICH-UHFFFAOYSA-N 0 0 485.335 5.485 1 0 JKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1Oc1ccccc1 ZINC000013472568 562966024 /nfs/dbraw/zinc/96/60/24/562966024.db2.gz BPRQZZHWCMZKSW-UHFFFAOYSA-N 0 0 472.500 6.892 1 0 JKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1C(=O)c1ccccc1 ZINC000013472570 562966041 /nfs/dbraw/zinc/96/60/41/562966041.db2.gz LAHDZMFYUYIFKH-UHFFFAOYSA-N 0 0 484.511 6.330 1 0 JKAFRN Cc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013472862 562966077 /nfs/dbraw/zinc/96/60/77/562966077.db2.gz OSBKVRQJIIMPNG-UHFFFAOYSA-N 0 0 463.836 7.905 1 0 JKAFRN CCCCc1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1 ZINC000013472868 562966096 /nfs/dbraw/zinc/96/60/96/562966096.db2.gz QRBBJUJDQHLOPJ-UHFFFAOYSA-N 0 0 451.014 5.974 1 0 JKAFRN Cc1c(COCc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013472863 562966098 /nfs/dbraw/zinc/96/60/98/562966098.db2.gz WHVJRROQXOKHMI-UHFFFAOYSA-N 0 0 475.778 7.664 1 0 JKAFRN COC(=O)C1=C(c2ccc(OC)cc2)c2cc(OC(C)C)ccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000013473500 562966277 /nfs/dbraw/zinc/96/62/77/562966277.db2.gz DMHKQOPIIDNFBQ-MHZLTWQESA-N 0 0 474.509 5.320 1 0 JKAFRN COC(=O)C1=C(c2ccc(OC)cc2)c2cc(OC(C)C)ccc2O[C@@H]1c1ccc2c(c1)OCO2 ZINC000013473499 562966292 /nfs/dbraw/zinc/96/62/92/562966292.db2.gz DMHKQOPIIDNFBQ-HHHXNRCGSA-N 0 0 474.509 5.320 1 0 JKAFRN CCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000013474257 562966682 /nfs/dbraw/zinc/96/66/82/562966682.db2.gz QRZDLEJRUISZCE-UHFFFAOYSA-N 0 0 464.824 7.118 1 0 JKAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccc(C)cc5)cc4)CC3)c2cc1OC ZINC000013474800 562966816 /nfs/dbraw/zinc/96/68/16/562966816.db2.gz HUHZGAWBFDEQRC-UHFFFAOYSA-N 0 0 499.571 5.102 1 0 JKAFRN COc1ccc2c(c1)CCN1Cc3c4c(ccc3O[C@H]21)[nH]c(C)c4C(=O)OCc1ccccc1 ZINC000013474833 562966888 /nfs/dbraw/zinc/96/68/88/562966888.db2.gz RNEMFGJTTJMEDD-HHHXNRCGSA-N 0 0 454.526 5.291 1 0 JKAFRN CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@H]1O3 ZINC000013474852 562966892 /nfs/dbraw/zinc/96/68/92/562966892.db2.gz 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JKAFRN O=C(Nc1cccc(F)c1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487496 562967811 /nfs/dbraw/zinc/96/78/11/562967811.db2.gz QEKZGRIPYCITHC-UHFFFAOYSA-N 0 0 459.329 6.852 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487970 562968025 /nfs/dbraw/zinc/96/80/25/562968025.db2.gz KVVNILHEEWTMAQ-NDEPHWFRSA-N 0 0 476.536 5.514 1 0 JKAFRN Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4c[nH]c5cccc3c45)cc2)cc1 ZINC000013487943 562968028 /nfs/dbraw/zinc/96/80/28/562968028.db2.gz TWJSVVKBRWHUPB-UHFFFAOYSA-N 0 0 485.587 6.989 1 0 JKAFRN Cc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487975 562968064 /nfs/dbraw/zinc/96/80/64/562968064.db2.gz CQGOCTBZUHLIEX-MUUNZHRXSA-N 0 0 460.537 5.814 1 0 JKAFRN Oc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000013487981 562968080 /nfs/dbraw/zinc/96/80/80/562968080.db2.gz KVCVUHRIAPECRG-MUUNZHRXSA-N 0 0 460.537 5.418 1 0 JKAFRN Clc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487976 562968108 /nfs/dbraw/zinc/96/81/08/562968108.db2.gz VPCHRIWMGQQHKZ-MHZLTWQESA-N 0 0 480.955 6.159 1 0 JKAFRN Oc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000013487980 562968110 /nfs/dbraw/zinc/96/81/10/562968110.db2.gz KVCVUHRIAPECRG-NDEPHWFRSA-N 0 0 460.537 5.418 1 0 JKAFRN CCCCOP(=O)(CCCCCSc1nc2ccc(OCC)cc2s1)OCCCC ZINC000013488981 562968397 /nfs/dbraw/zinc/96/83/97/562968397.db2.gz YQCYICVVCOPQOW-UHFFFAOYSA-N 0 0 473.641 7.784 1 0 JKAFRN CCCCOP(=O)(CCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)OCCCC ZINC000013488979 562968400 /nfs/dbraw/zinc/96/84/00/562968400.db2.gz PQEZMQMHYUPWIJ-UHFFFAOYSA-N 0 0 486.618 8.052 1 0 JKAFRN CCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCC ZINC000013488989 562968413 /nfs/dbraw/zinc/96/84/13/562968413.db2.gz POJZQDIBZSICRE-UHFFFAOYSA-N 0 0 483.467 6.068 1 0 JKAFRN CCc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCNc2ccc(OCc3ccccc3)cc2)cc1 ZINC000013490302 562969274 /nfs/dbraw/zinc/96/92/74/562969274.db2.gz WALQYOULPGRLLM-NDEPHWFRSA-N 0 0 487.644 5.201 1 0 JKAFRN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCNc1ccc(OCC2CCCC2)cc1 ZINC000013490287 562969288 /nfs/dbraw/zinc/96/92/88/562969288.db2.gz WGUXQVXFFLGYRB-SANMLTNESA-N 0 0 481.637 5.125 1 0 JKAFRN CCOc1cc2nc(CS(C)(=O)=O)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490826 562969324 /nfs/dbraw/zinc/96/93/24/562969324.db2.gz IMZLZAMSILAENM-UHFFFAOYSA-N 0 0 498.630 5.147 1 0 JKAFRN CCOc1cc2nc(C(F)(F)F)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490825 562969325 /nfs/dbraw/zinc/96/93/25/562969325.db2.gz UOPAUDYHKVVNCJ-UHFFFAOYSA-N 0 0 474.508 6.622 1 0 JKAFRN CCOc1cc2ncnc(Nc3cc(-c4csc(C)n4)ccc3Br)c2cc1OCC ZINC000013490813 562969329 /nfs/dbraw/zinc/96/93/29/562969329.db2.gz SIBFBOZEZCEYIA-UHFFFAOYSA-N 0 0 485.407 6.365 1 0 JKAFRN O[C@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000013490927 562969400 /nfs/dbraw/zinc/96/94/00/562969400.db2.gz ORTBBJOWXWISMK-HHHXNRCGSA-N 0 0 479.498 7.118 1 0 JKAFRN O[C@H](CN(Cc1cccc(C2CCCC2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490917 562969409 /nfs/dbraw/zinc/96/94/09/562969409.db2.gz RICDYPGUGQLMLN-AREMUKBSSA-N 0 0 455.520 7.066 1 0 JKAFRN O=c1ccc(-c2c(-c3ccc(F)cc3Cl)nc3ccccn32)nn1-c1c(Cl)cccc1Cl ZINC000013493043 562970154 /nfs/dbraw/zinc/97/01/54/562970154.db2.gz UKIUUWZOERDVQU-UHFFFAOYSA-N 0 0 485.733 6.314 1 0 JKAFRN O=C(/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1)Nc1ccccc1 ZINC000013493402 562970301 /nfs/dbraw/zinc/97/03/01/562970301.db2.gz MNXDDKPTUHZQGF-DEDYPNTBSA-N 0 0 454.551 5.806 1 0 JKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000013493824 562970330 /nfs/dbraw/zinc/97/03/30/562970330.db2.gz OLWMPQAMLNTFCC-UHFFFAOYSA-N 0 0 468.262 6.909 1 0 JKAFRN Cc1c(/C=C/CN2CCOCC2)[nH]c(=O)c2c3c(ccc12)nc(Nc1c(Cl)cccc1Cl)n3C ZINC000013494061 562970394 /nfs/dbraw/zinc/97/03/94/562970394.db2.gz WIOZREBVAPDXDM-QPJJXVBHSA-N 0 0 498.414 5.119 1 0 JKAFRN COc1cc2cncc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013528860 562971999 /nfs/dbraw/zinc/97/19/99/562971999.db2.gz FSNLVUZDIYPFFI-UHFFFAOYSA-N 0 0 484.556 5.398 1 0 JKAFRN CCCCO[C@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530144 562972176 /nfs/dbraw/zinc/97/21/76/562972176.db2.gz YZLDZNILTXOKEL-GOSISDBHSA-N 0 0 468.597 5.869 1 0 JKAFRN CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cc2c(Cl)n[nH]c21 ZINC000013531419 562972235 /nfs/dbraw/zinc/97/22/35/562972235.db2.gz INFOBXBCYAIDNC-UHFFFAOYSA-N 0 0 454.983 5.752 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1O)c1ccccc1-c1ccccc1 ZINC000013532194 562972344 /nfs/dbraw/zinc/97/23/44/562972344.db2.gz VEPHBJSUUHDIPP-UHFFFAOYSA-N 0 0 468.578 6.356 1 0 JKAFRN COC(=O)c1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)sc3c2)c(C)c1 ZINC000013533874 562972377 /nfs/dbraw/zinc/97/23/77/562972377.db2.gz VNVPVQWVVYAZRY-UHFFFAOYSA-N 0 0 455.536 5.299 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000013534072 562972438 /nfs/dbraw/zinc/97/24/38/562972438.db2.gz UKCYPBDXBICAOV-UHFFFAOYSA-N 0 0 454.914 6.294 1 0 JKAFRN O=C(NC/C=C\CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2 ZINC000013534397 562972469 /nfs/dbraw/zinc/97/24/69/562972469.db2.gz LFQZHAKGDXWDRR-ARJAWSKDSA-N 0 0 492.450 5.673 1 0 JKAFRN CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 ZINC000013534521 562972485 /nfs/dbraw/zinc/97/24/85/562972485.db2.gz GHIXXYCLZLTCLC-UHFFFAOYSA-N 0 0 453.567 5.671 1 0 JKAFRN O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2 ZINC000013534356 562972533 /nfs/dbraw/zinc/97/25/33/562972533.db2.gz XFOUSEPBBUXFFN-UHFFFAOYSA-N 0 0 480.439 5.507 1 0 JKAFRN CC(C)Oc1ccc2c(c1)ncnc2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013538350 562972906 /nfs/dbraw/zinc/97/29/06/562972906.db2.gz QXVHPYHFIHRJBM-UHFFFAOYSA-N 0 0 483.572 5.563 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C)c(C)cc32)cc1)OCC ZINC000013556706 562973814 /nfs/dbraw/zinc/97/38/14/562973814.db2.gz JEIKTXAQBVHZSS-JOCHJYFZSA-N 0 0 461.520 5.679 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C=CC[C@]34C)[C@]1(C)CC2 ZINC000013558239 562974339 /nfs/dbraw/zinc/97/43/39/562974339.db2.gz HYBACSMHICCUEF-JIXSQKAMSA-N 0 0 452.723 8.127 1 0 JKAFRN COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC(=O)/C=C/c1ccccc1 ZINC000013572689 562975592 /nfs/dbraw/zinc/97/55/92/562975592.db2.gz BYEWVAFGPDOITI-YRNVUSSQSA-N 0 0 482.444 5.319 3 0 JKAFRN COc1ccc(-c2c(=O)c3ccc(OCc4ccccc4)cc3oc2SCc2ccncc2)cc1 ZINC000013581382 562975837 /nfs/dbraw/zinc/97/58/37/562975837.db2.gz RLOJJLAHGWEVQX-UHFFFAOYSA-N 0 0 481.573 6.735 1 0 JKAFRN COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 ZINC000013581293 562975839 /nfs/dbraw/zinc/97/58/39/562975839.db2.gz TZZDJFFFVCVOMH-UHFFFAOYSA-N 0 0 450.487 5.192 1 0 JKAFRN Cc1ccc2c(-c3ccnc(Nc4ccc(Cl)c(C(F)(F)F)c4)n3)c(-c3ccccc3)nn2n1 ZINC000013582733 562975887 /nfs/dbraw/zinc/97/58/87/562975887.db2.gz UBHNWOSNJZLRHM-UHFFFAOYSA-N 0 0 480.881 6.578 1 0 JKAFRN Cc1ccc2c(-c3ccnc(Nc4ccc(F)c(F)c4)n3)c(-c3cccc(C(F)(F)F)c3)nn2n1 ZINC000013582741 562975907 /nfs/dbraw/zinc/97/59/07/562975907.db2.gz XRNHEFWKALUYJP-UHFFFAOYSA-N 0 0 482.416 6.202 1 0 JKAFRN Fc1ccc(Nc2nccc(-c3c4cccnn4nc3-c3ccc(C(F)(F)F)cc3)n2)cc1F ZINC000013582697 562975928 /nfs/dbraw/zinc/97/59/28/562975928.db2.gz KLEPBNXGYXGZGI-UHFFFAOYSA-N 0 0 468.389 5.894 1 0 JKAFRN CCCOc1nc2c(nc(OCCC)nc2N(C)Cc2ccccc2)c(N(C)Cc2ccccc2)n1 ZINC000013583388 562976107 /nfs/dbraw/zinc/97/61/07/562976107.db2.gz NMJRUXYIYOPQMO-UHFFFAOYSA-N 0 0 486.620 5.270 1 0 JKAFRN CCCC[C@H](NC(=O)OCC1(CC)CCCCC1)C(=O)C(=O)Nc1n[nH]c2cc(Cl)ccc21 ZINC000013583810 562976161 /nfs/dbraw/zinc/97/61/61/562976161.db2.gz ZAYIMILTPHVDFG-SFHVURJKSA-N 0 0 477.005 5.369 1 0 JKAFRN O=C(NC(=O)c1ccc(-c2cccc(OC(=O)NC3CCCCC3)c2)cc1)NC1CCCCC1 ZINC000013583461 562976162 /nfs/dbraw/zinc/97/61/62/562976162.db2.gz YTTVLIZXLBALKC-UHFFFAOYSA-N 0 0 463.578 5.547 1 0 JKAFRN COc1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584252 562976221 /nfs/dbraw/zinc/97/62/21/562976221.db2.gz HHDURAOHKSUNTC-HXUWFJFHSA-N 0 0 481.177 5.597 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12 ZINC000013585179 562976269 /nfs/dbraw/zinc/97/62/69/562976269.db2.gz LXYGBCHGOVEYQM-UHFFFAOYSA-N 0 0 463.752 5.231 1 0 JKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 ZINC000013586266 562976521 /nfs/dbraw/zinc/97/65/21/562976521.db2.gz VYHLLXUPTFDIMK-UHFFFAOYSA-N 0 0 495.044 6.361 1 0 JKAFRN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@](C)=O)cc3)n2C)ccn1 ZINC000013586239 562976535 /nfs/dbraw/zinc/97/65/35/562976535.db2.gz VVTJRDWPMQAZKW-UUWRZZSWSA-N 0 0 494.617 5.276 1 0 JKAFRN CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(SCc3ccc([S@@](C)=O)cc3)n2C)ccn1 ZINC000013586238 562976557 /nfs/dbraw/zinc/97/65/57/562976557.db2.gz VVTJRDWPMQAZKW-UMSFTDKQSA-N 0 0 494.617 5.276 1 0 JKAFRN CCCCC[C@@](O)(C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000013586443 562976640 /nfs/dbraw/zinc/97/66/40/562976640.db2.gz NBYUEJWMAQLROL-PMERELPUSA-N 0 0 456.630 5.388 1 0 JKAFRN O=C1NCc2nc(Sc3ccc(F)cc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587237 562976979 /nfs/dbraw/zinc/97/69/79/562976979.db2.gz WDCXQMIUZVKFEE-UHFFFAOYSA-N 0 0 454.741 6.693 1 0 JKAFRN O=C1NCc2nc(Sc3c(Cl)cccc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587240 562977039 /nfs/dbraw/zinc/97/70/39/562977039.db2.gz ZVNPBCJDAANIJX-UHFFFAOYSA-N 0 0 471.196 7.208 1 0 JKAFRN O=C1NCc2nc(Sc3ccccc3Br)ccc2N1c1c(Cl)cccc1Cl ZINC000013587242 562977050 /nfs/dbraw/zinc/97/70/50/562977050.db2.gz DZNGNORQVUAHBQ-UHFFFAOYSA-N 0 0 481.202 6.663 1 0 JKAFRN COc1ccc(NC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1OC ZINC000013588405 562977602 /nfs/dbraw/zinc/97/76/02/562977602.db2.gz ONAMHMYJUPKQQJ-UHFFFAOYSA-N 0 0 456.546 5.873 1 0 JKAFRN CCCC[C@H](NC(=O)O[C@@H](CCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589440 562977925 /nfs/dbraw/zinc/97/79/25/562977925.db2.gz AHUOWLUGBWTBSI-ZODMCCGTSA-N 0 0 480.649 5.765 1 0 JKAFRN CCCC[C@H](NC(=O)O[C@@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589442 562977930 /nfs/dbraw/zinc/97/79/30/562977930.db2.gz MXQQIWVURNRGKR-RZFJZAQRSA-N 0 0 494.676 6.156 1 0 JKAFRN Cc1cc(SCc2cnc3c(c2)C(=O)Nc2c(C)cc(Cl)nc2N3C2CC2)cc(C)n1 ZINC000013589476 562978011 /nfs/dbraw/zinc/97/80/11/562978011.db2.gz SNKPYTPMXOONSA-UHFFFAOYSA-N 0 0 451.983 5.609 1 0 JKAFRN CC(C)NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000013589530 562978097 /nfs/dbraw/zinc/97/80/97/562978097.db2.gz PRLFUSISELQPTQ-UHFFFAOYSA-N 0 0 492.885 6.328 1 0 JKAFRN CCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000013589528 562978105 /nfs/dbraw/zinc/97/81/05/562978105.db2.gz YENKTYRMOJFDJW-UHFFFAOYSA-N 0 0 478.858 5.940 1 0 JKAFRN Cc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589726 562978180 /nfs/dbraw/zinc/97/81/80/562978180.db2.gz MTKJJVQIOIGEFS-UHFFFAOYSA-N 0 0 476.363 6.344 1 0 JKAFRN Cc1cn(Cc2cccc3ccccc32)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589707 562978181 /nfs/dbraw/zinc/97/81/81/562978181.db2.gz QHBGWNQSFRIXFV-UHFFFAOYSA-N 0 0 460.364 7.105 1 0 JKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([C@H](C)O)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013589959 562978183 /nfs/dbraw/zinc/97/81/83/562978183.db2.gz BOQKRCLAJMWJDG-MIPMENHHSA-N 0 0 458.771 7.776 1 0 JKAFRN Cc1cn(CCCCc2ccccc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589725 562978185 /nfs/dbraw/zinc/97/81/85/562978185.db2.gz RZAZJXDVOFZLKI-UHFFFAOYSA-N 0 0 468.384 6.165 1 0 JKAFRN Cc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589716 562978198 /nfs/dbraw/zinc/97/81/98/562978198.db2.gz VMCWSNPVMPDJKY-UHFFFAOYSA-N 0 0 474.369 5.449 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600965 562978234 /nfs/dbraw/zinc/97/82/34/562978234.db2.gz UUFVXGWFKPXCOY-MUUNZHRXSA-N 0 0 485.734 7.320 1 0 JKAFRN CCCCN(C)C(=O)CCS[C@H](Cc1ccc(OCc2ccccc2)cc1)c1ccc(OC)cc1 ZINC000013600977 562978246 /nfs/dbraw/zinc/97/82/46/562978246.db2.gz SQZXHJQGRFNSPD-GDLZYMKVSA-N 0 0 491.697 6.940 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601034 562978286 /nfs/dbraw/zinc/97/82/86/562978286.db2.gz FOQWMBMXFCBRBN-GDLZYMKVSA-N 0 0 499.761 7.884 1 0 JKAFRN CN(C)c1ccc(NC(=O)c2cccnc2[S@@](=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013605243 562978666 /nfs/dbraw/zinc/97/86/66/562978666.db2.gz VTVRSJGNJSWHIU-MGBGTMOVSA-N 0 0 455.583 5.297 1 0 JKAFRN Cc1ccc(C(c2ccc(C)cc2)[S@](=O)c2ncccc2C(=O)Nc2cccc3ncccc32)cc1 ZINC000013605273 562978674 /nfs/dbraw/zinc/97/86/74/562978674.db2.gz ZMCYVXJXFFRRIL-PSXMRANNSA-N 0 0 491.616 6.396 1 0 JKAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1 ZINC000013608830 562979137 /nfs/dbraw/zinc/97/91/37/562979137.db2.gz JXBCWOBRVYSONW-OWOJBTEDSA-N 0 0 481.427 5.164 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(Cl)ccc4Cl)cc3)c2cc1OC ZINC000013610153 562979248 /nfs/dbraw/zinc/97/92/48/562979248.db2.gz HRTYWRWOZZLPDH-UHFFFAOYSA-N 0 0 484.339 6.995 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611372 562979339 /nfs/dbraw/zinc/97/93/39/562979339.db2.gz AUNHRXZPYDMERZ-XIFFEERXSA-N 0 0 488.631 7.447 1 0 JKAFRN CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610681 562979341 /nfs/dbraw/zinc/97/93/41/562979341.db2.gz QWSWLYLJCJQOIS-IBGZPJMESA-N 0 0 466.935 6.531 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611362 562979348 /nfs/dbraw/zinc/97/93/48/562979348.db2.gz UWCKSOOAWYHHJL-MHZLTWQESA-N 0 0 480.530 6.799 1 0 JKAFRN CC(=O)N1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611385 562979412 /nfs/dbraw/zinc/97/94/12/562979412.db2.gz IATHBRQJVABHAM-HHHXNRCGSA-N 0 0 462.615 5.470 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611380 562979460 /nfs/dbraw/zinc/97/94/60/562979460.db2.gz ZBPFLJAYZMFHIN-MGBGTMOVSA-N 0 0 488.631 7.447 1 0 JKAFRN CC(=O)N1c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611448 562979462 /nfs/dbraw/zinc/97/94/62/562979462.db2.gz GOZACAOMDPYIPZ-MGBGTMOVSA-N 0 0 475.632 7.774 1 0 JKAFRN O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000013611842 562979465 /nfs/dbraw/zinc/97/94/65/562979465.db2.gz COXVLBFQMLJUHG-UHFFFAOYSA-N 0 0 450.757 5.025 1 0 JKAFRN O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000013611845 562979535 /nfs/dbraw/zinc/97/95/35/562979535.db2.gz LBEDYTCPCKWPRN-UHFFFAOYSA-N 0 0 450.757 5.025 1 0 JKAFRN Cc1c(C(=O)N2CCC(O)CC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611889 562979592 /nfs/dbraw/zinc/97/95/92/562979592.db2.gz JHZQLCVGUFCRSM-UHFFFAOYSA-N 0 0 464.780 5.405 1 0 JKAFRN CC(=O)n1cc([C@H]2C=C(C(=O)Nc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013634917 562979925 /nfs/dbraw/zinc/97/99/25/562979925.db2.gz GBDNDLPRUVYQTN-MUAVYFROSA-N 0 0 496.563 5.363 3 0 JKAFRN O=C(Nc1ccccc1)C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634965 562979930 /nfs/dbraw/zinc/97/99/30/562979930.db2.gz WDHHLMKOKICXQQ-KDYSTLNUSA-N 0 0 471.578 5.963 3 0 JKAFRN O=C(Nc1ccccc1)C1=C[C@@H](c2csc3ccccc32)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634975 562979960 /nfs/dbraw/zinc/97/99/60/562979960.db2.gz WDHHLMKOKICXQQ-ZBLYBZFDSA-N 0 0 471.578 5.963 3 0 JKAFRN O=C(NCc1ccccc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013635011 562979965 /nfs/dbraw/zinc/97/99/65/562979965.db2.gz OZWQYWGPPMUKFI-JYFHCDHNSA-N 0 0 497.513 5.445 3 0 JKAFRN CCOC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(I)cc2)n1 ZINC000013642417 562980366 /nfs/dbraw/zinc/98/03/66/562980366.db2.gz XMPGJQRGABEVNV-UHFFFAOYSA-N 0 0 487.124 5.627 1 0 JKAFRN C[NH+](C)C1CCN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2C2=CCCCC2)CC1 ZINC000013646668 562980770 /nfs/dbraw/zinc/98/07/70/562980770.db2.gz SROPYZHRQRBMSP-UHFFFAOYSA-N 0 0 491.676 5.897 1 0 JKAFRN C[C@@H]1Cc2c(F)c(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@H]12 ZINC000013651617 562981701 /nfs/dbraw/zinc/98/17/01/562981701.db2.gz JFUXMQIYWCLHHZ-BPLCDORFSA-N 0 0 456.339 5.313 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)Nc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013659774 562982048 /nfs/dbraw/zinc/98/20/48/562982048.db2.gz SBIGFFYTVHHEOL-VWLOTQADSA-N 0 0 459.521 5.008 3 0 JKAFRN Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@@]32CC(c3ccccc3)=NO2)s1 ZINC000013660475 562982090 /nfs/dbraw/zinc/98/20/90/562982090.db2.gz VDKWJIMGOZAZOL-MHZLTWQESA-N 0 0 490.556 5.009 3 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013661873 562982482 /nfs/dbraw/zinc/98/24/82/562982482.db2.gz UAFSDYKACDJYMW-TTYMUKSTSA-N 0 0 466.625 6.340 3 0 JKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SCCO[C@H]2CCCCO2)c(CC)nc1-c1ccccc1 ZINC000013672375 562982687 /nfs/dbraw/zinc/98/26/87/562982687.db2.gz HXLNVSHAHOXVRR-QHCPKHFHSA-N 0 0 499.673 6.247 1 0 JKAFRN CCCc1c(C(=O)SCC)c(CCSC(C)=O)nc(-c2ccccc2)c1C(=O)OCC ZINC000013672219 562982696 /nfs/dbraw/zinc/98/26/96/562982696.db2.gz AGVUBFBBRYYSDN-UHFFFAOYSA-N 0 0 459.633 5.593 1 0 JKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SC[C@H]2COC(C)(C)O2)c(CC)nc1-c1ccccc1 ZINC000013672379 562982714 /nfs/dbraw/zinc/98/27/14/562982714.db2.gz SEHBJXVCUPJQQS-LJQANCHMSA-N 0 0 485.646 5.855 1 0 JKAFRN CCCCCC(=O)Nc1ccc2c(c1)[C@@H](c1ccccc1)[C@@H](O)[C@](CC)(CCCC)CS2(=O)=O ZINC000013672962 562982749 /nfs/dbraw/zinc/98/27/49/562982749.db2.gz UBMQTXNFMHUNTD-JCYYIGJDSA-N 0 0 485.690 6.072 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(C(C)(C)C)cc2)[C@H]1O ZINC000013673014 562982777 /nfs/dbraw/zinc/98/27/77/562982777.db2.gz OSAJGQIGIDGCDT-VSGBNLITSA-N 0 0 499.761 6.697 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Br)c4)cn3)[C@H]12 ZINC000013673174 562982833 /nfs/dbraw/zinc/98/28/33/562982833.db2.gz BRSVGVIWEHXIAL-HLBWOJLBSA-N 0 0 466.419 6.528 1 0 JKAFRN COC(=O)CCC/C=C(/c1cc2c(OC)noc2c(C)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000013673854 562982923 /nfs/dbraw/zinc/98/29/23/562982923.db2.gz UOYWGQHDLBBPMH-FXBPXSCXSA-N 0 0 451.416 6.078 1 0 JKAFRN Cc1ccc2c(c1)CCCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2 ZINC000013676081 562983334 /nfs/dbraw/zinc/98/33/34/562983334.db2.gz GXCMCTYESCNCKV-UHFFFAOYSA-N 0 0 469.416 5.774 1 0 JKAFRN Cc1c(=O)[nH]c(SCc2ccc(Br)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000013677547 562983652 /nfs/dbraw/zinc/98/36/52/562983652.db2.gz CHYMDTRFUIOXHX-UHFFFAOYSA-N 0 0 470.219 6.031 1 0 JKAFRN O=C(CCc1ccccc1)N(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C1CCCCC1 ZINC000013682526 562984192 /nfs/dbraw/zinc/98/41/92/562984192.db2.gz UVBRIVHIUGBGEN-UHFFFAOYSA-N 0 0 473.457 6.297 1 0 JKAFRN O=C(CCc1ccccc1)N(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682522 562984196 /nfs/dbraw/zinc/98/41/96/562984196.db2.gz NSUUXCAWMYCVCP-UHFFFAOYSA-N 0 0 481.436 6.165 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)c2cc1OC ZINC000013684365 562984302 /nfs/dbraw/zinc/98/43/02/562984302.db2.gz BRXZUOJFGVQTAB-UHFFFAOYSA-N 0 0 473.554 5.100 1 0 in-vitro JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC ZINC000013684357 562984354 /nfs/dbraw/zinc/98/43/54/562984354.db2.gz NVXYJRPMNZXXML-UHFFFAOYSA-N 0 0 450.535 6.563 1 0 JKAFRN CC(C)(C)C(=O)CN1c2ccccc2C(C2CCCCC2)=NN(CC(=O)Nc2cccc(N)c2)C1=O ZINC000013685070 562984362 /nfs/dbraw/zinc/98/43/62/562984362.db2.gz VGDOYYSGPWWLOC-UHFFFAOYSA-N 0 0 489.620 5.049 1 0 JKAFRN COc1cc2ncnc(Oc3ccc(NC(=O)NCCC4CCCCC4)cc3)c2cc1OC ZINC000013684341 562984366 /nfs/dbraw/zinc/98/43/66/562984366.db2.gz TXVYIABBXQJFTG-UHFFFAOYSA-N 0 0 450.539 5.531 1 0 JKAFRN Nc1nc(N)c(-c2ccc(NCc3csc(Cl)c3)cc2)c(COCc2ccccc2)n1 ZINC000013686009 562984407 /nfs/dbraw/zinc/98/44/07/562984407.db2.gz FQUNLLIRLOFAFL-UHFFFAOYSA-N 0 0 451.983 5.352 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOC(c2ccc(Cl)c(Cl)c2)c2ccc(Cl)c(Cl)c2)C1 ZINC000013729414 562985129 /nfs/dbraw/zinc/98/51/29/562985129.db2.gz SGRJKZOPMZTOGS-OAHLLOKOSA-N 0 0 477.215 6.203 1 0 JKAFRN CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(-c3ccccc3)c2)C1=O ZINC000013732906 562985471 /nfs/dbraw/zinc/98/54/71/562985471.db2.gz JMMHWFHIQXTVLS-HHHXNRCGSA-N 0 0 460.537 5.315 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C(F)(F)F)cc21 ZINC000013735226 562985749 /nfs/dbraw/zinc/98/57/49/562985749.db2.gz DICGWXUOYQBIMK-RUZDIDTESA-N 0 0 467.531 7.615 1 0 JKAFRN CCc1cccc(CC)c1NC(=O)[C@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735167 562985754 /nfs/dbraw/zinc/98/57/54/562985754.db2.gz VXSXFLVYOPASDD-QHCPKHFHSA-N 0 0 450.376 6.237 1 0 JKAFRN Cc1ccc2c(c1)[C@H](C(=O)Nc1c(Br)cccc1Br)c1ccccc1CO2 ZINC000013735117 562985797 /nfs/dbraw/zinc/98/57/97/562985797.db2.gz DESUQKQHSZBCCF-HXUWFJFHSA-N 0 0 487.191 6.183 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2cc(Br)ccc21 ZINC000013735217 562985803 /nfs/dbraw/zinc/98/58/03/562985803.db2.gz JGFLVVVWEDZDHX-VWLOTQADSA-N 0 0 478.430 7.359 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1c2ccccc2COc2ccc(C(F)(F)F)cc21 ZINC000013735228 562985805 /nfs/dbraw/zinc/98/58/05/562985805.db2.gz DICGWXUOYQBIMK-VWLOTQADSA-N 0 0 467.531 7.615 1 0 JKAFRN COC(=O)c1ccc2c(c1)[C@@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735251 562985823 /nfs/dbraw/zinc/98/58/23/562985823.db2.gz CCKPSQMDQXIBOG-SANMLTNESA-N 0 0 457.570 6.383 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2OCc2ccc(Br)cc21 ZINC000013735290 562985827 /nfs/dbraw/zinc/98/58/27/562985827.db2.gz AOBUQUZGNPFVLB-RUZDIDTESA-N 0 0 478.430 7.359 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2cccnc2COc2ccc(Br)cc21 ZINC000013735313 562985835 /nfs/dbraw/zinc/98/58/35/562985835.db2.gz CHNANAXGOHZKGB-XMMPIXPASA-N 0 0 479.418 6.754 1 0 JKAFRN Cc1cc(Br)c2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735284 562985843 /nfs/dbraw/zinc/98/58/43/562985843.db2.gz WBTNHOLCACGKRI-RUZDIDTESA-N 0 0 492.457 7.667 1 0 JKAFRN CC(C)=CCC[C@@H](C)CC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737156 562986017 /nfs/dbraw/zinc/98/60/17/562986017.db2.gz UDKPHCIJEBYGKN-UFHPHHKVSA-N 0 0 491.720 7.685 1 0 JKAFRN CC(C)c1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1 ZINC000013737645 562986228 /nfs/dbraw/zinc/98/62/28/562986228.db2.gz CMBTZKNNZJTRRF-UHFFFAOYSA-N 0 0 451.904 7.601 1 0 JKAFRN COc1ccc(N(C(=O)C(C)C)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000013740921 562986980 /nfs/dbraw/zinc/98/69/80/562986980.db2.gz RVWWYYYXZGBXRH-RJXFYEIWSA-N 0 0 480.693 5.916 1 0 JKAFRN COc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC ZINC000013741233 562987007 /nfs/dbraw/zinc/98/70/07/562987007.db2.gz RMGYOKIILRFJTF-AREMUKBSSA-N 0 0 451.566 5.936 1 0 JKAFRN COc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2cccc(OC)c2)cc1 ZINC000013741241 562987030 /nfs/dbraw/zinc/98/70/30/562987030.db2.gz SZYJQTINVNWIFZ-MUUNZHRXSA-N 0 0 451.566 5.936 1 0 JKAFRN CS(=O)(=O)Nc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741228 562987056 /nfs/dbraw/zinc/98/70/56/562987056.db2.gz IPHXLAOYTYAEFX-MHZLTWQESA-N 0 0 484.621 5.290 1 0 JKAFRN CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OCCCn2ccnc2)cc1C ZINC000013742192 562987167 /nfs/dbraw/zinc/98/71/67/562987167.db2.gz AXGZUQPHRXSGRF-UHFFFAOYSA-N 0 0 458.562 5.944 1 0 JKAFRN CCCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)Cc1ccccc1C=C2c1nn[nH]n1 ZINC000013742175 562987202 /nfs/dbraw/zinc/98/72/02/562987202.db2.gz YJRPZGMZTSLDDN-UHFFFAOYSA-N 0 0 461.573 5.055 1 0 JKAFRN CCCC(=O)c1cnc2c(OCCCNc3ccccn3)cccc2c1Nc1c(C)cccc1C ZINC000013742248 562987317 /nfs/dbraw/zinc/98/73/17/562987317.db2.gz RDINTACSVFHUDH-UHFFFAOYSA-N 0 0 468.601 6.854 1 0 JKAFRN Cc1c(C(=O)c2cccc3ccccc32)c2ccc(Br)cc2n1CCN1CCOCC1 ZINC000013742559 562987467 /nfs/dbraw/zinc/98/74/67/562987467.db2.gz BTGSGFURMQOFHM-UHFFFAOYSA-N 0 0 477.402 5.429 1 0 JKAFRN COc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc(Cl)cc1)C(=O)CCO2 ZINC000013742723 562987570 /nfs/dbraw/zinc/98/75/70/562987570.db2.gz PGFNVEKUUJDVHX-UHFFFAOYSA-N 0 0 473.997 6.308 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1C(F)(F)F ZINC000013742744 562987595 /nfs/dbraw/zinc/98/75/95/562987595.db2.gz GPGLGVIBAVITFL-QWBYCMEYSA-N 0 0 460.540 5.557 1 0 JKAFRN Cn1c(Br)c(Br)c(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 ZINC000013743579 562987733 /nfs/dbraw/zinc/98/77/33/562987733.db2.gz QFDFHJQXZHCYDD-UHFFFAOYSA-N 0 0 487.188 5.427 1 0 JKAFRN CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN(C(=O)C3CCCCC3)C(C)C)n2C)CC1 ZINC000013743836 562987743 /nfs/dbraw/zinc/98/77/43/562987743.db2.gz ZBHZVMMPAAMZQJ-UHFFFAOYSA-N 0 0 494.724 5.452 1 0 JKAFRN CC(C)(C)OC(=O)n1c(Br)cc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 ZINC000013743582 562987749 /nfs/dbraw/zinc/98/77/49/562987749.db2.gz YNQZTERAVHSLAF-UHFFFAOYSA-N 0 0 494.382 5.910 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(F)c(F)c1)c1ccccc1 ZINC000013744150 562987805 /nfs/dbraw/zinc/98/78/05/562987805.db2.gz AEZMPDNQDQJWHG-XDBZFTIUSA-N 0 0 491.538 5.551 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(Cl)c1)c1ccccc1 ZINC000013744149 562987821 /nfs/dbraw/zinc/98/78/21/562987821.db2.gz STAJLHIUAJDIGV-HMILPKGGSA-N 0 0 490.003 5.926 1 0 JKAFRN CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(-c3cccc(OC)c3)nc21 ZINC000013744665 562987970 /nfs/dbraw/zinc/98/79/70/562987970.db2.gz TYDVPCBPUZHUSX-UHFFFAOYSA-N 0 0 452.514 5.455 1 0 JKAFRN Cc1cc(C)c(NC(=O)C(C)(C)CCCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747641 562988445 /nfs/dbraw/zinc/98/84/45/562988445.db2.gz ILOQZZKQGSBSPD-UHFFFAOYSA-N 0 0 458.042 7.274 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1OC(=O)N(C)S(=O)(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013747515 562988460 /nfs/dbraw/zinc/98/84/60/562988460.db2.gz DHQHCPDQCAXOKT-UHFFFAOYSA-N 0 0 475.651 6.935 1 0 JKAFRN Cc1cc(C)c(NC(=O)C(C)(C)CCCCCCOc2ccc(Cl)cc2)c2c1CC(C)(C)O2 ZINC000013747650 562988461 /nfs/dbraw/zinc/98/84/61/562988461.db2.gz MHUPDCJBNGBZEU-UHFFFAOYSA-N 0 0 472.069 7.665 1 0 JKAFRN Clc1ccc([C@@H](c2ccccc2)N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 ZINC000013755940 562988546 /nfs/dbraw/zinc/98/85/46/562988546.db2.gz DFXLNCRNORESIF-XMMPIXPASA-N 0 0 459.018 6.114 1 0 JKAFRN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnco3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757042 562988832 /nfs/dbraw/zinc/98/88/32/562988832.db2.gz PUZPEGOFQQRVMW-FPOVZHCZSA-N 0 0 485.428 6.030 1 0 JKAFRN CCOC(=O)CN(C)[C@@H]1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 ZINC000013757989 562988873 /nfs/dbraw/zinc/98/88/73/562988873.db2.gz INIACONCMFFDIC-AREMUKBSSA-N 0 0 499.611 5.224 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1 ZINC000013759136 562989103 /nfs/dbraw/zinc/98/91/03/562989103.db2.gz SMVWUVFTMCPYDZ-UHFFFAOYSA-N 0 0 466.533 5.754 1 0 JKAFRN CC1(C)OC(=O)c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccccc3)c21 ZINC000013759149 562989141 /nfs/dbraw/zinc/98/91/41/562989141.db2.gz OLDMHDRHKNCVBJ-UHFFFAOYSA-N 0 0 494.587 6.489 1 0 JKAFRN COc1cccc(-c2c3c(cc4cc(OCc5cccc(C6(O)CCOCC6)c5)ccc42)C(=O)OC3)c1 ZINC000013759200 562989150 /nfs/dbraw/zinc/98/91/50/562989150.db2.gz HYKRYKBJYXBVPQ-UHFFFAOYSA-N 0 0 496.559 5.763 1 0 JKAFRN Cn1nnc(-c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccccc3)c2)n1 ZINC000013759161 562989155 /nfs/dbraw/zinc/98/91/55/562989155.db2.gz KPTDWDBVGMZQMP-UHFFFAOYSA-N 0 0 492.579 5.274 1 0 JKAFRN COc1ccccc1N1CCN(CCCC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 ZINC000013761789 562990165 /nfs/dbraw/zinc/99/01/65/562990165.db2.gz LNGUSSHELAJOGC-UHFFFAOYSA-N 0 0 496.607 5.562 1 0 JKAFRN CN(C)c1c(Cl)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000013762158 562990320 /nfs/dbraw/zinc/99/03/20/562990320.db2.gz LXAQAMCLZSMHIK-UHFFFAOYSA-N 0 0 478.323 5.334 1 0 JKAFRN CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(-c4ccccc4)cc3)n(Cc3ccccc3)c2C1=O ZINC000013763711 562990469 /nfs/dbraw/zinc/99/04/69/562990469.db2.gz WITNHWMYHWWIIQ-FTJBHMTQSA-N 0 0 487.607 5.372 1 0 JKAFRN C[C@H]1CCCC[C@@H]1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776538 562990931 /nfs/dbraw/zinc/99/09/31/562990931.db2.gz KPCQGKBAMIZDQX-GSICYADPSA-N 0 0 491.676 5.715 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Br)cc1)Oc1ccc(Cl)cc1-3 ZINC000013777174 562991110 /nfs/dbraw/zinc/99/11/10/562991110.db2.gz NXOAZERTYTUOOS-DEOSSOPVSA-N 0 0 466.806 7.859 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccc(Br)cc1)Oc1ccc(Cl)cc1-3 ZINC000013777176 562991163 /nfs/dbraw/zinc/99/11/63/562991163.db2.gz NXOAZERTYTUOOS-XMMPIXPASA-N 0 0 466.806 7.859 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCC(C)C ZINC000013780877 562991920 /nfs/dbraw/zinc/99/19/20/562991920.db2.gz KRZDQCFUWCIWSL-QSEAXJEQSA-N 0 0 488.669 5.139 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC=C(C)C ZINC000013780887 562991988 /nfs/dbraw/zinc/99/19/88/562991988.db2.gz UIVOXNYELUNDQO-QSEAXJEQSA-N 0 0 486.653 5.059 1 0 JKAFRN CCCCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC ZINC000013782755 562992671 /nfs/dbraw/zinc/99/26/71/562992671.db2.gz ANJWTKYUAUOKRB-DQEYMECFSA-N 0 0 480.649 5.072 1 0 JKAFRN C[C@@]12C=C(/C=C/c3ccc(C(F)(F)F)cc3)[C@@](C)(C1)[C@@H](c1ccc(C(F)(F)F)cc1)CC2=O ZINC000013783081 562992766 /nfs/dbraw/zinc/99/27/66/562992766.db2.gz OWGLRYVCMZATSE-YWXDOONASA-N 0 0 464.449 7.837 1 0 JKAFRN COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@@H](C)[C@@H](OC)C1CCCCC1 ZINC000013783012 562992794 /nfs/dbraw/zinc/99/27/94/562992794.db2.gz WLQAURNMRHIGBI-VTLFMANISA-N 0 0 481.471 6.321 1 0 JKAFRN COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@H](C)[C@H](OC)C1CCCCC1 ZINC000013783010 562992797 /nfs/dbraw/zinc/99/27/97/562992797.db2.gz WLQAURNMRHIGBI-IIFIQDQESA-N 0 0 481.471 6.321 1 0 JKAFRN C[C@@]12C=C(/C=C/c3ccc(Br)cc3)[C@@](C)(C1)[C@@H](c1ccc(Br)cc1)CC2=O ZINC000013783096 562992805 /nfs/dbraw/zinc/99/28/05/562992805.db2.gz GDQGTPVZVADRGG-GPIPTUJCSA-N 0 0 486.247 7.324 1 0 JKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@@H]3c3ccoc3)[C@]12C ZINC000013783609 562992862 /nfs/dbraw/zinc/99/28/62/562992862.db2.gz QDBAUJQKYJXHPB-LGNBNWETSA-N 0 0 468.590 5.574 1 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CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CCC[C@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798965 562993653 /nfs/dbraw/zinc/99/36/53/562993653.db2.gz LTXXUPQYHDNCDW-VWLOTQADSA-N 0 0 499.615 5.276 1 0 JKAFRN Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCN(Cc1ccc(Cl)c(Cl)c1)C2 ZINC000013800371 562994027 /nfs/dbraw/zinc/99/40/27/562994027.db2.gz BVVKCMFWNRJMQC-UHFFFAOYSA-N 0 0 451.806 6.080 1 0 JKAFRN CSCC[C@H](NC(=O)c1ccc(C[NH2+]CCC2CCCCC2)cc1-c1ccccc1C)C(=O)[O-] ZINC000013802301 562994267 /nfs/dbraw/zinc/99/42/67/562994267.db2.gz AITRSUMFMXLCFQ-SANMLTNESA-N 0 0 482.690 5.658 1 0 JKAFRN O=C(c1cccc2ccccc21)N1CCN(Cc2cncn2Cc2ccccc2)c2ccccc2C1 ZINC000013803039 562994633 /nfs/dbraw/zinc/99/46/33/562994633.db2.gz VAAZAFPELPRBBL-UHFFFAOYSA-N 0 0 472.592 5.747 1 0 JKAFRN O=S(=O)(c1cccc2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccc(-c3ccccc3)cc2C1 ZINC000013803090 562994660 /nfs/dbraw/zinc/99/46/60/562994660.db2.gz NKVDSSYZHNHJPX-UHFFFAOYSA-N 0 0 494.620 5.441 1 0 JKAFRN COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(Br)cc(-c3cccnc3)c1)CC2 ZINC000013806163 562995203 /nfs/dbraw/zinc/99/52/03/562995203.db2.gz FNWNLUXEHHLLML-UHFFFAOYSA-N 0 0 492.295 6.133 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)NCc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809389 562995660 /nfs/dbraw/zinc/99/56/60/562995660.db2.gz LQIPAGPQDNZDDN-UHFFFAOYSA-N 0 0 460.961 5.468 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)N[C@H](C)c1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000013809391 562995694 /nfs/dbraw/zinc/99/56/94/562995694.db2.gz HKDJNKXXYQLAPT-GOSISDBHSA-N 0 0 474.988 6.029 1 0 JKAFRN CCOc1cccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc32)c1 ZINC000013809401 562995702 /nfs/dbraw/zinc/99/57/02/562995702.db2.gz ARIGBKUEKSXFAD-UHFFFAOYSA-N 0 0 476.960 5.880 1 0 JKAFRN CC(=O)N1Cc2cc(Br)ccc2N(Cc2c[nH]cn2)C[C@@H]1Cc1cccc2ccccc21 ZINC000013813391 562996013 /nfs/dbraw/zinc/99/60/13/562996013.db2.gz GNEPJAOLPFUJSS-DEOSSOPVSA-N 0 0 489.417 5.305 1 0 JKAFRN O=C(c1cccc2ccccc21)N1Cc2ccccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813354 562996029 /nfs/dbraw/zinc/99/60/29/562996029.db2.gz MBJJHLJOSUDQLT-HHHXNRCGSA-N 0 0 472.592 5.837 1 0 JKAFRN COc1cc(-c2cccc([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc(OC)c1OC ZINC000013813480 562996037 /nfs/dbraw/zinc/99/60/37/562996037.db2.gz JWYCSTHBYZIPON-BFYHCKCDSA-N 0 0 483.608 6.291 3 0 JKAFRN CCOC(=O)c1ccc(-c2ccc(-c3cc(=O)oc4cc(OC)c(OC)c(OC)c43)cc2)cc1 ZINC000013813905 562996156 /nfs/dbraw/zinc/99/61/56/562996156.db2.gz DQQSZZODGXMMAI-UHFFFAOYSA-N 0 0 460.482 5.330 3 0 JKAFRN COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)C2CC2)CC3)c(C)c1 ZINC000013817648 562996848 /nfs/dbraw/zinc/99/68/48/562996848.db2.gz MFSDFGCCGGMDMY-HHHXNRCGSA-N 0 0 454.570 5.174 1 0 JKAFRN CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCc2ccccc2)c1C ZINC000013820782 562997623 /nfs/dbraw/zinc/99/76/23/562997623.db2.gz UMNPNRWGHUHFDS-YTTGMZPUSA-N 0 0 465.600 5.344 1 0 JKAFRN CCOc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 ZINC000013821548 562997669 /nfs/dbraw/zinc/99/76/69/562997669.db2.gz IBPJFYLTYWIYEL-UHFFFAOYSA-N 0 0 488.385 5.813 1 0 JKAFRN CCc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 ZINC000013821552 562997701 /nfs/dbraw/zinc/99/77/01/562997701.db2.gz BPVZKGLPKFZJAZ-UHFFFAOYSA-N 0 0 472.386 5.977 1 0 JKAFRN CCCCc1nc(Cl)c([C@H](O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013823709 562998124 /nfs/dbraw/zinc/99/81/24/562998124.db2.gz JKKAPDULUACEAE-AREMUKBSSA-N 0 0 499.018 5.856 1 0 JKAFRN COc1cc(C(C)=O)ccc1OCCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013824936 562998212 /nfs/dbraw/zinc/99/82/12/562998212.db2.gz FIMXBJKPXSYVFH-UHFFFAOYSA-N 0 0 491.578 6.543 1 0 JKAFRN CCCCc1nnc(OCCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825674 562998397 /nfs/dbraw/zinc/99/83/97/562998397.db2.gz RHEGURHYKNRWGP-UHFFFAOYSA-N 0 0 479.588 5.138 1 0 JKAFRN CCCCc1nn2cc(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825695 562998412 /nfs/dbraw/zinc/99/84/12/562998412.db2.gz MDSODQNVOKNRNH-UHFFFAOYSA-N 0 0 474.572 5.436 1 0 JKAFRN CCCCCNC(=O)Nc1c(Cl)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827659 562998686 /nfs/dbraw/zinc/99/86/86/562998686.db2.gz BQLVPLYOZSZSIY-UHFFFAOYSA-N 0 0 455.002 6.293 1 0 JKAFRN CCCCCNC(=O)Nc1cccc(OCCCn2cnc(-c3ccccc3)c2C)c1N(C)C ZINC000013827621 562998691 /nfs/dbraw/zinc/99/86/91/562998691.db2.gz LRVUGZAEMOZNTD-UHFFFAOYSA-N 0 0 463.626 5.705 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccccc3)c2C)cccc1SC ZINC000013827650 562998698 /nfs/dbraw/zinc/99/86/98/562998698.db2.gz LUHUSNWDFNOBFO-UHFFFAOYSA-N 0 0 466.651 6.361 1 0 JKAFRN C/C=C1\CO[C@@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828952 562999017 /nfs/dbraw/zinc/99/90/17/562999017.db2.gz KVCWZYOHMMYGLO-KSSKOCNRSA-N 0 0 465.512 5.415 3 0 JKAFRN C/C=C1\CO[C@](C(=O)NCc2cccc(OC)c2OC)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828954 562999019 /nfs/dbraw/zinc/99/90/19/562999019.db2.gz KVCWZYOHMMYGLO-AQHNKCFISA-N 0 0 465.512 5.415 3 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1cccc(C)c1 ZINC000013829606 562999116 /nfs/dbraw/zinc/99/91/16/562999116.db2.gz WOIOZRMWKMMRJA-LJAQVGFWSA-N 0 0 464.565 6.349 1 0 JKAFRN COc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013829634 562999128 /nfs/dbraw/zinc/99/91/28/562999128.db2.gz ACPGAUHUFRDWFL-UHFFFAOYSA-N 0 0 477.564 6.298 1 0 JKAFRN CN(C)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830677 562999231 /nfs/dbraw/zinc/99/92/31/562999231.db2.gz RNSVQPULNZUMAP-CVXIRMMQSA-N 0 0 454.589 6.615 1 0 JKAFRN Cc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000013830540 562999232 /nfs/dbraw/zinc/99/92/32/562999232.db2.gz RQHUEKRKLCEMRZ-KCTCJIHVSA-N 0 0 457.617 7.871 1 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830413 562999244 /nfs/dbraw/zinc/99/92/44/562999244.db2.gz UAFSDYKACDJYMW-VPMCBBNJSA-N 0 0 466.625 6.340 1 0 JKAFRN CC(=O)c1ccc(-c2c3ccccc3ccc2[C@@H]2[C@H]3C=CCC[C@@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000013830585 562999251 /nfs/dbraw/zinc/99/92/51/562999251.db2.gz QZTHUKVAPFLFPS-LIAFXSCVSA-N 0 0 485.627 7.765 1 0 JKAFRN CN(C)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830679 562999276 /nfs/dbraw/zinc/99/92/76/562999276.db2.gz RNSVQPULNZUMAP-YQKLYGQBSA-N 0 0 454.589 6.615 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1C ZINC000013830460 562999280 /nfs/dbraw/zinc/99/92/80/562999280.db2.gz MRBLBQQLABEGTE-ROCQRFLESA-N 0 0 467.609 6.591 1 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000013830859 562999302 /nfs/dbraw/zinc/99/93/02/562999302.db2.gz MFBLBMJTQWVGJV-KFROVOJPSA-N 0 0 465.593 6.477 1 0 JKAFRN COc1ccc(CN(Cc2ccccc2)C(=O)c2ccco2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831053 562999308 /nfs/dbraw/zinc/99/93/08/562999308.db2.gz NHIISFQCEOGYIT-UHFFFAOYSA-N 0 0 484.552 5.668 1 0 JKAFRN COc1ccc(CN(Cc2ccccc2)C(=O)c2ccncc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831058 562999322 /nfs/dbraw/zinc/99/93/22/562999322.db2.gz LTUCJMPJRNNPKW-UHFFFAOYSA-N 0 0 495.579 5.470 1 0 JKAFRN O=[P@]1(Oc2ccccc2)CC=C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 ZINC000013830895 562999352 /nfs/dbraw/zinc/99/93/52/562999352.db2.gz JRAZLCWDEOMTCY-UYHPJTEGSA-N 0 0 482.516 7.222 1 0 JKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830739 562999360 /nfs/dbraw/zinc/99/93/60/562999360.db2.gz DZVSWFIBJVZBBT-PDVBFRJSSA-N 0 0 471.572 6.566 1 0 JKAFRN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831419 562999377 /nfs/dbraw/zinc/99/93/77/562999377.db2.gz OHBHSWVADAOANS-UHFFFAOYSA-N 0 0 494.591 6.075 1 0 JKAFRN COc1ccc(CN(Cc2ccccc2)C(=O)c2ccno2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831059 562999423 /nfs/dbraw/zinc/99/94/23/562999423.db2.gz XJVOSSNGFLAPEG-UHFFFAOYSA-N 0 0 485.540 5.063 1 0 JKAFRN COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2ccc(F)cc2)c1-c1ccccc1 ZINC000013833976 563000737 /nfs/dbraw/zinc/00/07/37/563000737.db2.gz AJOXEQVJSPASSZ-OKRGKCMKSA-N 0 0 451.538 5.230 1 0 JKAFRN COc1c(C=O)c(C)c(Cl)c(OC(C)=O)c1C/C=C(\C)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835908 563001528 /nfs/dbraw/zinc/00/15/28/563001528.db2.gz JVRQWTZGFWVWRZ-IRSVOCDZSA-N 0 0 476.997 5.747 1 0 JKAFRN Nc1nc2[nH]c(Cc3ccc(Cl)cc3Cl)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859510 563001670 /nfs/dbraw/zinc/00/16/70/563001670.db2.gz KKIBGZAKMLYCDQ-UHFFFAOYSA-N 0 0 463.166 5.944 1 0 JKAFRN O=C([O-])Cc1ccc2c(c1)[C@@H](SCC[NH+]1CCC(Cc3ccccc3)CC1)c1ccccc1CO2 ZINC000013861358 563002485 /nfs/dbraw/zinc/00/24/85/563002485.db2.gz FBISNVSDOYEYSC-PMERELPUSA-N 0 0 487.665 5.983 1 0 JKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH2+]CCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013862242 563002765 /nfs/dbraw/zinc/00/27/65/563002765.db2.gz SFRMRUMSOVAGEZ-VOSGSMOWSA-N 0 0 473.786 7.931 1 0 JKAFRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH2+]CCCC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000013862241 563002794 /nfs/dbraw/zinc/00/27/94/563002794.db2.gz SFRMRUMSOVAGEZ-SKLSRHMJSA-N 0 0 473.786 7.931 1 0 JKAFRN CCn1ccc2cccc(Sc3ccc(/C=C/C(=O)N4CCN(C(C)=O)CC4)cc3Cl)c21 ZINC000013862554 563002926 /nfs/dbraw/zinc/00/29/26/563002926.db2.gz IBJIONZZKQZZDE-CSKARUKUSA-N 0 0 468.022 5.170 1 0 JKAFRN COc1cccc2c1-c1ccc3c(c1[C@@H](c1cc(C)cc(Br)c1)O2)C(C)=CC(C)(C)N3 ZINC000013863762 563003551 /nfs/dbraw/zinc/00/35/51/563003551.db2.gz JLRMPPDXUOKHKL-AREMUKBSSA-N 0 0 476.414 7.522 1 0 JKAFRN COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cc(C)cc(OCCc2cccc(O)c2)c1 ZINC000013864351 563003881 /nfs/dbraw/zinc/00/38/81/563003881.db2.gz UCGWHXBLOPGDOD-UHFFFAOYSA-N 0 0 483.369 5.405 1 0 JKAFRN COc1ccc(CN2CCN(C(=O)CCn3cc(C)c4ccccc43)CC2)cc1OCc1ccccc1 ZINC000013864336 563003973 /nfs/dbraw/zinc/00/39/73/563003973.db2.gz RXWYCJKVGBGHNC-UHFFFAOYSA-N 0 0 497.639 5.272 1 0 JKAFRN O=C1NC(=O)[C@@H](Cc2ccc3c(c2)CC[C@H](Cc2ccc(OCc4ccccc4)cc2)O3)S1 ZINC000013885637 563004191 /nfs/dbraw/zinc/00/41/91/563004191.db2.gz MMRAKHZTDKTXGB-ILBGXUMGSA-N 0 0 459.567 5.096 1 0 JKAFRN O=C1NC(=O)[C@H](Cc2ccc3c(c2)CC[C@@H](Cc2ccc(OCc4ccccc4)cc2)O3)S1 ZINC000013885638 563004219 /nfs/dbraw/zinc/00/42/19/563004219.db2.gz MMRAKHZTDKTXGB-ZCYQVOJMSA-N 0 0 459.567 5.096 1 0 JKAFRN COC(=O)[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)Sc1ccccc1 ZINC000013904056 563004361 /nfs/dbraw/zinc/00/43/61/563004361.db2.gz IQUIGVLNSPHGJF-DEOSSOPVSA-N 0 0 462.571 5.219 1 0 JKAFRN CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 ZINC000013910920 563004518 /nfs/dbraw/zinc/00/45/18/563004518.db2.gz IWWVCDYBRWQDMG-MHZLTWQESA-N 0 0 491.672 5.940 1 0 JKAFRN CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1Cl ZINC000013972526 563004839 /nfs/dbraw/zinc/00/48/39/563004839.db2.gz SOYSPEAIZRNEAT-IBGZPJMESA-N 0 0 456.995 5.594 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3csc4c3c(N)ncc4-c3ccncc3)cc2)c1 ZINC000013979399 563005155 /nfs/dbraw/zinc/00/51/55/563005155.db2.gz ZOJHQITYHCHCCD-UHFFFAOYSA-N 0 0 451.555 6.560 1 0 JKAFRN COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)cc1OC ZINC000014023740 563005474 /nfs/dbraw/zinc/00/54/74/563005474.db2.gz RVTNNRIMDKEUHN-UHFFFAOYSA-N 0 0 459.571 5.879 1 0 JKAFRN C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)[C@@](C)(O)CO)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000014438406 563005861 /nfs/dbraw/zinc/00/58/61/563005861.db2.gz WRTOUBQZZGFLLV-YJHFBYOXSA-N 0 0 494.757 5.909 1 0 JKAFRN Cc1cc(O)c2c(c1)[C@@H]([C@H]1c3cccc(O)c3C(=O)c3c(O)cc(C)cc31)c1cccc(O)c1C2=O ZINC000014855332 563006463 /nfs/dbraw/zinc/00/64/63/563006463.db2.gz IXXWTERKUADIKZ-ZEQRLZLVSA-N 0 0 478.500 5.179 1 0 biogenic,in-vitro JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)c4cccnc4)c4c3CNC4=O)cc2)c1 ZINC000014945242 563006575 /nfs/dbraw/zinc/00/65/75/563006575.db2.gz WJRNKVIXFNDUOA-UHFFFAOYSA-N 0 0 477.524 5.197 1 0 JKAFRN FC(F)(F)c1cccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)c1 ZINC000014945973 563006775 /nfs/dbraw/zinc/00/67/75/563006775.db2.gz OIPORLPSIAFDJE-UHFFFAOYSA-N 0 0 490.445 5.387 1 0 JKAFRN CSc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962912 563008554 /nfs/dbraw/zinc/00/85/54/563008554.db2.gz IUZOUTVXISMGDV-UHFFFAOYSA-N 0 0 451.766 6.187 1 0 JKAFRN CC(C)Nc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962932 563008560 /nfs/dbraw/zinc/00/85/60/563008560.db2.gz PTSRDBDPYALAAJ-UHFFFAOYSA-N 0 0 462.768 6.285 1 0 JKAFRN CC(C)(C)CNc1nc(-c2ccccc2Cl)c2c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000014962936 563008570 /nfs/dbraw/zinc/00/85/70/563008570.db2.gz GQSHMOXUVVFBPL-UHFFFAOYSA-N 0 0 490.822 6.923 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ccc2[nH]1 ZINC000014965492 563009099 /nfs/dbraw/zinc/00/90/99/563009099.db2.gz XOMNBLZPGBTSHU-UHFFFAOYSA-N 0 0 451.870 5.831 1 0 JKAFRN COc1c(O)ccc2c1-c1ccc3c(c1C(=Cc1sccc1C(C)=O)O2)C(C)=CC(C)(C)N3 ZINC000014968570 563009465 /nfs/dbraw/zinc/00/94/65/563009465.db2.gz VMJXNOKTPKNUJR-MTJSOVHGSA-N 0 0 459.567 6.830 1 0 JKAFRN COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3O)cc2)cc1OC ZINC000014970811 563009602 /nfs/dbraw/zinc/00/96/02/563009602.db2.gz QMNQZAGWTHTDTF-UHFFFAOYSA-N 0 0 460.555 6.002 1 0 JKAFRN COc1ccc(NCc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)cc2)cc1OC ZINC000014970787 563009637 /nfs/dbraw/zinc/00/96/37/563009637.db2.gz CJAZHUOEOHACOU-UHFFFAOYSA-N 0 0 453.542 5.817 1 0 JKAFRN COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 ZINC000014971603 563009817 /nfs/dbraw/zinc/00/98/17/563009817.db2.gz DFTLRXFDPWDIBX-SBUREZEXSA-N 0 0 485.028 5.858 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccccc2F)c1OC ZINC000014972961 563009919 /nfs/dbraw/zinc/00/99/19/563009919.db2.gz SSHNBLVLMIFHDU-QHCPKHFHSA-N 0 0 456.926 5.746 1 0 JKAFRN COc1cc(F)ccc1[C@H]1SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972847 563009933 /nfs/dbraw/zinc/00/99/33/563009933.db2.gz SANUVDQUZBJEFO-JOCHJYFZSA-N 0 0 464.415 5.640 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)ccc(F)c2F)c1OC ZINC000014972973 563009949 /nfs/dbraw/zinc/00/99/49/563009949.db2.gz GWQVYTYBBVOPAI-HSZRJFAPSA-N 0 0 476.451 5.510 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)ccc2C)c1OC ZINC000014972899 563009974 /nfs/dbraw/zinc/00/99/74/563009974.db2.gz VKBIQBUYQXDRMY-DEOSSOPVSA-N 0 0 454.498 5.540 1 0 JKAFRN CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c1ncnc2N)OCC ZINC000014974502 563010192 /nfs/dbraw/zinc/01/01/92/563010192.db2.gz KYKVIKAAJZSJSE-UHFFFAOYSA-N 0 0 498.958 5.089 1 0 JKAFRN Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000014975692 563010218 /nfs/dbraw/zinc/01/02/18/563010218.db2.gz FJOMFDMZEGTXGE-UHFFFAOYSA-N 0 0 494.209 6.515 1 0 JKAFRN Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OC(F)(F)F)c4onc(N)c43)cc2)c1 ZINC000014975432 563010280 /nfs/dbraw/zinc/01/02/80/563010280.db2.gz SKANDNUVNSHDDS-UHFFFAOYSA-N 0 0 460.387 6.067 1 0 JKAFRN O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@](O)(C2CCCCC2)C(F)(F)F)cc1 ZINC000014976872 563010422 /nfs/dbraw/zinc/01/04/22/563010422.db2.gz GPCPQPXWVJMHEX-NRFANRHFSA-N 0 0 495.485 5.774 1 0 JKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000014978175 563010820 /nfs/dbraw/zinc/01/08/20/563010820.db2.gz FAZSWVVIXMDBTB-UHFFFAOYSA-N 0 0 491.632 6.137 1 0 JKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)ccc1O ZINC000015118353 563011182 /nfs/dbraw/zinc/01/11/82/563011182.db2.gz PEALLWJXGZSLMC-MUUNZHRXSA-N 0 0 460.614 7.330 1 0 JKAFRN O=C([C@@H]1CC(=O)c2ccccc21)N1CCC(c2nc(-c3cccnc3)ncc2-c2ccccc2)CC1 ZINC000015002234 563011195 /nfs/dbraw/zinc/01/11/95/563011195.db2.gz WAHWCMHIBNLBOW-RUZDIDTESA-N 0 0 474.564 5.282 1 0 JKAFRN COc1cc2c(cc1[C@@](C)(O)C[C@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151283 563011327 /nfs/dbraw/zinc/01/13/27/563011327.db2.gz MFNSSDHBXSOHSG-QZXCRCNTSA-N 0 0 450.531 5.935 1 0 JKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)Oc1c(cc(O)c3c1C=CC(C)(C)O3)O2 ZINC000015252147 563011507 /nfs/dbraw/zinc/01/15/07/563011507.db2.gz OJUCEDRVOIIDBB-UHFFFAOYSA-N 0 0 478.541 6.330 1 0 JKAFRN O=C(N[C@@H]1CCC(=O)N(CC[C@H](Oc2ccccc2)c2ccccc2)CC1)OCc1ccccc1 ZINC000015933994 563011853 /nfs/dbraw/zinc/01/18/53/563011853.db2.gz DJCDCSGFXLFAIM-VPUSJEBWSA-N 0 0 472.585 5.504 3 0 JKAFRN CCCn1c2cc(N3CCCCC3)c(Cl)cc2nc1[C@H](C)Nc1nc(-c2ccc(C)cc2)cs1 ZINC000015935267 563011923 /nfs/dbraw/zinc/01/19/23/563011923.db2.gz FVGGFMVKYQRODO-IBGZPJMESA-N 0 0 494.108 7.695 3 0 JKAFRN Cc1csc(N2CCC[C@H]2c2nc3cc(C(F)(F)F)ccc3n2Cc2ccc(C)cc2)n1 ZINC000015935163 563011950 /nfs/dbraw/zinc/01/19/50/563011950.db2.gz MACMMCDYLITBHI-NRFANRHFSA-N 0 0 456.537 6.518 3 0 JKAFRN CCCNC(=O)c1ccc(N2CCC3(CC(c4ccccc4)=NO3)CC2)c(NC(=O)c2ccccc2)c1 ZINC000015937318 563012283 /nfs/dbraw/zinc/01/22/83/563012283.db2.gz XENZZFJCBJIBJF-UHFFFAOYSA-N 0 0 496.611 5.242 3 0 JKAFRN CCCn1c2ccccc2nc1[C@@H](CO)Nc1nc(-c2cccc(Br)c2)cs1 ZINC000015937209 563012312 /nfs/dbraw/zinc/01/23/12/563012312.db2.gz OPLHGVIROYJWBI-QGZVFWFLSA-N 0 0 457.397 5.478 3 0 JKAFRN Cc1nc(NC(=O)c2ccccc2)sc1[C@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 ZINC000015952276 563012653 /nfs/dbraw/zinc/01/26/53/563012653.db2.gz FZUSVKIRBWLKRO-NRFANRHFSA-N 0 0 461.465 5.642 3 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(Cl)cc3)c2cc1OC ZINC000016052728 563012942 /nfs/dbraw/zinc/01/29/42/563012942.db2.gz RNHWXYKRVZUXGO-UHFFFAOYSA-N 0 0 491.931 6.129 1 0 in-vitro JKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2CSCc2ccco2)c1 ZINC000016051815 563012953 /nfs/dbraw/zinc/01/29/53/563012953.db2.gz YZLKVEDFWLGNQP-UHFFFAOYSA-N 0 0 481.355 5.723 1 0 in-vivo JKAFRN CCCCc1ccc(C(=O)N(CCC(=O)N2CCC(Cc3ccccc3)CC2)Cc2ccco2)cc1 ZINC000016427426 563013050 /nfs/dbraw/zinc/01/30/50/563013050.db2.gz UTEFMCKWVMZXBI-UHFFFAOYSA-N 0 0 486.656 6.136 1 0 JKAFRN CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@@]2(c3ccccc3)C(=O)[C@@H](C)CN12 ZINC000017198256 563013731 /nfs/dbraw/zinc/01/37/31/563013731.db2.gz FAKMIAZIJZGHPT-WOPWWUTRSA-N 0 0 467.612 7.459 1 0 JKAFRN COc1ccc2c(c1)Oc1cc(O)ccc1[C@H]2c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000017213850 563013807 /nfs/dbraw/zinc/01/38/07/563013807.db2.gz WAWHGWCVKDJIIY-XDBZFTIUSA-N 0 0 451.522 6.178 1 0 JKAFRN C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)N1c2ccccc2Sc2ccccc21 ZINC000017222383 563013957 /nfs/dbraw/zinc/01/39/57/563013957.db2.gz OXRCZZCPWHRXDJ-SFHVURJKSA-N 0 0 452.604 7.507 1 0 JKAFRN CCCCCCNC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018037107 563014373 /nfs/dbraw/zinc/01/43/73/563014373.db2.gz FWZHVKOLVLNCFF-VWLOTQADSA-N 0 0 467.585 5.066 3 0 JKAFRN COc1ccc([C@H]2C=CCN(C(=O)OCc3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018056270 563014468 /nfs/dbraw/zinc/01/44/68/563014468.db2.gz AHOMMEPHJNIADT-AREMUKBSSA-N 0 0 474.532 5.113 3 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)C3CCCCC3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018180386 563014551 /nfs/dbraw/zinc/01/45/51/563014551.db2.gz CVPSWYYOBYZPAO-FNZWTVRRSA-N 0 0 464.581 5.271 1 0 JKAFRN CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(=O)c3ccc(-c4ccccc4)cc3)c2=N)cc1 ZINC000020010988 563015491 /nfs/dbraw/zinc/01/54/91/563015491.db2.gz UFLDZLKEKWGTQH-UHFFFAOYSA-N 0 0 473.620 6.818 1 0 JKAFRN O=C1c2ccccc2CC[C@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022927626 563017835 /nfs/dbraw/zinc/01/78/35/563017835.db2.gz GCZFLVUNYTXZNH-VWLOTQADSA-N 0 0 490.594 5.134 1 0 JKAFRN O[C@@H](COc1cccc2ncccc21)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022934402 563018771 /nfs/dbraw/zinc/01/87/71/563018771.db2.gz WGNDBFMIYKCGFI-IRPSRAIASA-N 0 0 488.031 5.035 1 0 JKAFRN Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4[nH]3)CC2)c2ccc(F)cc2)cc1 ZINC000022938633 563019227 /nfs/dbraw/zinc/01/92/27/563019227.db2.gz DGCVIJKIYVPQOI-UHFFFAOYSA-N 0 0 461.556 5.370 1 0 JKAFRN C[C@H]1Cc2ccccc2N1C(=O)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000022941408 563019838 /nfs/dbraw/zinc/01/98/38/563019838.db2.gz SUUFLJYOAPRJGV-RBTNQOKQSA-N 0 0 460.021 5.025 1 0 JKAFRN CC(=O)Nc1ccc(Cc2cn(C3CC3)c3c(F)c(-c4cc(C)nc(C)c4)c(F)cc3c2=O)cc1 ZINC000025976857 563020781 /nfs/dbraw/zinc/02/07/81/563020781.db2.gz LCNDKQULTJEYCA-UHFFFAOYSA-N 0 0 473.523 5.843 1 0 JKAFRN CCCCCc1cc(OCCCC(C)(C)C(=O)OC)cc(OCCCC(C)(C)C(=O)OC)c1 ZINC000025980259 563020836 /nfs/dbraw/zinc/02/08/36/563020836.db2.gz YQKNVHXXRBQBDV-UHFFFAOYSA-N 0 0 464.643 6.136 1 0 JKAFRN Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc5ccccc54)cn(C4CC4)c3c2F)cc(C)n1 ZINC000025977073 563020846 /nfs/dbraw/zinc/02/08/46/563020846.db2.gz MKSHYAUTSKBTCH-UHFFFAOYSA-N 0 0 466.531 7.037 1 0 JKAFRN CCOC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OCC)c(-c2ccccc2)c1 ZINC000025980284 563020871 /nfs/dbraw/zinc/02/08/71/563020871.db2.gz RFERPKWOUFUQHP-UHFFFAOYSA-N 0 0 498.660 6.850 1 0 JKAFRN CC(=O)OCC(C)(C)CCCOc1ccc(OCCCC(C)(C)COC(C)=O)c(-c2ccccc2)c1 ZINC000025983810 563021069 /nfs/dbraw/zinc/02/10/69/563021069.db2.gz QGQNHUVPULTRIP-UHFFFAOYSA-N 0 0 498.660 6.850 1 0 JKAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025994871 563021195 /nfs/dbraw/zinc/02/11/95/563021195.db2.gz RTHGVANMIQDPPO-AUSKNCSFSA-N 0 0 496.644 5.730 1 0 JKAFRN C[C@H](CCc1nccn1C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 ZINC000026002216 563021323 /nfs/dbraw/zinc/02/13/23/563021323.db2.gz ISBKHZNCKMNSDC-UHGVORHOSA-N 0 0 452.727 7.099 1 0 JKAFRN C[C@H](CCc1nccn1C)[C@@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000026002210 563021348 /nfs/dbraw/zinc/02/13/48/563021348.db2.gz ISBKHZNCKMNSDC-ONSLAWTRSA-N 0 0 452.727 7.099 1 0 JKAFRN CCN(c1ccc(SC)cc1Br)c1nc(C)cc(-c2ccccc2C(F)(F)F)n1 ZINC000026004497 563021408 /nfs/dbraw/zinc/02/14/08/563021408.db2.gz MRHWSPVXCVPEJL-UHFFFAOYSA-N 0 0 482.369 7.113 1 0 JKAFRN CCCCc1cn(-c2ccccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1 ZINC000026003187 563021415 /nfs/dbraw/zinc/02/14/15/563021415.db2.gz PQESOAAQHNRELT-UHFFFAOYSA-N 0 0 493.615 5.395 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2-c2nn[nH]n2)n1 ZINC000026005704 563021446 /nfs/dbraw/zinc/02/14/46/563021446.db2.gz BRILMGICEBUVBO-UHFFFAOYSA-N 0 0 478.398 5.676 1 0 JKAFRN CCOC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(Oc4ccccc4)ccc2[C@@H]1O3 ZINC000026152795 563022531 /nfs/dbraw/zinc/02/25/31/563022531.db2.gz QELYJMWPIJVOGA-MHZLTWQESA-N 0 0 454.526 5.895 1 0 JKAFRN C[C@@H]1c2ccccc2N(C)C(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026167294 563023098 /nfs/dbraw/zinc/02/30/98/563023098.db2.gz JPZJGETVYAMUNI-CYBMUJFWSA-N 0 0 473.417 5.316 1 0 JKAFRN CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2C[C@H]3CC[C@@H](C2)N3CC(=O)c2ccccc2)cc1 ZINC000026256553 563024594 /nfs/dbraw/zinc/02/45/94/563024594.db2.gz AEIDXTHWUACBSH-RNPORBBMSA-N 0 0 492.663 6.480 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)C1 ZINC000026262251 563024770 /nfs/dbraw/zinc/02/47/70/563024770.db2.gz DOIGDCYCEVVBBY-MRXNPFEDSA-N 0 0 466.525 5.121 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)sc2c1 ZINC000026266439 563024875 /nfs/dbraw/zinc/02/48/75/563024875.db2.gz NVXBXEICHMKNPN-ZWKOTPCHSA-N 0 0 461.974 6.253 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)sc2c1 ZINC000026266445 563024934 /nfs/dbraw/zinc/02/49/34/563024934.db2.gz NVXBXEICHMKNPN-ROUUACIJSA-N 0 0 461.974 6.253 1 0 JKAFRN CCCCOc1ccc(S(=O)(=O)N(Cc2c[nH]cn2)C(C2CCCCC2)C2CCCCC2)cc1 ZINC000026269144 563024981 /nfs/dbraw/zinc/02/49/81/563024981.db2.gz DEBLQKXKNVTXIJ-UHFFFAOYSA-N 0 0 487.710 6.309 1 0 JKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269591 563025026 /nfs/dbraw/zinc/02/50/26/563025026.db2.gz BLPXXGMZADJJHC-RTWAWAEBSA-N 0 0 484.681 5.201 1 0 JKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CN2CCOCC2)CC1 ZINC000026269598 563025127 /nfs/dbraw/zinc/02/51/27/563025127.db2.gz BLPXXGMZADJJHC-SFTDATJTSA-N 0 0 484.681 5.201 1 0 JKAFRN Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(Br)c1 ZINC000026289335 563025652 /nfs/dbraw/zinc/02/56/52/563025652.db2.gz SGZNRTIACHKVSZ-UHFFFAOYSA-N 0 0 459.409 5.336 1 0 JKAFRN COc1ccccc1-n1nc(-n2cnnn2)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000026294076 563025877 /nfs/dbraw/zinc/02/58/77/563025877.db2.gz WTPNTZOWQPAUOJ-UHFFFAOYSA-N 0 0 463.328 5.497 1 0 JKAFRN CCCC[C@@H](CC)C(=O)n1c2cc(C(=O)N3CCOCC3)oc2c2ccc(C(F)(F)F)cc21 ZINC000026384014 563026887 /nfs/dbraw/zinc/02/68/87/563026887.db2.gz XFFNMIJQFDKPBW-OAHLLOKOSA-N 0 0 464.484 5.735 1 0 JKAFRN COc1cc(Cn2c(-c3ccc(OCCCC(=O)[O-])cc3)cc3ccccc32)ccc1C[NH+]1CCCC1 ZINC000026399370 563027468 /nfs/dbraw/zinc/02/74/68/563027468.db2.gz YEDZOBBECGAKIP-UHFFFAOYSA-N 0 0 498.623 6.205 1 0 JKAFRN C[C@]12CCN(Cc3ccccc3)[C@H]1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc12 ZINC000026400707 563027541 /nfs/dbraw/zinc/02/75/41/563027541.db2.gz WWDUYDXEHWHZTJ-XDFJSJKPSA-N 0 0 489.619 6.807 1 0 JKAFRN COc1ccc2c(c1)sc(-c1cc(OC)c(OC)c(OC)c1)c2[C@@H](O)c1ccc(OC)c(O)c1 ZINC000026403654 563027737 /nfs/dbraw/zinc/02/77/37/563027737.db2.gz VBWXJYSVCUTWOQ-DEOSSOPVSA-N 0 0 482.554 5.399 1 0 JKAFRN CC(C)n1cnc2c1nc(N1CCCC[C@H]1CCO)nc2NCCC(c1ccccc1)c1ccccc1 ZINC000026470340 563027956 /nfs/dbraw/zinc/02/79/56/563027956.db2.gz OWCSNZLYBFTFQS-VWLOTQADSA-N 0 0 498.675 5.783 1 0 JKAFRN CC(C)NC(=O)OCc1c(-c2ccccc2)c(COC(=O)NC(C)C)n(C)c1-c1ccccc1 ZINC000026472449 563028045 /nfs/dbraw/zinc/02/80/45/563028045.db2.gz RAIBQGCZMMMOJK-UHFFFAOYSA-N 0 0 463.578 5.628 1 0 JKAFRN c1ccn(N(CCNc2ccccc2)c2cc3ncnc(Nc4ccc5[nH]ccc5c4)c3s2)c1 ZINC000026480532 563028195 /nfs/dbraw/zinc/02/81/95/563028195.db2.gz TUGBVZCJQUNZOM-UHFFFAOYSA-N 0 0 465.586 6.100 1 0 JKAFRN CC[C@@H](c1cccc(NC(=O)CC[NH2+][C@H]2C=Cc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000026479403 563028210 /nfs/dbraw/zinc/02/82/10/563028210.db2.gz MKNQDBOOQGZBRF-DHLKQENFSA-N 0 0 480.564 5.727 1 0 JKAFRN CC[C@H](c1cccc(NC(=O)CC[NH2+][C@@H]2C=Cc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000026479395 563028251 /nfs/dbraw/zinc/02/82/51/563028251.db2.gz MKNQDBOOQGZBRF-RCZVLFRGSA-N 0 0 480.564 5.727 1 0 JKAFRN CCc1cnc([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)s1 ZINC000026501444 563029204 /nfs/dbraw/zinc/02/92/04/563029204.db2.gz BMTYUQASEHNVDJ-VJTSUQJLSA-N 0 0 480.674 5.919 1 0 JKAFRN COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCn1ccnc1 ZINC000026568683 563029815 /nfs/dbraw/zinc/02/98/15/563029815.db2.gz QSFOYCZPHALXMC-JWQCQUIFSA-N 0 0 490.648 5.602 1 0 JKAFRN CCOC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc21 ZINC000026575160 563030298 /nfs/dbraw/zinc/03/02/98/563030298.db2.gz FWWYIMUZFVHATP-OAQYLSRUSA-N 0 0 458.533 6.500 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000026576045 563030483 /nfs/dbraw/zinc/03/04/83/563030483.db2.gz OLQLHMWQLXVQSK-UHFFFAOYSA-N 0 0 475.470 5.400 1 0 JKAFRN CCOCC=Cc1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000026576443 563030577 /nfs/dbraw/zinc/03/05/77/563030577.db2.gz GCPPZGPXELKSGN-AATRIKPKSA-N 0 0 455.577 7.420 1 0 JKAFRN CC(C)CCC1(C(=O)Nc2cc(Cl)c(Cl)cc2SC(=O)C(C)(C)C)CCCCC1 ZINC000026577029 563030679 /nfs/dbraw/zinc/03/06/79/563030679.db2.gz LSJSNHMUBPMISY-UHFFFAOYSA-N 0 0 458.495 7.983 1 0 JKAFRN CCN(CC)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000026577553 563030808 /nfs/dbraw/zinc/03/08/08/563030808.db2.gz URRNKDMELHWRBH-UHFFFAOYSA-N 0 0 470.322 6.276 1 0 JKAFRN Cc1cc(=O)oc2cc(SCc3n[nH]c4cccc(OCc5ccc(C(C)(C)C)cc5)c43)ccc12 ZINC000026638429 563031487 /nfs/dbraw/zinc/03/14/87/563031487.db2.gz HJHQJLIVZQPXPD-UHFFFAOYSA-N 0 0 484.621 7.147 1 0 JKAFRN C[C@@H]1CC[C@@H]([C@@H](O)c2ccc(Cl)c(Cl)c2)N1C(=O)Nc1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000026638848 563031510 /nfs/dbraw/zinc/03/15/10/563031510.db2.gz AKKRATICIYCKJJ-YDFBLROQSA-N 0 0 492.447 5.774 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N(C[C@H](O)c2cccc(Cl)c2Cl)C2CCC2)cc1 ZINC000026649354 563031943 /nfs/dbraw/zinc/03/19/43/563031943.db2.gz DAIONNVGZCMKCV-NRFANRHFSA-N 0 0 492.447 5.776 1 0 JKAFRN O=C([O-])CO[C@H](CCc1ccccc1)C[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000026651140 563032030 /nfs/dbraw/zinc/03/20/30/563032030.db2.gz WMHJGQUTOTYOOZ-XRKRLSELSA-N 0 0 493.047 5.150 1 0 JKAFRN O=C([O-])CO[C@H](CCc1ccccc1)C[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000026651130 563032039 /nfs/dbraw/zinc/03/20/39/563032039.db2.gz WMHJGQUTOTYOOZ-PXJZQJOASA-N 0 0 493.047 5.150 1 0 JKAFRN CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)Nc2ccccc2)CC1 ZINC000026672467 563033423 /nfs/dbraw/zinc/03/34/23/563033423.db2.gz PNMQIZPYVCFGFE-YADHBBJMSA-N 0 0 490.688 6.981 1 0 JKAFRN CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)Nc2ccccc2)CC1 ZINC000026672471 563033428 /nfs/dbraw/zinc/03/34/28/563033428.db2.gz PNMQIZPYVCFGFE-VXKWHMMOSA-N 0 0 490.688 6.981 1 0 JKAFRN CCCCCc1c(/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)sc2cc(OC)ccc21 ZINC000026718213 563033705 /nfs/dbraw/zinc/03/37/05/563033705.db2.gz QRAGRNZNMMERBM-APHAIJBRSA-N 0 0 450.648 6.578 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)Oc1cc(C)cc(C)c1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000026721851 563033857 /nfs/dbraw/zinc/03/38/57/563033857.db2.gz DKTMSWZWAXACFK-UHFFFAOYSA-N 0 0 461.945 6.065 1 0 JKAFRN COc1ccc(C2=C(/C=C/C(=O)N[C@@H](C)CCCc3cccnc3)CCc3cc(OC)ccc32)cc1 ZINC000026722307 563033883 /nfs/dbraw/zinc/03/38/83/563033883.db2.gz SEKWQXSGSKGBFM-CAVPUYEOSA-N 0 0 482.624 5.931 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)OCCC1CCCCC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000026728245 563034078 /nfs/dbraw/zinc/03/40/78/563034078.db2.gz BLHPNIMFDNZQBZ-UHFFFAOYSA-N 0 0 467.993 6.356 1 0 JKAFRN C[C@]12CC[C@@H]3[C@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CBr ZINC000026742729 563034742 /nfs/dbraw/zinc/03/47/42/563034742.db2.gz NJULPAVJMURXJB-WBALPYHWSA-N 0 0 488.260 5.198 1 0 JKAFRN CCc1nc2cc(OCC3CC3)c(OC)cc2c(-c2cc(OCC3CC3)cc(OCC3CC3)c2)n1 ZINC000026741764 563034775 /nfs/dbraw/zinc/03/47/75/563034775.db2.gz HWOQSAIEJDCARY-UHFFFAOYSA-N 0 0 474.601 6.234 1 0 JKAFRN CSc1ccc(C(=O)Nc2ccc(C(=O)N3CC[C@@]4(C=CCCC4)Cc4ccccc43)cc2)cc1 ZINC000026751995 563035325 /nfs/dbraw/zinc/03/53/25/563035325.db2.gz DFPRBHBHDSZUJQ-PMERELPUSA-N 0 0 482.649 6.980 1 0 JKAFRN O=C1C[C@H](O)C[C@H](COc2c(Cl)cc(Cl)cc2C(c2ccc(F)cc2)c2ccc(F)cc2)O1 ZINC000026816842 563035417 /nfs/dbraw/zinc/03/54/17/563035417.db2.gz VBDZHZVKTYBQHH-WOJBJXKFSA-N 0 0 493.333 5.897 1 0 JKAFRN C[S@@](=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CC[C@@]4(C=CCCC4)Cc4ccccc43)cc2)cc1 ZINC000026817053 563035437 /nfs/dbraw/zinc/03/54/37/563035437.db2.gz ZRJYUYCGVMDHOG-ARPOTICCSA-N 0 0 498.648 5.996 1 0 JKAFRN Cc1ccc(C(=O)Nc2ccc(C(=O)N3CC[C@@]4(C=CCCC4)Cc4ccccc43)cc2)cc1C ZINC000026822688 563035764 /nfs/dbraw/zinc/03/57/64/563035764.db2.gz YIYITFPXCQENSL-HKBQPEDESA-N 0 0 464.609 6.875 1 0 JKAFRN COc1cc(O[C@@H](C)c2ccccc2)ccc1C(=O)N1CCC(N2c3ccccc3COC2=O)CC1 ZINC000026824783 563035877 /nfs/dbraw/zinc/03/58/77/563035877.db2.gz SEQLKNFXPQACMA-FQEVSTJZSA-N 0 0 486.568 5.597 1 0 JKAFRN CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2cccc(-c3ccco3)c2)[C@H](O)C[C@@H]1O ZINC000026828541 563036096 /nfs/dbraw/zinc/03/60/96/563036096.db2.gz MOUSQDSBOBLWHW-LXFWEKMUSA-N 0 0 496.644 5.222 1 0 JKAFRN O=C(C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1CCCCC1)c1ccccc1)C1CCCCC1 ZINC000026942831 563037778 /nfs/dbraw/zinc/03/77/78/563037778.db2.gz BSOXZEAGEJRDHW-IZZNHLLZSA-N 0 0 467.650 6.162 1 0 JKAFRN Cc1cc(C)c2ccc(NC(=O)c3cccnc3[S@](=O)C(c3ccccc3)c3ccccc3)nc2n1 ZINC000026947878 563037867 /nfs/dbraw/zinc/03/78/67/563037867.db2.gz ZVSUGRVXZJCOEA-BHVANESWSA-N 0 0 492.604 5.791 1 0 JKAFRN CC1(C)COC(=O)CCCCCCCCCCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026962103 563038104 /nfs/dbraw/zinc/03/81/04/563038104.db2.gz IYFSYLMTIAIDOZ-HSZRJFAPSA-N 0 0 493.685 5.524 1 0 JKAFRN C[S@@](=O)c1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccnc(Cl)c3)[nH]2)cc1 ZINC000026965524 563038224 /nfs/dbraw/zinc/03/82/24/563038224.db2.gz URGZCSJVIFWDNW-PMERELPUSA-N 0 0 457.983 5.961 1 0 JKAFRN CCn1c2ccccc2c2ccc([C@@H]3SCC(=O)N3[C@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc21 ZINC000026968389 563038257 /nfs/dbraw/zinc/03/82/57/563038257.db2.gz HGUAGICHMHBLCU-IAPPQJPRSA-N 0 0 497.620 5.654 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H](CCc1ccccc1)C1CCCCC1 ZINC000026967168 563038299 /nfs/dbraw/zinc/03/82/99/563038299.db2.gz PANCOFAQARSQHI-DNQXCXABSA-N 0 0 455.639 5.498 1 0 JKAFRN CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3cccc(OC)c3)[nH]2)c1 ZINC000026985717 563038754 /nfs/dbraw/zinc/03/87/54/563038754.db2.gz XDGZSVPHADAZSU-AREMUKBSSA-N 0 0 482.646 5.610 1 0 JKAFRN CN1c2ccc(Cl)cc2C(c2ccc(O)cc2)=N[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000026993585 563038841 /nfs/dbraw/zinc/03/88/41/563038841.db2.gz VUGKDIJRBGOZHO-SANMLTNESA-N 0 0 466.968 6.138 1 0 JKAFRN CC[C@@H](C)CCN1C(=O)N(CC[C@@H](C)CC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000027098453 563039855 /nfs/dbraw/zinc/03/98/55/563039855.db2.gz WTIUBSYWCRBCDS-BDLOGJEKSA-N 0 0 494.720 5.541 1 0 JKAFRN COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC000027197496 563041281 /nfs/dbraw/zinc/04/12/81/563041281.db2.gz HBAVKUFQJFXVKI-DNQXCXABSA-N 0 0 455.476 6.321 1 0 JKAFRN CCCc1c(Cl)c(Cl)ccc1OC[C@H](O)COc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000027201777 563041487 /nfs/dbraw/zinc/04/14/87/563041487.db2.gz HOMBGUXSXALJTI-LEBHLANCSA-N 0 0 498.453 6.094 1 0 JKAFRN Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000027208703 563041856 /nfs/dbraw/zinc/04/18/56/563041856.db2.gz UXPMCXMNVABQGS-IUAQSZDVSA-N 0 0 494.676 5.013 1 0 JKAFRN CCCc1c(Cl)c(Cl)ccc1OC[C@H](O)COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000027210157 563041956 /nfs/dbraw/zinc/04/19/56/563041956.db2.gz OAUGPWCZRZXLTD-SAGYFLTASA-N 0 0 482.385 5.089 1 0 JKAFRN Cc1cc(NC(=O)Cc2ccc3[nH]c(-c4ccc(Cl)s4)nc3c2)ccc1-n1ccccc1=O ZINC000027211583 563041993 /nfs/dbraw/zinc/04/19/93/563041993.db2.gz AVCFRWNDECUPNG-UHFFFAOYSA-N 0 0 474.973 5.585 1 0 JKAFRN CC(C)c1nn(-c2cccc3ccccc32)c(-c2ccc(F)cc2)c1CC[C@H]1C[C@H](O)CC(=O)O1 ZINC000027216923 563042283 /nfs/dbraw/zinc/04/22/83/563042283.db2.gz GYYJFSUCOWTMHG-GOTSBHOMSA-N 0 0 472.560 5.954 1 0 JKAFRN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](c4ccccc4)C=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000027303572 563042397 /nfs/dbraw/zinc/04/23/97/563042397.db2.gz WTGOSNUCJYCKAE-RRTVFTGYSA-N 0 0 475.761 8.447 1 0 JKAFRN 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C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000028467811 563065125 /nfs/dbraw/zinc/06/51/25/563065125.db2.gz RVTHSKIKXRSJMQ-LOVCAUPMSA-N 0 0 456.711 6.485 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3cccc(Cl)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028468222 563065158 /nfs/dbraw/zinc/06/51/58/563065158.db2.gz GLIRBLKZSXVKCE-OBGWFSINSA-N 0 0 488.027 7.307 1 0 JKAFRN COC1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@@H]2C(C)(C)C1=O ZINC000028468132 563065166 /nfs/dbraw/zinc/06/51/66/563065166.db2.gz BYEXYPQCFLHORA-KQCRJKFNSA-N 0 0 486.737 6.459 1 0 JKAFRN CCCc1c2ccn(CC(C)(C)C)c2ccc1OCc1cccc(-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000028469228 563065176 /nfs/dbraw/zinc/06/51/76/563065176.db2.gz RYDIHZXJESNRRZ-UHFFFAOYSA-N 0 0 479.628 7.066 1 0 JKAFRN CCOP(=O)(/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1)OCC ZINC000028469175 563065232 /nfs/dbraw/zinc/06/52/32/563065232.db2.gz ZDBPJOCRSJPKFF-VAWYXSNFSA-N 0 0 466.558 7.764 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc3c(c2OC)OC(C)(C)C=C3)C(=O)C2CCCCC2)c1 ZINC000028470509 563065332 /nfs/dbraw/zinc/06/53/32/563065332.db2.gz HEMCUOLTSONVNP-DTQAZKPQSA-N 0 0 489.612 6.179 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(F)c(F)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028470871 563065412 /nfs/dbraw/zinc/06/54/12/563065412.db2.gz BDODXGJAWNBMNH-SFQUDFHCSA-N 0 0 489.562 6.932 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccccc2Br)C(=O)C2CCCCC2)c1 ZINC000028472322 563065493 /nfs/dbraw/zinc/06/54/93/563065493.db2.gz MRGVJQRTLAMJHG-CCEZHUSRSA-N 0 0 456.380 5.749 1 0 JKAFRN O=C([O-])COc1cccc2c1CCC[C@H]2[N@@H+]1CCC[C@H]1c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000028473450 563065695 /nfs/dbraw/zinc/06/56/95/563065695.db2.gz RIEYXRPBTRTFGV-FTJBHMTQSA-N 0 0 494.591 6.687 1 0 JKAFRN COC(=O)/C=C/c1ccc(CN(C(=O)C2CCCCC2)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC000028474838 563065765 /nfs/dbraw/zinc/06/57/65/563065765.db2.gz KNGOYYQZAXGIQR-YTEMWHBBSA-N 0 0 461.558 5.173 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccc3F)cc2)C(=O)C(C)C)c1 ZINC000028476038 563065886 /nfs/dbraw/zinc/06/58/86/563065886.db2.gz OSGNEERXKABAEG-YTEMWHBBSA-N 0 0 457.545 6.372 1 0 JKAFRN CCCCCc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccnc(OC(C)C)c2)cc1 ZINC000028476675 563065970 /nfs/dbraw/zinc/06/59/70/563065970.db2.gz PGZQYDHNPSNUGV-MHZLTWQESA-N 0 0 485.628 5.807 1 0 JKAFRN O=C1N(Cc2cccc(COc3ccc(-c4ccc(Cl)cc4)cc3)n2)CCN1c1ccncc1 ZINC000028476800 563066069 /nfs/dbraw/zinc/06/60/69/563066069.db2.gz QBLVCNWJPXIKSB-UHFFFAOYSA-N 0 0 470.960 5.818 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCC3)c1 ZINC000028522862 563066633 /nfs/dbraw/zinc/06/66/33/563066633.db2.gz ZBIPNXHCIBNIDS-CUNXSJBXSA-N 0 0 486.660 5.528 1 0 JKAFRN FC(F)(F)c1cnc(Nc2ccc3[nH]cnc3c2)nc1Oc1ccc(Br)cc1 ZINC000028523645 563066887 /nfs/dbraw/zinc/06/68/87/563066887.db2.gz ODTXXSYQUPRGHZ-UHFFFAOYSA-N 0 0 450.218 5.670 1 0 JKAFRN Brc1cnc(Nc2ccc(Oc3cccnc3)cc2)nc1Nc1ccc2[nH]cnc2c1 ZINC000028523911 563067057 /nfs/dbraw/zinc/06/70/57/563067057.db2.gz YFUXGSNLCYWGKQ-UHFFFAOYSA-N 0 0 474.322 5.790 1 0 JKAFRN CC(C)(C[C@](O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1 ZINC000028524555 563067264 /nfs/dbraw/zinc/06/72/64/563067264.db2.gz UKLYTFISJSJGSO-WJOKGBTCSA-N 0 0 479.576 5.790 1 0 JKAFRN Cc1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028525032 563067465 /nfs/dbraw/zinc/06/74/65/563067465.db2.gz MHHXJUJWDGPAEH-KEWLPNKHSA-N 0 0 450.332 6.725 1 0 JKAFRN CCCC[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1CCCC ZINC000028525595 563067614 /nfs/dbraw/zinc/06/76/14/563067614.db2.gz CMJPJNBMUFZCAM-PFBJBMPXSA-N 0 0 452.614 7.002 1 0 JKAFRN CC(C)(C)CC(=O)Nc1ccc2c(cc(C(=O)Nc3ccccc3)n2CCc2ccccc2)c1 ZINC000028525891 563067732 /nfs/dbraw/zinc/06/77/32/563067732.db2.gz JWQJFIYNWTXHAC-UHFFFAOYSA-N 0 0 453.586 6.511 1 0 JKAFRN Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12 ZINC000028525753 563067734 /nfs/dbraw/zinc/06/77/34/563067734.db2.gz 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/nfs/dbraw/zinc/06/89/13/563068913.db2.gz UEQOTLYIRXKYII-UHFFFAOYSA-N 0 0 495.505 5.816 1 0 JKAFRN FC(F)(F)c1cc(-c2ccc(Br)cc2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000028568194 563070001 /nfs/dbraw/zinc/07/00/01/563070001.db2.gz UFSYSYDDBATPOT-UHFFFAOYSA-N 0 0 452.661 6.522 1 0 JKAFRN CC(C)c1nc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)c(=O)n1CC(F)(F)F ZINC000028568339 563070007 /nfs/dbraw/zinc/07/00/07/563070007.db2.gz DBGUOIUUPWAFFX-UHFFFAOYSA-N 0 0 481.305 6.242 1 0 JKAFRN O=C([O-])C[C@@H](Cc1csc(CCCc2ccc3c([nH+]2)NCCC3)n1)c1ccc(Cl)cc1 ZINC000028568777 563070111 /nfs/dbraw/zinc/07/01/11/563070111.db2.gz HVRQQWLXXYKJKU-GOSISDBHSA-N 0 0 456.011 5.526 1 0 JKAFRN O=C(c1ccc(-n2ccc(C(F)(F)F)n2)cc1Cl)N1Cc2cccnc2Nc2ccccc21 ZINC000028568765 563070140 /nfs/dbraw/zinc/07/01/40/563070140.db2.gz DSYHSMKXAZQCMT-UHFFFAOYSA-N 0 0 469.854 5.844 1 0 JKAFRN O=C([O-])C[C@@H](Cc1csc(CCCc2ccc3c([nH+]2)NCCC3)n1)c1ccc(F)c(F)c1 ZINC000028570693 563070793 /nfs/dbraw/zinc/07/07/93/563070793.db2.gz QCZXVUVLNOHNFI-QGZVFWFLSA-N 0 0 457.546 5.151 1 0 JKAFRN Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4N(C)c4ccccc43)c(C(F)(F)F)c2)n1 ZINC000028570616 563070806 /nfs/dbraw/zinc/07/08/06/563070806.db2.gz SLMOAHIPSYRQDC-UHFFFAOYSA-N 0 0 463.463 5.523 1 0 JKAFRN FC(F)(F)c1ccc(Nc2cc(-c3ccnc(Nc4ccc(C(F)(F)F)cc4)c3)ccn2)cc1 ZINC000028571010 563070934 /nfs/dbraw/zinc/07/09/34/563070934.db2.gz BSKGCEKODYHOJI-UHFFFAOYSA-N 0 0 474.408 7.668 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc4cc(OCc5ccccc5)ccc4n3)[C@H]12 ZINC000028571651 563071043 /nfs/dbraw/zinc/07/10/43/563071043.db2.gz JWNRFGQKDCUYGJ-YMUVRFIZSA-N 0 0 467.609 6.831 1 0 JKAFRN CCC[C@@H](CNc1ccc(OC)cc1)NC(=O)C1(Nc2cccc(-c3ccccc3)c2)CCCCC1 ZINC000028571709 563071053 /nfs/dbraw/zinc/07/10/53/563071053.db2.gz LFZMCHZIBJJSJS-NDEPHWFRSA-N 0 0 485.672 6.874 1 0 JKAFRN COc1ccc(NC[C@@H](C)NC(=O)C2(Nc3cccc(-c4ccccc4)c3)CCCCC2)cc1 ZINC000028571778 563071174 /nfs/dbraw/zinc/07/11/74/563071174.db2.gz BVAQYWYOIIQSRL-JOCHJYFZSA-N 0 0 457.618 6.094 1 0 JKAFRN CCCCOP(=O)(OCCCC)[C@@H](Nc1nc2c(cccc2C)s1)c1ccccc1F ZINC000028571908 563071180 /nfs/dbraw/zinc/07/11/80/563071180.db2.gz IPIDJNPZSVBKBH-JOCHJYFZSA-N 0 0 464.543 7.681 1 0 JKAFRN CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7nccnc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1O3 ZINC000028637558 563071965 /nfs/dbraw/zinc/07/19/65/563071965.db2.gz SBBISYCVNAFROK-SQFOWWRJSA-N 0 0 462.722 7.133 1 0 JKAFRN CCCCN(C)C(=O)CCCCCC[C@@H]1C[C@H]2[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]2c2cc(OC)c(O)cc21 ZINC000028639663 563072076 /nfs/dbraw/zinc/07/20/76/563072076.db2.gz VAHNHBVWTBXUIO-LAPRBBLPSA-N 0 0 499.736 6.758 1 0 JKAFRN C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(=O)N1CCCC1)C[C@H]1CC(=O)CC[C@@]13C ZINC000028640107 563072136 /nfs/dbraw/zinc/07/21/36/563072136.db2.gz KTRPZVZGJVLJJL-WZKKQVFESA-N 0 0 485.753 6.538 1 0 JKAFRN CCCCNC(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000028641443 563072530 /nfs/dbraw/zinc/07/25/30/563072530.db2.gz 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O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ncccn2)cc1 ZINC000028952791 563087721 /nfs/dbraw/zinc/08/77/21/563087721.db2.gz DDAKCORZDZDGOE-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cncnc2)cc1 ZINC000028952795 563087755 /nfs/dbraw/zinc/08/77/55/563087755.db2.gz NIIPSDAKXQCJQI-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ncncn2)cc1 ZINC000028952813 563087756 /nfs/dbraw/zinc/08/77/56/563087756.db2.gz VNJQDYIQGDBZLR-UHFFFAOYSA-N 0 0 460.416 5.149 1 0 JKAFRN O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2F)ns1)c1ccc(Nc2ccncn2)cc1 ZINC000028953167 563087839 /nfs/dbraw/zinc/08/78/39/563087839.db2.gz AXACYIIAVAFEDG-UHFFFAOYSA-N 0 0 476.415 5.029 1 0 JKAFRN Cc1sc(NC(=O)c2ccc(Nc3ccncn3)cc2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000028952862 563087848 /nfs/dbraw/zinc/08/78/48/563087848.db2.gz DVGGFAIKQGEVTG-UHFFFAOYSA-N 0 0 473.455 6.062 1 0 JKAFRN CC(C)Cc1cc(C(=O)N2CCC[C@@H](OCc3ccccc3)C2)nnc1-c1nc(C(C)C)co1 ZINC000028953896 563088104 /nfs/dbraw/zinc/08/81/04/563088104.db2.gz ZPHQVOQLLSUOMV-JOCHJYFZSA-N 0 0 462.594 5.275 1 0 JKAFRN Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1C(=O)NCc1c(F)cccc1Cl ZINC000028957019 563088347 /nfs/dbraw/zinc/08/83/47/563088347.db2.gz VEBCZFIUXMGMSW-UHFFFAOYSA-N 0 0 458.363 5.265 1 0 JKAFRN Cc1ccnc(Oc2nc(C)c(N[C@@H]3c4ccccc4C[C@@H]3Oc3nc(C)cnc3C)nc2C)c1 ZINC000028956430 563088384 /nfs/dbraw/zinc/08/83/84/563088384.db2.gz DJZUDIXXYGBMFU-LADGPHEKSA-N 0 0 468.561 5.153 1 0 JKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3ccc(O)cc31)[C@@H]2Cc1ccccc1 ZINC000028958972 563088642 /nfs/dbraw/zinc/08/86/42/563088642.db2.gz VQQLTXOELCKOQJ-IAPPQJPRSA-N 0 0 452.554 6.017 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](Cc1ccccc1)[C@@H](NC(=O)Nc1cccc3cnccc31)CC2 ZINC000028959278 563088723 /nfs/dbraw/zinc/08/87/23/563088723.db2.gz MQYUBTNIICFEKB-RSXGOPAZSA-N 0 0 467.569 5.715 1 0 JKAFRN COc1ccc(C[C@@H]2c3ccc(OC)cc3CC[C@H]2NC(=O)Nc2cccc3cnccc32)cc1 ZINC000028959397 563088734 /nfs/dbraw/zinc/08/87/34/563088734.db2.gz FFNSSAROKQYYJN-IXCJQBJRSA-N 0 0 467.569 5.715 1 0 JKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1cccc(Cl)c1 ZINC000028959470 563088805 /nfs/dbraw/zinc/08/88/05/563088805.db2.gz YXOZWAFCDLJIBZ-AHKZPQOWSA-N 0 0 471.988 6.360 1 0 JKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@H]2Cc1cccc(Cl)c1 ZINC000028959463 563088821 /nfs/dbraw/zinc/08/88/21/563088821.db2.gz YXOZWAFCDLJIBZ-BDYUSTAISA-N 0 0 471.988 6.360 1 0 JKAFRN Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4cccnc4)cc3s2)cc1 ZINC000029037225 563090511 /nfs/dbraw/zinc/09/05/11/563090511.db2.gz AAXGKCJKCNFLDR-UHFFFAOYSA-N 0 0 497.649 6.430 1 0 JKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3ccccc3S(C)(=O)=O)c2)c1)S(C)(=O)=O ZINC000029037735 563090531 /nfs/dbraw/zinc/09/05/31/563090531.db2.gz IGDTYSYGBPLQIY-UHFFFAOYSA-N 0 0 479.623 5.252 1 0 JKAFRN Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(Br)cc3s2)cc1 ZINC000029037218 563090534 /nfs/dbraw/zinc/09/05/34/563090534.db2.gz UBEDKYNGAVJFEP-UHFFFAOYSA-N 0 0 453.365 5.505 1 0 JKAFRN CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc21 ZINC000029037836 563090614 /nfs/dbraw/zinc/09/06/14/563090614.db2.gz FNTAYJSRJQLFCN-UHFFFAOYSA-N 0 0 475.677 6.164 1 0 JKAFRN O=C(c1ccc(C2CCCCC2)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000029038126 563090716 /nfs/dbraw/zinc/09/07/16/563090716.db2.gz CSJKUOSSKDIIJJ-NZQKXSOJSA-N 0 0 458.668 5.171 1 0 JKAFRN CCCOc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCC)c1O ZINC000029039191 563091034 /nfs/dbraw/zinc/09/10/34/563091034.db2.gz GUUZPHNFSXPBFD-VAWYXSNFSA-N 0 0 497.676 6.600 1 0 JKAFRN CC(C)Nc1cc(Cl)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn21 ZINC000029039983 563091281 /nfs/dbraw/zinc/09/12/81/563091281.db2.gz UHYVQIPHBDYTBN-UHFFFAOYSA-N 0 0 464.976 6.426 1 0 JKAFRN Fc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029039834 563091316 /nfs/dbraw/zinc/09/13/16/563091316.db2.gz SQQVANPMGGBYDX-UHFFFAOYSA-N 0 0 456.569 6.306 1 0 JKAFRN CC(C)(C)c1cc2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)c(=O)oc2c(C(C)(C)C)c1 ZINC000029040339 563091360 /nfs/dbraw/zinc/09/13/60/563091360.db2.gz REMSYVMXTXJCRH-ZHACJKMWSA-N 0 0 471.519 7.059 1 0 JKAFRN Cc1ccc(Oc2ccc(Nc3ncnc4cccc(O[C@H](C)C(=O)N(C)C)c43)cc2C)cn1 ZINC000029041297 563091681 /nfs/dbraw/zinc/09/16/81/563091681.db2.gz XNXUDGXKTVZKLB-GOSISDBHSA-N 0 0 457.534 5.033 1 0 JKAFRN CSc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 ZINC000029042639 563091903 /nfs/dbraw/zinc/09/19/03/563091903.db2.gz DYBYBSJVJPDSSC-UHFFFAOYSA-N 0 0 483.615 6.005 1 0 JKAFRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccnc(Nc4ccc5ncsc5c4)n3)cc2)cc1 ZINC000029042849 563091919 /nfs/dbraw/zinc/09/19/19/563091919.db2.gz FOMNRCWLNQXJGC-UHFFFAOYSA-N 0 0 473.583 5.606 1 0 JKAFRN C[C@@H](O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 ZINC000029042635 563091945 /nfs/dbraw/zinc/09/19/45/563091945.db2.gz BHSQJJXTIHCAAO-CQSZACIVSA-N 0 0 481.574 5.337 1 0 JKAFRN CNc1nccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1 ZINC000029043641 563092031 /nfs/dbraw/zinc/09/20/31/563092031.db2.gz 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COc1cc2c(cc1OCCCCCn1c3ccccc3nc1-c1ccco1)N=C[C@@H]1CCCN1C2=O ZINC000029052333 563093081 /nfs/dbraw/zinc/09/30/81/563093081.db2.gz CXTGGRMXBGAYHF-FQEVSTJZSA-N 0 0 498.583 5.875 1 0 JKAFRN CCOc1cc(-c2c(CC)cccc2CC)nc2c1[C@@H](N(CC)c1cccc3ccccc31)CCC2 ZINC000029052914 563093195 /nfs/dbraw/zinc/09/31/95/563093195.db2.gz BQMYVJFIUYEZOY-PMERELPUSA-N 0 0 478.680 8.329 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2cccc(C(F)(F)F)c2C1 ZINC000029053826 563093241 /nfs/dbraw/zinc/09/32/41/563093241.db2.gz WHPOPVNAZREUII-SANMLTNESA-N 0 0 494.601 7.337 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2cccc(C(F)(F)F)c2C1 ZINC000029053829 563093245 /nfs/dbraw/zinc/09/32/45/563093245.db2.gz WHPOPVNAZREUII-AREMUKBSSA-N 0 0 494.601 7.337 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3c(OC)cccc3OC)cc(OC)c21 ZINC000029053998 563093254 /nfs/dbraw/zinc/09/32/54/563093254.db2.gz TZGXEJLYSZSSII-VWLOTQADSA-N 0 0 468.597 6.832 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3ccccc3C(C)C)cc(OC)c21 ZINC000029053785 563093290 /nfs/dbraw/zinc/09/32/90/563093290.db2.gz DGSPLOHGPZJAPM-GDLZYMKVSA-N 0 0 450.626 7.938 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccc(Cl)cc2C1 ZINC000029054373 563093349 /nfs/dbraw/zinc/09/33/49/563093349.db2.gz RRAIGQLMINVACN-SANMLTNESA-N 0 0 461.049 6.971 1 0 JKAFRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(C(=O)c4c(Cl)cc(Cl)cc4Cl)c3)c2C1 ZINC000029054500 563093366 /nfs/dbraw/zinc/09/33/66/563093366.db2.gz OMJAJFDTJSLAQK-LLVKDONJSA-N 0 0 495.794 5.923 1 0 JKAFRN COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4cc(Cl)ccc4[nH]3)c2c1 ZINC000029054662 563093445 /nfs/dbraw/zinc/09/34/45/563093445.db2.gz AURHBCXEYHGOLZ-DEOSSOPVSA-N 0 0 495.023 5.954 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2c(Cl)cccc2C1 ZINC000029054536 563093479 /nfs/dbraw/zinc/09/34/79/563093479.db2.gz DKDZODIIQJVFAD-SANMLTNESA-N 0 0 461.049 6.971 1 0 JKAFRN c1ccc2[nH]c(-c3cccc(OCCCCCOc4cccc(-c5nc6ccccc6[nH]5)c4)c3)nc2c1 ZINC000029056178 563093587 /nfs/dbraw/zinc/09/35/87/563093587.db2.gz QZPOASXCOYQSRX-UHFFFAOYSA-N 0 0 488.591 7.401 1 0 JKAFRN CCc1c(=O)[nH]c(SCC(=O)c2ccc(OC)cc2)nc1C(c1ccccc1)c1ccccc1 ZINC000029057991 563093722 /nfs/dbraw/zinc/09/37/22/563093722.db2.gz ZVRICNHZTNMJRP-UHFFFAOYSA-N 0 0 470.594 5.496 1 0 JKAFRN COc1ccc(NC(=O)/C=C2\c3nc4ccccc4cc3C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000029057954 563093784 /nfs/dbraw/zinc/09/37/84/563093784.db2.gz BICLYTSYMDBWTN-HZHRSRAPSA-N 0 0 455.901 5.537 1 0 JKAFRN CC(C)CC(=O)c1c(O)c2c(c(C(=O)CC(C)C)c1O)O[C@]1(CCO)[C@@H]3C[C@H](C[C@@H]1C2)C3(C)C ZINC000029064025 563094066 /nfs/dbraw/zinc/09/40/66/563094066.db2.gz SGSUBGRBPXIBDG-KHTJYVKYSA-N 0 0 472.622 5.294 1 0 JKAFRN CC(C)C(=O)N(CCCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000029124003 563094341 /nfs/dbraw/zinc/09/43/41/563094341.db2.gz NOOVBVKHJMSWRG-UHFFFAOYSA-N 0 0 450.539 5.037 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3F)c2cc1OC ZINC000029124200 563094418 /nfs/dbraw/zinc/09/44/18/563094418.db2.gz 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1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)CCc1ccccc1)c1ccccc1)C(C)C ZINC000034986701 563117823 /nfs/dbraw/zinc/11/78/23/563117823.db2.gz SBVQSSIMWONYEL-LMSSTIIKSA-N 0 0 471.645 5.343 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034986696 563117873 /nfs/dbraw/zinc/11/78/73/563117873.db2.gz LAZKKOQEAVOWIR-RNCAPKPVSA-N 0 0 486.660 5.655 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)CCCc1ccccc1)c1ccccc1)C(C)C ZINC000034986589 563117912 /nfs/dbraw/zinc/11/79/12/563117912.db2.gz PNEMSBZLOXDGQB-MFMCTBQISA-N 0 0 485.672 5.734 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)CCc1ccccc1F)c1ccccc1)C(C)C ZINC000034986705 563117954 /nfs/dbraw/zinc/11/79/54/563117954.db2.gz CFODJXSQXWCMFC-LITSAYRRSA-N 0 0 489.635 5.483 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CNC(=O)NCc1cccc(F)c1)c1ccccc1)C(C)C ZINC000034986809 563117960 /nfs/dbraw/zinc/11/79/60/563117960.db2.gz NRXULSNNNARUBH-RRPNLBNLSA-N 0 0 490.623 5.233 1 0 JKAFRN 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CC[C@](O)(c1cn(Cc2ccc3c(c2)sc(C(C)=O)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986860 563117978 /nfs/dbraw/zinc/11/79/78/563117978.db2.gz QCVHQBKSBJJNID-QFIPXVFZSA-N 0 0 459.493 5.571 1 0 JKAFRN CC[C@@](O)(c1cn(Cc2ccc3c(c2)sc(C(=O)N(C)C)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986983 563118020 /nfs/dbraw/zinc/11/80/20/563118020.db2.gz DQXXWUPHDARIPI-HSZRJFAPSA-N 0 0 488.535 5.070 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CC(=O)NCc1ccccc1F)c1ccccc1)C(C)C ZINC000034987274 563118022 /nfs/dbraw/zinc/11/80/22/563118022.db2.gz SBEQMVQMXSOEDS-NAKRPHOHSA-N 0 0 475.608 5.440 1 0 JKAFRN CC[C@](O)(c1cn(Cc2ccc3c(c2)sc(C(=O)N(C)C)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986984 563118036 /nfs/dbraw/zinc/11/80/36/563118036.db2.gz DQXXWUPHDARIPI-QHCPKHFHSA-N 0 0 488.535 5.070 1 0 JKAFRN CC[C@@](O)(c1cn(Cc2ccc3c(c2)sc([C@H](C)O)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986863 563118037 /nfs/dbraw/zinc/11/80/37/563118037.db2.gz OGKPZQUWFNSSNB-RCDICMHDSA-N 0 0 461.509 5.421 1 0 JKAFRN CC[C@](O)(c1cn(Cc2ccc3c(c2)sc(C(C)(C)O)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986980 563118039 /nfs/dbraw/zinc/11/80/39/563118039.db2.gz FUWQAKNTNMMDBM-QHCPKHFHSA-N 0 0 475.536 5.595 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CNC(=O)N[C@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987058 563118050 /nfs/dbraw/zinc/11/80/50/563118050.db2.gz LAZKKOQEAVOWIR-QPVYNBJUSA-N 0 0 486.660 5.655 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CC(=O)NCCSC(C)(C)C)c1ccccc1)C(C)C ZINC000034987380 563118069 /nfs/dbraw/zinc/11/80/69/563118069.db2.gz WENRLSGTPKHYKG-RSXGOPAZSA-N 0 0 483.722 5.632 1 0 JKAFRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2C(C)C)cc1 ZINC000035002837 563118165 /nfs/dbraw/zinc/11/81/65/563118165.db2.gz JYYGETHFSFXWNG-UHFFFAOYSA-N 0 0 459.413 5.501 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1c(C)ccc2c(C)cccc21 ZINC000035002914 563118173 /nfs/dbraw/zinc/11/81/73/563118173.db2.gz FAQQTSDIPGZECN-UHFFFAOYSA-N 0 0 481.419 5.839 1 0 JKAFRN CSCc1nnc(SCC(=O)Nc2ccc(C)cc2Br)n1-c1ccc(C)cc1 ZINC000035002848 563118201 /nfs/dbraw/zinc/11/82/01/563118201.db2.gz NMXHVAQJJGVRHM-UHFFFAOYSA-N 0 0 477.453 5.240 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1cc(C)c(C)c2ccccc21 ZINC000035002904 563118205 /nfs/dbraw/zinc/11/82/05/563118205.db2.gz AGCBDAMZNNNWNK-UHFFFAOYSA-N 0 0 481.419 5.839 1 0 JKAFRN COc1ccc2c(Cc3ccc(C(C)C)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014887 563118308 /nfs/dbraw/zinc/11/83/08/563118308.db2.gz RMXQKRNQRBAYEZ-UHFFFAOYSA-N 0 0 453.538 5.628 1 0 JKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2C)cc1-c1ccc2nc(NC3CC3)ncc2c1 ZINC000035049789 563118385 /nfs/dbraw/zinc/11/83/85/563118385.db2.gz IZZSAERQBCCMSM-UHFFFAOYSA-N 0 0 476.502 6.759 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000035050529 563118493 /nfs/dbraw/zinc/11/84/93/563118493.db2.gz IRKSMPSMJBSGJT-JBZGATTQSA-N 0 0 459.671 5.588 1 0 JKAFRN O=S(=O)(c1ccc2ccccc2c1)N(CCN(Cc1c[nH]cn1)c1ccccc1)Cc1ccccc1 ZINC000035049856 563118506 /nfs/dbraw/zinc/11/85/06/563118506.db2.gz MIIBPBXJXLTVFH-UHFFFAOYSA-N 0 0 496.636 5.461 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000035079229 563118886 /nfs/dbraw/zinc/11/88/86/563118886.db2.gz HAMLZAXSMZZNHH-BXKMTCNYSA-N 0 0 490.858 7.335 1 0 JKAFRN O=C1c2ccccc2S[C@H](c2ccc(Cl)cc2)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091187 563119187 /nfs/dbraw/zinc/11/91/87/563119187.db2.gz YXQTUEZKBHGDPC-AREMUKBSSA-N 0 0 494.447 7.291 1 0 JKAFRN O=C1c2ccccc2S[C@@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091116 563119193 /nfs/dbraw/zinc/11/91/93/563119193.db2.gz IKPBSJBGJRIQDK-VWLOTQADSA-N 0 0 480.420 6.900 1 0 JKAFRN CCCCCN(C(=O)c1ccc(C)cc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000035094408 563119205 /nfs/dbraw/zinc/11/92/05/563119205.db2.gz WFPLXKYLVLBZIC-AREMUKBSSA-N 0 0 497.639 6.486 1 0 JKAFRN CCCCC(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc21)Cc1ccccc1OC ZINC000035095896 563119206 /nfs/dbraw/zinc/11/92/06/563119206.db2.gz VCDMBGIFIGMLFT-OAQYLSRUSA-N 0 0 463.622 6.052 1 0 JKAFRN O=C1c2ccccc2S[C@H](c2ccc(Cl)cc2)N1CCNc1ccnc2cc(Cl)ccc21 ZINC000035091118 563119213 /nfs/dbraw/zinc/11/92/13/563119213.db2.gz IKPBSJBGJRIQDK-RUZDIDTESA-N 0 0 480.420 6.900 1 0 JKAFRN O=C(NCCCCNc1ccnc2cc(Cl)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035190647 563119301 /nfs/dbraw/zinc/11/93/01/563119301.db2.gz FPQWJBZYOTXPTM-UHFFFAOYSA-N 0 0 489.847 6.548 1 0 JKAFRN CN(CCCNc1ccnc2cc(Cl)ccc21)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000035190820 563119309 /nfs/dbraw/zinc/11/93/09/563119309.db2.gz SKSCOXDHKDZXMS-UHFFFAOYSA-N 0 0 458.798 5.318 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c1 ZINC000035097445 563119311 /nfs/dbraw/zinc/11/93/11/563119311.db2.gz MIKZUXOTVWZUKM-FQEVSTJZSA-N 0 0 489.566 6.445 1 0 JKAFRN Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C(=O)/C=C/c2ccccc2)C(C)C)c1C ZINC000035171838 563119323 /nfs/dbraw/zinc/11/93/23/563119323.db2.gz WBQSPQGZRLPSKP-WUKNDPDISA-N 0 0 472.633 5.676 1 0 JKAFRN COc1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192449 563119356 /nfs/dbraw/zinc/11/93/56/563119356.db2.gz NKPWWSGWZWYCFO-SQHAQQRYSA-N 0 0 492.616 6.027 1 0 JKAFRN CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/c2ccccc2C(F)(F)F)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000035242328 563119400 /nfs/dbraw/zinc/11/94/00/563119400.db2.gz JTPUXURMLCOUCM-ZGDGWKILSA-N 0 0 472.547 6.337 1 0 JKAFRN COc1ccc(C(=O)N2[C@@H](c3ccc(C(C)(C)C)cc3)SC[C@@H]2C(=O)NCCC(C)C)cc1 ZINC000035192439 563119406 /nfs/dbraw/zinc/11/94/06/563119406.db2.gz VFOCQSZCHQYPHH-ZEQKJWHPSA-N 0 0 468.663 5.411 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035229259 563119407 /nfs/dbraw/zinc/11/94/07/563119407.db2.gz KGXURCDXGLPKNG-MUUNZHRXSA-N 0 0 471.601 5.351 1 0 JKAFRN COc1ccc(I)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 ZINC000035259188 563119510 /nfs/dbraw/zinc/11/95/10/563119510.db2.gz BYCWWLVJQSNJDS-UHFFFAOYSA-N 0 0 491.300 5.784 1 0 JKAFRN COP(=O)(OC)[C@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000035801684 563120389 /nfs/dbraw/zinc/12/03/89/563120389.db2.gz NGRDPXBZMGDVFN-KRWDZBQOSA-N 0 0 452.749 5.466 1 0 JKAFRN COC(=O)c1cc(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000035821448 563120456 /nfs/dbraw/zinc/12/04/56/563120456.db2.gz PBSSNXMDXFNZFP-UHFFFAOYSA-N 0 0 479.573 5.756 1 0 JKAFRN CC1=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 ZINC000035862906 563120915 /nfs/dbraw/zinc/12/09/15/563120915.db2.gz LADJRPDOKVCQCG-NZQKXSOJSA-N 0 0 471.363 5.982 1 0 investigational JKAFRN C[C@H](CC[C@@H]1O[C@@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902963 563121156 /nfs/dbraw/zinc/12/11/56/563121156.db2.gz DHGMYNLRIYMOGS-QYAYDWPBSA-N 0 0 470.694 6.050 1 0 in-vitro JKAFRN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000035913043 563121215 /nfs/dbraw/zinc/12/12/15/563121215.db2.gz OOUQFJJUJVRKSR-JVAFGIKQSA-N 0 0 491.584 5.991 1 0 JKAFRN O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000035974872 563121590 /nfs/dbraw/zinc/12/15/90/563121590.db2.gz RLEMIIBGFDBVBD-HKBQPEDESA-N 0 0 496.054 6.412 1 0 JKAFRN CC(C)(C)c1cc(C(=O)N2CCSCC2)c(NC(=O)Nc2cccc3ccccc32)s1 ZINC000035984899 563121672 /nfs/dbraw/zinc/12/16/72/563121672.db2.gz WDVYMIJZYQKAKJ-UHFFFAOYSA-N 0 0 453.633 6.032 1 0 JKAFRN CCCC(CCC)C(=O)NN1c2ccc(Cl)cc2N=C(N2CCN(C)CC2)c2ccccc21 ZINC000036089471 563122026 /nfs/dbraw/zinc/12/20/26/563122026.db2.gz KPULVFIDUFPCCH-UHFFFAOYSA-N 0 0 468.045 5.365 1 0 JKAFRN CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccc4ccccc4c3)c3ccccc32)CC1 ZINC000036089403 563122039 /nfs/dbraw/zinc/12/20/39/563122039.db2.gz MZTMADWJIHWTJI-UHFFFAOYSA-N 0 0 496.014 5.615 1 0 JKAFRN COc1cccc(-c2ccc(OCC[N@@H+]3CCC[C@H]3C(=O)[O-])c(Sc3cccc(F)c3)c2)c1 ZINC000036143408 563122728 /nfs/dbraw/zinc/12/27/28/563122728.db2.gz VNHDSDIQDAGRAU-QHCPKHFHSA-N 0 0 467.562 5.580 1 0 JKAFRN CCCCc1cc(N[C@@H](CC(C)C)C(=O)NCCCOCC)nc(-n2cnc(-c3ccccc3)c2)n1 ZINC000036143695 563122737 /nfs/dbraw/zinc/12/27/37/563122737.db2.gz JSSMASFNICPGJG-DEOSSOPVSA-N 0 0 492.668 5.041 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@@H+]1CCOc1ccc(-c2ccc(Cl)cc2)cc1Sc1cccc(F)c1 ZINC000036143365 563122739 /nfs/dbraw/zinc/12/27/39/563122739.db2.gz LSXOBMHVATVZGK-QFIPXVFZSA-N 0 0 471.981 6.225 1 0 JKAFRN COC(=O)C[C@H](c1cccc(-c2c(C)noc2C)c1)[C@@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159800 563122944 /nfs/dbraw/zinc/12/29/44/563122944.db2.gz GUYZVPLNHXHNFV-SQHAQQRYSA-N 0 0 477.605 5.429 1 0 JKAFRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160914 563123056 /nfs/dbraw/zinc/12/30/56/563123056.db2.gz CDLWUVFLMVGQGL-DEOSSOPVSA-N 0 0 465.525 5.548 1 0 JKAFRN C[C@@H](c1ccccc1)c1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)O)ccn32)n1 ZINC000036161090 563123062 /nfs/dbraw/zinc/12/30/62/563123062.db2.gz LLTBQNHBQIAVQZ-SFHVURJKSA-N 0 0 453.521 5.570 1 0 JKAFRN CCCC[C@@H](CC)CCC[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCC[C@H](CC)CCCC)O2)O1 ZINC000036177401 563123412 /nfs/dbraw/zinc/12/34/12/563123412.db2.gz OPEOKUVYFKNDIO-HAMKONSASA-N 0 0 482.790 7.577 1 0 JKAFRN O=C([O-])C[C@@H]1CC[C@H](c2ccc(-c3noc(-c4ccc([C@H]5CCC(F)(F)C5)cc4)n3)cc2)[NH2+]1 ZINC000036178466 563123416 /nfs/dbraw/zinc/12/34/16/563123416.db2.gz YARHFBRDYSZBIN-PCCBWWKXSA-N 0 0 453.489 5.574 1 0 JKAFRN O=C([O-])C[C@H]1C[NH2+][C@H](c2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000036178525 563123533 /nfs/dbraw/zinc/12/35/33/563123533.db2.gz UNTMCOZQSGVJBE-BTYIYWSLSA-N 0 0 461.505 6.138 1 0 JKAFRN CCOc1ccc(Nc2ncc3c(n2)N2CCC(=O)N2C(c2c(Cl)cccc2Cl)=C3)cc1 ZINC000036187662 563123901 /nfs/dbraw/zinc/12/39/01/563123901.db2.gz VYZYZDWDTJACSM-UHFFFAOYSA-N 0 0 468.344 5.391 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1c(Cl)cccc1C(F)(F)F ZINC000036189022 563124046 /nfs/dbraw/zinc/12/40/46/563124046.db2.gz CHSQDJYRTBPAPX-LVOMDDRMSA-N 0 0 494.985 6.211 1 0 JKAFRN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000036294678 563125474 /nfs/dbraw/zinc/12/54/74/563125474.db2.gz GEUFMHWPIXFMJY-HUUCEWRRSA-N 0 0 475.807 5.876 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1F ZINC000036294841 563125561 /nfs/dbraw/zinc/12/55/61/563125561.db2.gz UAQZEOXBFRPEBY-GAJHUEQPSA-N 0 0 474.403 6.821 1 0 JKAFRN Cc1c(C(=O)N[C@@H](C)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000036294739 563125568 /nfs/dbraw/zinc/12/55/68/563125568.db2.gz XRRLMBGHPWORJQ-AWEZNQCLSA-N 0 0 450.797 6.582 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(F)c1 ZINC000036294834 563125569 /nfs/dbraw/zinc/12/55/69/563125569.db2.gz FGJHUABKMGQONH-BXKMTCNYSA-N 0 0 474.403 6.821 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294705 563125582 /nfs/dbraw/zinc/12/55/82/563125582.db2.gz IQBDRJGQTWPMPY-OKILXGFUSA-N 0 0 476.795 5.271 1 0 JKAFRN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nc[nH]n3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000036323703 563125788 /nfs/dbraw/zinc/12/57/88/563125788.db2.gz HHYXMPLEGVKQIW-FPOVZHCZSA-N 0 0 484.444 5.765 1 0 JKAFRN CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(C)c2c1=O ZINC000036331650 563126249 /nfs/dbraw/zinc/12/62/49/563126249.db2.gz WIRZPBIHVGHYQU-UHFFFAOYSA-N 0 0 463.555 5.281 1 0 JKAFRN COc1ccc([C@@](OCC[N@@H+]2CCC[C@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(F)c2)cc1F ZINC000036338608 563126355 /nfs/dbraw/zinc/12/63/55/563126355.db2.gz QPLCEYNIPVOVMI-WTYVLRPYSA-N 0 0 481.539 5.079 1 0 JKAFRN O=C(NCc1ccccc1)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379101 563127371 /nfs/dbraw/zinc/12/73/71/563127371.db2.gz HBRXELPAYBXCON-XMMPIXPASA-N 0 0 458.521 6.237 1 0 JKAFRN COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000036379181 563127449 /nfs/dbraw/zinc/12/74/49/563127449.db2.gz KKSDHRIQCIPJRV-LSYYVWMOSA-N 0 0 478.541 5.113 1 0 JKAFRN COc1ccc([C@]23Cc4c5ccccc5ccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1 ZINC000036379251 563127458 /nfs/dbraw/zinc/12/74/58/563127458.db2.gz WVSAZUBYUSGSIW-FIBWVYCGSA-N 0 0 468.549 6.249 1 0 JKAFRN C[C@@H]1C=CCCO[C@]12C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000036381896 563127808 /nfs/dbraw/zinc/12/78/08/563127808.db2.gz VSNQSEUJFLJVJL-SPLOXXLWSA-N 0 0 466.297 5.823 3 0 JKAFRN CC(C)=CCN1c2cccc(Br)c2[C@@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)C1=O ZINC000036381956 563127811 /nfs/dbraw/zinc/12/78/11/563127811.db2.gz OGYGVBPVRYSTPU-OREGWCPLSA-N 0 0 494.429 6.162 1 0 JKAFRN COc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1SC1CCCCC1 ZINC000036382323 563127963 /nfs/dbraw/zinc/12/79/63/563127963.db2.gz NPSHGPZNPHQFBK-UHFFFAOYSA-N 0 0 457.643 7.355 3 0 JKAFRN O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Cl)cc1 ZINC000036382399 563128006 /nfs/dbraw/zinc/12/80/06/563128006.db2.gz RDZQYIXINFQISV-VWLOTQADSA-N 0 0 496.014 5.263 3 0 JKAFRN COc1ccc([C@@H]2c3c(N)nc(Cc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000036382581 563128139 /nfs/dbraw/zinc/12/81/39/563128139.db2.gz UGINHHWLQFDFLK-SANMLTNESA-N 0 0 475.548 6.106 1 0 JKAFRN CC(=O)Nc1ccc(S[C@@H](CCN2CC[C@H](C(C)(C)C)CCC2=O)c2ccccc2)cc1 ZINC000036382895 563128212 /nfs/dbraw/zinc/12/82/12/563128212.db2.gz DHCCDASBAISHSO-RDGATRHJSA-N 0 0 452.664 6.543 3 0 JKAFRN CC(C)(C)[C@@H]1CCC(=O)N(CC[C@H](Sc2ccc(Br)cc2)c2ccccc2)CC1 ZINC000036383035 563128300 /nfs/dbraw/zinc/12/83/00/563128300.db2.gz IJMRKNABXULMMA-OFNKIYASSA-N 0 0 474.508 7.347 3 0 JKAFRN CC1(C)C[C@H](O)[C@]2(CO)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000036383815 563128386 /nfs/dbraw/zinc/12/83/86/563128386.db2.gz YXTURDGNXCWFHX-QUVGDXMOSA-N 0 0 458.727 6.112 3 0 JKAFRN COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000036384355 563128516 /nfs/dbraw/zinc/12/85/16/563128516.db2.gz VQSKYKHCWRQQGN-LADGPHEKSA-N 0 0 494.513 5.932 3 0 JKAFRN COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000036384337 563128524 /nfs/dbraw/zinc/12/85/24/563128524.db2.gz GURWXFHUBUBBQC-HNAYVOBHSA-N 0 0 470.919 5.374 3 0 JKAFRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC=C4[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@]3(C)CC[C@@H]2C1(C)C ZINC000036385249 563128604 /nfs/dbraw/zinc/12/86/04/563128604.db2.gz UMRPOGLIBDXFNK-CTFBUTQSSA-N 0 0 468.766 8.740 1 0 JKAFRN COc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000036388026 563129330 /nfs/dbraw/zinc/12/93/30/563129330.db2.gz QZYZYZGGQGJXMN-WDABBGLOSA-N 0 0 473.616 7.427 1 0 JKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)N(Cc4ccc(OC)cc4)[C@@](C)(CC[C@@H]12)C3 ZINC000036387950 563129332 /nfs/dbraw/zinc/12/93/32/563129332.db2.gz UCELPMARSSWDIG-POTMFAHISA-N 0 0 467.650 5.752 3 0 JKAFRN COc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000036388024 563129341 /nfs/dbraw/zinc/12/93/41/563129341.db2.gz QZYZYZGGQGJXMN-YBSYEJJDSA-N 0 0 473.616 7.427 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000036388197 563129378 /nfs/dbraw/zinc/12/93/78/563129378.db2.gz QJLHGNUMZRQIHJ-ZFOIDZFXSA-N 0 0 453.582 6.283 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000036388214 563129414 /nfs/dbraw/zinc/12/94/14/563129414.db2.gz JPLGLYXSYMSYAT-XZSNDRSQSA-N 0 0 483.608 6.291 1 0 JKAFRN CC(=O)c1ccc(-c2ccc([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036388425 563129419 /nfs/dbraw/zinc/12/94/19/563129419.db2.gz CBSFIPZNVMHQDA-GFKSZRKTSA-N 0 0 453.557 6.751 1 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@]2(C)C(=O)N1Cc1ccccc1 ZINC000036388270 563129441 /nfs/dbraw/zinc/12/94/41/563129441.db2.gz XKZJGHRUADKFCX-DLTIGGJNSA-N 0 0 465.593 6.621 1 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@@H]1[C@@H]2C=CC[C@@H](C)[C@H]2C(=O)N1Cc1ccccc1 ZINC000036388446 563129453 /nfs/dbraw/zinc/12/94/53/563129453.db2.gz MFBLBMJTQWVGJV-TYGWXDFPSA-N 0 0 465.593 6.477 1 0 JKAFRN COc1ccc(-c2c3cc(-c4ccc(SC)cc4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)cc1 ZINC000036388830 563129647 /nfs/dbraw/zinc/12/96/47/563129647.db2.gz CQYOZWVPYJHTTM-UHFFFAOYSA-N 0 0 495.644 7.927 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(SC)cc4)ccc3n2C)c1 ZINC000036388824 563129653 /nfs/dbraw/zinc/12/96/53/563129653.db2.gz AQJVAJOGNWPXCV-UHFFFAOYSA-N 0 0 471.647 7.980 3 0 JKAFRN COc1cccc(-c2c3cc(-c4cnc(OC)nc4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)c1 ZINC000036388657 563129659 /nfs/dbraw/zinc/12/96/59/563129659.db2.gz DKERSTRZARVOQD-UHFFFAOYSA-N 0 0 481.552 6.004 3 0 JKAFRN COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000036389392 563129834 /nfs/dbraw/zinc/12/98/34/563129834.db2.gz SFBFHDTXFVJLTH-JYFHCDHNSA-N 0 0 482.580 5.339 3 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Br)s1)c1ccnn1-c1ccccc1 ZINC000036411126 563129898 /nfs/dbraw/zinc/12/98/98/563129898.db2.gz IEPSDPQIXVMMEW-IBGZPJMESA-N 0 0 468.442 5.152 1 0 JKAFRN O=C(CCC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000036470980 563130335 /nfs/dbraw/zinc/13/03/35/563130335.db2.gz RCOIEEVFTMWYLS-UHFFFAOYSA-N 0 0 474.648 6.533 1 0 JKAFRN Cc1ccc(Cn2c3cc(Cl)c(Cl)cc3nc2CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000036473800 563130346 /nfs/dbraw/zinc/13/03/46/563130346.db2.gz DLZIDADBBLGRPT-UHFFFAOYSA-N 0 0 464.352 5.539 1 0 JKAFRN CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCO)[C@H](O)C3)CCC[C@]12C ZINC000036479140 563130505 /nfs/dbraw/zinc/13/05/05/563130505.db2.gz PIRFBNFXEQEXIT-PLUNPBJZSA-N 0 0 476.723 5.083 1 0 JKAFRN CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)cc2)ccn1 ZINC000036518249 563130651 /nfs/dbraw/zinc/13/06/51/563130651.db2.gz HOHLGEPKIHZUGO-UHFFFAOYSA-N 0 0 498.587 5.669 1 0 JKAFRN C[C@H](Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(F)cc2)n1)c1ccccc1 ZINC000036761638 563130785 /nfs/dbraw/zinc/13/07/85/563130785.db2.gz VSUIKLZOAFJXHC-KRWDZBQOSA-N 0 0 461.928 6.812 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1ccc(Cl)cc1)c2NC(C)(C)CC(C)(C)C ZINC000037666791 563130892 /nfs/dbraw/zinc/13/08/92/563130892.db2.gz JFYRVTQTSNYOIF-UHFFFAOYSA-N 0 0 490.047 7.809 1 0 JKAFRN COc1cc2c(c(OC)c1OC)CC(c1ccccc1)=C(c1ccccc1)C[C@@H]2NC(=O)C(F)(F)F ZINC000038142338 563131365 /nfs/dbraw/zinc/13/13/65/563131365.db2.gz ZXNYGXJAZWOLRO-QHCPKHFHSA-N 0 0 497.513 5.989 3 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccc(NC(C)=O)cc4)c(=N)c32)c1 ZINC000038142918 563131538 /nfs/dbraw/zinc/13/15/38/563131538.db2.gz FJXOYYUJHJOHGM-SANMLTNESA-N 0 0 488.547 5.758 1 0 JKAFRN O=c1cc(-c2ccc(F)cc2)c2ccc(COc3cc(F)cc([C@@]4(O)C[C@@H]5OC[C@H](C4)O5)c3)cc2o1 ZINC000038143395 563131547 /nfs/dbraw/zinc/13/15/47/563131547.db2.gz QSRZUDVPWIIROS-ZGOJTZKKSA-N 0 0 492.474 5.040 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(Cc4cccs4)c(=N)c32)c1 ZINC000038142936 563131560 /nfs/dbraw/zinc/13/15/60/563131560.db2.gz ZHPMWHKMLRVWFG-QHCPKHFHSA-N 0 0 451.551 5.920 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000038149628 563132084 /nfs/dbraw/zinc/13/20/84/563132084.db2.gz WNWFTAJJMGMWDJ-HXUWFJFHSA-N 0 0 488.472 5.579 1 0 JKAFRN O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1 ZINC000038149750 563132134 /nfs/dbraw/zinc/13/21/34/563132134.db2.gz UBGBTGVLKSVQKG-UHFFFAOYSA-N 0 0 489.000 5.148 1 0 JKAFRN CCC/C=C(\CCC)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000038179259 563133090 /nfs/dbraw/zinc/13/30/90/563133090.db2.gz MHZBDCGUTGSZCH-GSWGVQEBSA-N 0 0 457.458 7.722 1 0 JKAFRN CCC/C=C(\CCC)[C@H](NS(=O)(=O)c1cccc2cccnc21)c1ccc(-c2ccccc2)cc1 ZINC000038179262 563133117 /nfs/dbraw/zinc/13/31/17/563133117.db2.gz MAVAPBZFMXFJKT-RWSNDCQDSA-N 0 0 484.665 7.448 1 0 JKAFRN Cc1cc(C(F)(F)F)cc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000038217416 563133315 /nfs/dbraw/zinc/13/33/15/563133315.db2.gz VWDJSAGLACHSEA-AEFFLSMTSA-N 0 0 470.499 5.192 1 0 JKAFRN OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21 ZINC000038245886 563133582 /nfs/dbraw/zinc/13/35/82/563133582.db2.gz 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CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccc(F)cc1 ZINC000040753690 563147711 /nfs/dbraw/zinc/14/77/11/563147711.db2.gz JBNRZEWVZRXZJD-UHFFFAOYSA-N 0 0 463.596 7.718 1 0 JKAFRN COc1ccc(N2C(=O)O[C@H](COC(=O)Cc3ccccc3)[C@H]2CCCc2ccccc2)cc1 ZINC000040762477 563147811 /nfs/dbraw/zinc/14/78/11/563147811.db2.gz QPQHRFMMWWPJAS-CLJLJLNGSA-N 0 0 459.542 5.198 1 0 JKAFRN COC(=O)[C@@]12CC[C@H]3C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000040764089 563148139 /nfs/dbraw/zinc/14/81/39/563148139.db2.gz QQTTYKDXVIONSQ-MDBMOJILSA-N 0 0 456.711 6.932 1 0 in-vivo JKAFRN COC(=O)[C@@]12CC[C@H]3C(=CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000040764090 563148160 /nfs/dbraw/zinc/14/81/60/563148160.db2.gz QQTTYKDXVIONSQ-BHUZBMKZSA-N 0 0 456.711 6.932 1 0 in-vivo JKAFRN CCCn1c2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2nc1N(C)C ZINC000040764371 563148353 /nfs/dbraw/zinc/14/83/53/563148353.db2.gz RQKILWARSODQOL-UHFFFAOYSA-N 0 0 463.994 5.593 1 0 JKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)c2)cc1 ZINC000040789564 563148590 /nfs/dbraw/zinc/14/85/90/563148590.db2.gz ZGQFMRKGMPUTDW-UHFFFAOYSA-N 0 0 455.581 6.911 1 0 JKAFRN COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccccc2Cl)c2ccc(N(C)C)cc2)n1 ZINC000040822537 563148780 /nfs/dbraw/zinc/14/87/80/563148780.db2.gz LUYRVCMZZIODRL-INIZCTEOSA-N 0 0 454.962 5.013 1 0 JKAFRN CCC[C@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000040818316 563148785 /nfs/dbraw/zinc/14/87/85/563148785.db2.gz JFZVXMDRNLSHKJ-IXYVTWBDSA-N 0 0 476.613 5.302 1 0 JKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(Oc3ccccc3)cc1)n2CCC(C)C ZINC000040835397 563148937 /nfs/dbraw/zinc/14/89/37/563148937.db2.gz DMGGKBSTBHLNPI-UHFFFAOYSA-N 0 0 469.629 6.948 1 0 JKAFRN O=C(c1csc2ccccc12)N([C@H](CO)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040848127 563149508 /nfs/dbraw/zinc/14/95/08/563149508.db2.gz VTZPWCWJBVZCSF-NRFANRHFSA-N 0 0 486.033 5.286 1 0 JKAFRN Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040848271 563149581 /nfs/dbraw/zinc/14/95/81/563149581.db2.gz LDPDIICABMIHHI-SANMLTNESA-N 0 0 452.533 5.788 1 0 JKAFRN COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]1CC(C)(C)C[C@H]2O ZINC000040848284 563149621 /nfs/dbraw/zinc/14/96/21/563149621.db2.gz SKHZDCVXZQISSR-GUMDXBKCSA-N 0 0 484.721 6.501 1 0 JKAFRN O=C(NC1CCCCCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040849072 563149801 /nfs/dbraw/zinc/14/98/01/563149801.db2.gz PZDULVWHOWQPNN-UHFFFAOYSA-N 0 0 462.808 6.952 1 0 JKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(-n1ccnc1)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040860000 563149849 /nfs/dbraw/zinc/14/98/49/563149849.db2.gz NWUCBGDFEQGJTP-WYMLVPIESA-N 0 0 483.516 5.248 1 0 JKAFRN COc1cc(/C=C/c2ccc(NC(=O)CCNP(=O)(OC(C)C)OC(C)C)cc2)cc(OC)c1 ZINC000040860990 563150006 /nfs/dbraw/zinc/15/00/06/563150006.db2.gz MYVNTCSJRGXDHN-BQYQJAHWSA-N 0 0 490.537 5.751 1 0 JKAFRN O=c1cc(-c2ccc(O)cc2)oc2cc(Oc3ccc4oc(-c5ccccc5O)cc(=O)c4c3)ccc12 ZINC000040860988 563150019 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Cc1ccc2nc(-c3ccc(NCC4CCN(S(=O)(=O)c5cccs5)CC4)cc3)sc2c1 ZINC000040864835 563150829 /nfs/dbraw/zinc/15/08/29/563150829.db2.gz YXYSPRPMDBZIND-UHFFFAOYSA-N 0 0 483.684 5.846 1 0 JKAFRN Cc1ncc(NC(=O)c2cc(NC(=O)c3cc(F)cc(C(F)(F)F)c3)ccc2Cl)s1 ZINC000040864783 563150862 /nfs/dbraw/zinc/15/08/62/563150862.db2.gz MWDGNIXIAGIQJY-UHFFFAOYSA-N 0 0 457.836 5.767 1 0 JKAFRN COc1ccc(Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc54)ccc23)cc1 ZINC000040865342 563150905 /nfs/dbraw/zinc/15/09/05/563150905.db2.gz FCOZEUAHNZKOTH-UHFFFAOYSA-N 0 0 456.502 5.683 1 0 JKAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1NCCc1ccccc1 ZINC000040865635 563150925 /nfs/dbraw/zinc/15/09/25/563150925.db2.gz HYKAQTKFCUTTKR-UHFFFAOYSA-N 0 0 458.993 5.775 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccccc5Cl)nn(C)c4c3)c2cc1OC ZINC000040866860 563151232 /nfs/dbraw/zinc/15/12/32/563151232.db2.gz GHCMVQJBDMHMAH-UHFFFAOYSA-N 0 0 488.931 5.837 1 0 JKAFRN COc1ccc([C@@H]2CC(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(OC)cc3O2)cc1OC ZINC000040867169 563151303 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C[C@@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)[C@@H]1CC[C@H](C)[C@@H](O)O1 ZINC000040873908 563151899 /nfs/dbraw/zinc/15/18/99/563151899.db2.gz DRTROQLYCJSMQX-ZORWLORFSA-N 0 0 458.727 6.866 1 0 JKAFRN COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(O)c1C/C=C(\C)CCC=C(C)C)CC2=O ZINC000040874241 563151949 /nfs/dbraw/zinc/15/19/49/563151949.db2.gz KCIUHPNLNSGZBY-CKRLVEJWSA-N 0 0 452.547 6.057 1 0 JKAFRN CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000040875227 563152214 /nfs/dbraw/zinc/15/22/14/563152214.db2.gz SKDYQHGGKFXAGK-GSNHWIIESA-N 0 0 454.739 8.002 1 0 JKAFRN CC(C)(C)c1nc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c(=O)[nH]1 ZINC000040875417 563152233 /nfs/dbraw/zinc/15/22/33/563152233.db2.gz VFVDFPMMYPPLBL-UHFFFAOYSA-N 0 0 458.776 6.910 1 0 JKAFRN O=c1cc(-c2ccccc2)oc2cc(Oc3ccc4oc(-c5ccccc5O)cc(=O)c4c3)ccc12 ZINC000040875995 563152279 /nfs/dbraw/zinc/15/22/79/563152279.db2.gz FUJASGDHTZRONZ-UHFFFAOYSA-N 0 0 474.468 6.731 1 0 JKAFRN CCC(CC)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040875701 563152305 /nfs/dbraw/zinc/15/23/05/563152305.db2.gz CMEHJVWOZNGEMX-UHFFFAOYSA-N 0 0 491.875 8.230 1 0 JKAFRN CCOC(=O)CCc1c(/C=C/c2ccc(OC)c(OC)c2)noc1/C=C/c1ccc(OC)c(OC)c1 ZINC000040879595 563152747 /nfs/dbraw/zinc/15/27/47/563152747.db2.gz UJHGHIAYQUZVLA-INOXDZRUSA-N 0 0 493.556 5.546 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)cc1 ZINC000040879287 563152767 /nfs/dbraw/zinc/15/27/67/563152767.db2.gz LSBUNKBYMQALDO-UHFFFAOYSA-N 0 0 454.317 6.333 1 0 JKAFRN Cc1c(C(=O)NN2C[C@@H]3CCC[C@H]3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000040879101 563152768 /nfs/dbraw/zinc/15/27/68/563152768.db2.gz FQCPRCTUZIOXEU-KBPBESRZSA-N 0 0 495.863 6.246 1 0 JKAFRN CN(C)c1ccc(-c2cc3c4n[nH]c(=O)n4c(C(C)(C)C)nc3nc2-c2ccccc2Cl)cc1 ZINC000040891549 563152982 /nfs/dbraw/zinc/15/29/82/563152982.db2.gz QZKKHODOPRTBNE-UHFFFAOYSA-N 0 0 472.980 5.317 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000040881307 563153030 /nfs/dbraw/zinc/15/30/30/563153030.db2.gz HFQKCJHFUYDQCG-UHFFFAOYSA-N 0 0 499.785 7.400 1 0 JKAFRN CC(C)(O)[C@@H]1CC[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]23C)CCC(=O)C5(C)C)O1 ZINC000040891588 563153091 /nfs/dbraw/zinc/15/30/91/563153091.db2.gz RBRKRLQNZMJOLD-FKCVRMAOSA-N 0 0 472.710 5.674 1 0 JKAFRN Cc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000040891941 563153171 /nfs/dbraw/zinc/15/31/71/563153171.db2.gz XYVHTWJIOGRCQL-UHFFFAOYSA-N 0 0 486.403 5.918 1 0 JKAFRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C)ccc4ccccc43)CC2)c(C)c1 ZINC000040892072 563153249 /nfs/dbraw/zinc/15/32/49/563153249.db2.gz ROTSNRYUSWANPM-UHFFFAOYSA-N 0 0 450.604 5.113 1 0 JKAFRN CN(C)c1ccc(NC(=S)NCCCNc2ccnc3cc(Cl)ccc32)c2ccccc21 ZINC000040892773 563153421 /nfs/dbraw/zinc/15/34/21/563153421.db2.gz SYKOCMHBWUJLSG-UHFFFAOYSA-N 0 0 464.038 5.896 1 0 JKAFRN CN(CCC[N@H+](C)Cc1ccc(C(=O)[O-])cc1)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000040893448 563153504 /nfs/dbraw/zinc/15/35/04/563153504.db2.gz XNEMEIYCTAUEDD-UHFFFAOYSA-N 0 0 496.007 5.223 1 0 JKAFRN CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000040894647 563153698 /nfs/dbraw/zinc/15/36/98/563153698.db2.gz VTAAKAFNMDGRKE-UHFFFAOYSA-N 0 0 499.699 6.724 1 0 JKAFRN CCCc1c2ncnc(NCc3ccc(OC)c(Cl)c3)c2cc(NC(=O)C(F)(F)F)c1OC ZINC000040896828 563154047 /nfs/dbraw/zinc/15/40/47/563154047.db2.gz VENMPUTVGFIXPY-UHFFFAOYSA-N 0 0 482.890 5.366 1 0 JKAFRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@H]2C1(C)C ZINC000040897802 563154159 /nfs/dbraw/zinc/15/41/59/563154159.db2.gz KHNOTTSLMUNERG-FNTGSRHESA-N 0 0 484.765 7.711 1 0 JKAFRN CN1CCCc2ccc(NC(=O)c3ccc(Nc4nc5ccccc5c(-c5ccccc5)n4)cc3)cc21 ZINC000040899416 563154552 /nfs/dbraw/zinc/15/45/52/563154552.db2.gz MHRSJPMSGYSJTM-UHFFFAOYSA-N 0 0 485.591 6.675 1 0 JKAFRN O=C(c1ccc(Cl)cc1Cl)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1=S ZINC000040901296 563154818 /nfs/dbraw/zinc/15/48/18/563154818.db2.gz IQWFFVLFTKYOMB-UHFFFAOYSA-N 0 0 462.185 5.573 1 0 JKAFRN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1sc(Nc2ccc(Cl)cc2)nc1C ZINC000040913372 563154913 /nfs/dbraw/zinc/15/49/13/563154913.db2.gz ZPMGPBSPQDZBKM-UHFFFAOYSA-N 0 0 474.973 6.223 1 0 JKAFRN O=C(NC1CCCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040914964 563155373 /nfs/dbraw/zinc/15/53/73/563155373.db2.gz AQPNOTUHFDEZEY-XMMPIXPASA-N 0 0 494.894 6.786 1 0 JKAFRN CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(C2CCCCC2)n1 ZINC000040915378 563155441 /nfs/dbraw/zinc/15/54/41/563155441.db2.gz PBTICVOUOMVVLI-UHFFFAOYSA-N 0 0 458.606 5.360 1 0 JKAFRN CCCCCCOc1ccc2[nH]c(-c3ccc(OC)cc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040915580 563155480 /nfs/dbraw/zinc/15/54/80/563155480.db2.gz NCLRMFRGCVBZOI-UHFFFAOYSA-N 0 0 497.389 5.565 1 0 JKAFRN COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)cc2oc1=O ZINC000040915937 563155519 /nfs/dbraw/zinc/15/55/19/563155519.db2.gz QPYZDZWUZYOQOG-UHFFFAOYSA-N 0 0 473.403 5.183 1 0 JKAFRN COc1cccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)nn2-c2ccc(C)cc2)c1 ZINC000040915916 563155553 /nfs/dbraw/zinc/15/55/53/563155553.db2.gz UAHNACNOMGLOPA-UHFFFAOYSA-N 0 0 487.003 5.472 1 0 JKAFRN CC(=O)c1ccc(NC(=O)Nc2nc(C)c(C(=O)NCc3ccc(Cl)cc3Cl)s2)cc1 ZINC000040917070 563155814 /nfs/dbraw/zinc/15/58/14/563155814.db2.gz OAJGTBCPSXAGMU-UHFFFAOYSA-N 0 0 477.373 5.535 1 0 JKAFRN COc1cccc(CNc2nc3ccc(Oc4ccnc5cc(OC)c(OC)cc54)cc3s2)c1 ZINC000040917706 563155981 /nfs/dbraw/zinc/15/59/81/563155981.db2.gz GCPPVCWHGSQHNK-UHFFFAOYSA-N 0 0 473.554 6.275 1 0 JKAFRN CCCCCOc1ccc(-c2[nH]c3ccccc3c2C2=C(Br)C(=O)NC2=O)cc1 ZINC000040918195 563156072 /nfs/dbraw/zinc/15/60/72/563156072.db2.gz PSTJOSCSDMWNTK-UHFFFAOYSA-N 0 0 453.336 5.166 1 0 JKAFRN Fc1ccc(Cn2c3ccccc3nc2N2CCN(c3ccnc4cc(Cl)ccc43)CC2)cc1 ZINC000040918146 563156078 /nfs/dbraw/zinc/15/60/78/563156078.db2.gz YUXTWNOTAQMGDN-UHFFFAOYSA-N 0 0 471.967 5.752 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918325 563156162 /nfs/dbraw/zinc/15/61/62/563156162.db2.gz GVAOERBBFZOELB-UHFFFAOYSA-N 0 0 454.574 5.414 1 0 JKAFRN CCSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCCC3=Cc1ccc(Cl)cc1 ZINC000040918295 563156205 /nfs/dbraw/zinc/15/62/05/563156205.db2.gz SBWGOXNQRGPAMC-VKAVYKQESA-N 0 0 494.447 7.281 1 0 JKAFRN COc1ccc([C@H]2[C@@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040918857 563156463 /nfs/dbraw/zinc/15/64/63/563156463.db2.gz CXTJWICMIXVYAB-BWBYRYSHSA-N 0 0 497.595 5.220 1 0 JKAFRN O=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccccc1F ZINC000040919290 563156635 /nfs/dbraw/zinc/15/66/35/563156635.db2.gz GXBHQIVODVYSBM-UHFFFAOYSA-N 0 0 489.765 6.028 1 0 JKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)C2CCCCC2)c1 ZINC000040933252 563156818 /nfs/dbraw/zinc/15/68/18/563156818.db2.gz MEKDXEZSIOAKHN-GOSISDBHSA-N 0 0 468.642 6.500 1 0 JKAFRN CSc1nc(-c2ccnc(NC[C@H](C)c3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040933563 563156852 /nfs/dbraw/zinc/15/68/52/563156852.db2.gz BYIAYENVBGBGEU-INIZCTEOSA-N 0 0 468.548 7.095 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(OC)ccc1-c1ccccc1 ZINC000040933656 563156928 /nfs/dbraw/zinc/15/69/28/563156928.db2.gz NNLBMSQVKKQKCE-HHHXNRCGSA-N 0 0 492.663 8.047 1 0 JKAFRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000040933637 563156944 /nfs/dbraw/zinc/15/69/44/563156944.db2.gz SZLOJPBRQXHOLB-RUZDIDTESA-N 0 0 487.600 5.102 1 0 JKAFRN CCOC(=O)c1cn(CC)c2c(cc(F)c(Sc3ccccc3)c2Sc2ccccc2)c1=O ZINC000040933966 563157065 /nfs/dbraw/zinc/15/70/65/563157065.db2.gz QDSRBCXONGZNKI-UHFFFAOYSA-N 0 0 479.598 6.640 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(-c2ccccc2)ccc1C ZINC000040934077 563157184 /nfs/dbraw/zinc/15/71/84/563157184.db2.gz JXDQPXYLQYYEJS-MHZLTWQESA-N 0 0 476.664 8.347 1 0 JKAFRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 ZINC000040934103 563157238 /nfs/dbraw/zinc/15/72/38/563157238.db2.gz UQCXFCLQZQXAFO-DEOSSOPVSA-N 0 0 469.541 5.909 1 0 JKAFRN Cc1sc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 ZINC000040934100 563157248 /nfs/dbraw/zinc/15/72/48/563157248.db2.gz RQTHPFWQOJVNOJ-UHFFFAOYSA-N 0 0 452.539 5.198 1 0 JKAFRN O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 ZINC000040934105 563157264 /nfs/dbraw/zinc/15/72/64/563157264.db2.gz UGEPDKKVEJHVMJ-QHCPKHFHSA-N 0 0 455.514 5.519 1 0 JKAFRN C[C@H](Nc1nccc(-c2ncn(Cc3cccc(C(N)=O)c3)c2-c2ccc(F)cc2)n1)c1ccccc1 ZINC000040934151 563157267 /nfs/dbraw/zinc/15/72/67/563157267.db2.gz YIUIGDBPPMTYQK-IBGZPJMESA-N 0 0 492.558 5.467 1 0 JKAFRN C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1)c1ccccc1 ZINC000040934314 563157425 /nfs/dbraw/zinc/15/74/25/563157425.db2.gz OBKVKNYLHZJZPY-IBGZPJMESA-N 0 0 492.558 5.467 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(Cl)ccc1CO ZINC000040935372 563157724 /nfs/dbraw/zinc/15/77/24/563157724.db2.gz QRJFMMLTZQRALW-NRFANRHFSA-N 0 0 451.010 6.517 1 0 JKAFRN O=C([O-])c1ccc(C[NH2+]C2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040935621 563157814 /nfs/dbraw/zinc/15/78/14/563157814.db2.gz ZBVWVLFEKWYQPW-UHFFFAOYSA-N 0 0 483.568 6.345 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cc(OC)ccc1Cl ZINC000040936269 563157975 /nfs/dbraw/zinc/15/79/75/563157975.db2.gz OCFYSUBUVGRBOV-XMMPIXPASA-N 0 0 465.037 7.058 1 0 JKAFRN Cc1cc(C2=N[C@H](c3ccc(Cl)cc3F)C(C(=O)Nc3cc4c[nH]nc4cc3F)=C(C)N2)ccn1 ZINC000040936813 563158092 /nfs/dbraw/zinc/15/80/92/563158092.db2.gz JPOJPLNOODEZLH-HSZRJFAPSA-N 0 0 492.917 5.202 1 0 JKAFRN COc1cc(Nc2cncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)n2)cc(OC)c1OC ZINC000040937316 563158212 /nfs/dbraw/zinc/15/82/12/563158212.db2.gz IGQDHCBOWJMFJV-UHFFFAOYSA-N 0 0 471.517 5.557 1 0 JKAFRN CCCCNC(=O)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)c1ccccc1S2 ZINC000040937440 563158331 /nfs/dbraw/zinc/15/83/31/563158331.db2.gz ZEXNATVNEZMLSJ-UHFFFAOYSA-N 0 0 455.410 7.157 1 0 JKAFRN Cc1c(C(=O)NCNC(=O)C(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040937432 563158339 /nfs/dbraw/zinc/15/83/39/563158339.db2.gz UGMCZCICTMWOQF-UHFFFAOYSA-N 0 0 479.795 5.267 1 0 JKAFRN c1cc(CSc2nc3cc(-c4ccc5[nH]c(SCc6ccncc6)nc5c4)ccc3[nH]2)ccn1 ZINC000040937723 563158374 /nfs/dbraw/zinc/15/83/74/563158374.db2.gz SWLMBUWFPXTQDB-UHFFFAOYSA-N 0 0 480.622 6.481 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000040939212 563158607 /nfs/dbraw/zinc/15/86/07/563158607.db2.gz FTKSARPSZIWGGJ-GRKNLSHJSA-N 0 0 478.567 6.288 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000040943261 563159059 /nfs/dbraw/zinc/15/90/59/563159059.db2.gz XZFZUTOJLNNKMT-GGXMVOPNSA-N 0 0 450.538 5.742 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000040943680 563159114 /nfs/dbraw/zinc/15/91/14/563159114.db2.gz BTMPXYYKXKTXNN-GRKNLSHJSA-N 0 0 495.022 6.802 1 0 JKAFRN Clc1ccc(-c2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(Cl)c1 ZINC000040943407 563159128 /nfs/dbraw/zinc/15/91/28/563159128.db2.gz IRNRSEAEXMWUSW-UHFFFAOYSA-N 0 0 453.354 6.406 1 0 JKAFRN C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040949637 563159233 /nfs/dbraw/zinc/15/92/33/563159233.db2.gz FLQPTDVBDVSSED-FDDCHVKYSA-N 0 0 464.585 5.285 1 0 JKAFRN CSc1ccc(Cc2nnc3sc(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nn23)cc1 ZINC000040949961 563159346 /nfs/dbraw/zinc/15/93/46/563159346.db2.gz MJVXBVUOQWVUQJ-UHFFFAOYSA-N 0 0 473.410 6.732 1 0 JKAFRN Cc1c(C(=O)NCCOc2ccc3ccccc3c2)cnc2c(-c3ccc(C(C)C)cc3)cnn21 ZINC000040950752 563159468 /nfs/dbraw/zinc/15/94/68/563159468.db2.gz LBSWFPNOCAZHJX-UHFFFAOYSA-N 0 0 464.569 5.790 1 0 JKAFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCCO)c1 ZINC000040950641 563159481 /nfs/dbraw/zinc/15/94/81/563159481.db2.gz HSKLTESOTQDSLW-UHFFFAOYSA-N 0 0 477.730 7.029 1 0 JKAFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCC(=O)NCCO)c1 ZINC000040951618 563159672 /nfs/dbraw/zinc/15/96/72/563159672.db2.gz DIPPSSKVWIDVDP-UHFFFAOYSA-N 0 0 463.703 6.638 1 0 JKAFRN C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1C(=O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000040952020 563159749 /nfs/dbraw/zinc/15/97/49/563159749.db2.gz WSXQARIPUUPLGE-KJJXQRPISA-N 0 0 456.711 7.157 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccccc2Br)cc1-c1ccccc1 ZINC000040952522 563159901 /nfs/dbraw/zinc/15/99/01/563159901.db2.gz UTIXQJRLXYLXMZ-UHFFFAOYSA-N 0 0 476.374 5.760 1 0 JKAFRN Clc1cccc([C@H]2CC(c3ccccc3)=NN2c2nc3nc4ccccc4nc3s2)c1Cl ZINC000040952451 563159992 /nfs/dbraw/zinc/15/99/92/563159992.db2.gz HEIGQLFKCFRMQE-HXUWFJFHSA-N 0 0 476.392 6.902 1 0 JKAFRN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2c1CCN(Cc1ccnc3ccccc13)C2=O ZINC000040953131 563160194 /nfs/dbraw/zinc/16/01/94/563160194.db2.gz FKBDRNXYZLXBMD-UHFFFAOYSA-N 0 0 475.470 5.704 1 0 JKAFRN O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953365 563160224 /nfs/dbraw/zinc/16/02/24/563160224.db2.gz WYKCCSXOXYAHPV-LJQANCHMSA-N 0 0 483.984 6.176 1 0 JKAFRN Cc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)c(C)s1 ZINC000040953636 563160255 /nfs/dbraw/zinc/16/02/55/563160255.db2.gz UPLCTRLTSHQOLU-UHFFFAOYSA-N 0 0 459.663 5.923 1 0 JKAFRN CCCCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)cn1C ZINC000040953597 563160260 /nfs/dbraw/zinc/16/02/60/563160260.db2.gz MRHGJGGFRGCDPE-UHFFFAOYSA-N 0 0 484.692 5.926 1 0 JKAFRN O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1)c1c(-c3ccccc3)nn(-c3ccccc3)c1N2 ZINC000040953367 563160264 /nfs/dbraw/zinc/16/02/64/563160264.db2.gz WYKCCSXOXYAHPV-IBGZPJMESA-N 0 0 483.984 6.176 1 0 JKAFRN Nc1cccc2c(Oc3cccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12 ZINC000040955013 563160644 /nfs/dbraw/zinc/16/06/44/563160644.db2.gz IWIZYPKADODCFJ-UHFFFAOYSA-N 0 0 472.854 6.926 1 0 JKAFRN CCCn1cnc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)c1C ZINC000040955427 563160716 /nfs/dbraw/zinc/16/07/16/563160716.db2.gz ZYCWQNVKHFOQLR-UHFFFAOYSA-N 0 0 470.665 5.765 1 0 JKAFRN O=C(O[C@@H]1CCC[C@H]2CCCC[C@H]21)c1cc(CO)cc(C(=O)O[C@@H]2CCC[C@@H]3CCCC[C@H]23)c1 ZINC000040956833 563161001 /nfs/dbraw/zinc/16/10/01/563161001.db2.gz YVGUBLNADARCND-NFHYCDCCSA-N 0 0 468.634 6.210 1 0 JKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCCCCC)cc3)C[C@@]21C ZINC000040972531 563161347 /nfs/dbraw/zinc/16/13/47/563161347.db2.gz UHRDSPGREWBOFB-FMHBTXFXSA-N 0 0 499.739 7.357 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccc(C(C)(C)C)cc2)cc1-c1ccccc1 ZINC000040972736 563161394 /nfs/dbraw/zinc/16/13/94/563161394.db2.gz BREMWIJMXMDFFX-UHFFFAOYSA-N 0 0 453.586 6.295 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(-n3cccc3)cc21 ZINC000040973025 563161426 /nfs/dbraw/zinc/16/14/26/563161426.db2.gz LJZWNBNYKQADKV-UHFFFAOYSA-N 0 0 475.608 5.820 1 0 JKAFRN c1sc2nc(-c3ccc(OCc4ccccc4)cc3)nn2c1-c1ccc(OCc2ccccc2)cc1 ZINC000040973612 563161613 /nfs/dbraw/zinc/16/16/13/563161613.db2.gz HTAUKGYPEATILA-UHFFFAOYSA-N 0 0 489.600 7.283 1 0 JKAFRN COc1c(Br)cc(Br)cc1[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000040973931 563161692 /nfs/dbraw/zinc/16/16/92/563161692.db2.gz YHHOHGTZOHIWTR-AWEZNQCLSA-N 0 0 497.130 6.025 1 0 JKAFRN CCC/C=C(\CCC)[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc(C(=O)OC)cc1 ZINC000040975157 563161835 /nfs/dbraw/zinc/16/18/35/563161835.db2.gz OCQHIVAEBUMRPA-IHSQGBLNSA-N 0 0 450.000 5.673 1 0 JKAFRN O=C(Nc1cc(C(F)(F)F)ccc1F)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)c2ccccc12 ZINC000040975764 563161938 /nfs/dbraw/zinc/16/19/38/563161938.db2.gz QPLXVJKTTPASAP-UHFFFAOYSA-N 0 0 497.408 5.999 1 0 JKAFRN Cc1c(C2=NC(=O)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040976026 563162020 /nfs/dbraw/zinc/16/20/20/563162020.db2.gz YYOQFOPFAQBTMX-UHFFFAOYSA-N 0 0 461.780 5.805 1 0 JKAFRN Cn1c(-c2ccc(-n3ccnc3C(F)(F)F)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000040976157 563162022 /nfs/dbraw/zinc/16/20/22/563162022.db2.gz IUBGICNCLXPBGO-UHFFFAOYSA-N 0 0 492.332 6.463 1 0 JKAFRN O=C(CCCCCCc1ccccc1)c1nc(-c2cccc(I)n2)no1 ZINC000040979516 563162353 /nfs/dbraw/zinc/16/23/53/563162353.db2.gz NRLHNLPAWVGHHY-UHFFFAOYSA-N 0 0 461.303 5.112 1 0 JKAFRN CCCc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000042887517 563163278 /nfs/dbraw/zinc/16/32/78/563163278.db2.gz MVHCFYIGMWGABO-UHFFFAOYSA-N 0 0 489.834 7.800 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000042887913 563163279 /nfs/dbraw/zinc/16/32/79/563163279.db2.gz FOWRQJBPBDHQLM-DEOSSOPVSA-N 0 0 494.894 6.644 1 0 JKAFRN Cc1c(-c2nnc(Cc3ccccc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000042888787 563163395 /nfs/dbraw/zinc/16/33/95/563163395.db2.gz FYKVMCCSKWMERC-UHFFFAOYSA-N 0 0 495.797 7.449 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000042923131 563163780 /nfs/dbraw/zinc/16/37/80/563163780.db2.gz QOSVXCGYSOHDAF-QHCPKHFHSA-N 0 0 480.867 6.396 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)c1c(Nc2ccccc2)nn2ccc(-c3ccc4ccccc4c3)nc12 ZINC000043010891 563164084 /nfs/dbraw/zinc/16/40/84/563164084.db2.gz MEALIOWENGIKAE-UHFFFAOYSA-N 0 0 489.966 7.199 1 0 JKAFRN O=C(c1cc2ccccc2s1)N1CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1 ZINC000043011942 563164218 /nfs/dbraw/zinc/16/42/18/563164218.db2.gz ROYNSRXQTNXWFN-HSZRJFAPSA-N 0 0 475.013 5.651 1 0 JKAFRN C[C@H](C(=O)N(CCc1ccc(O)cc1)CCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000043012873 563164233 /nfs/dbraw/zinc/16/42/33/563164233.db2.gz RDCGSVKRGOJGBT-QHCPKHFHSA-N 0 0 493.603 5.746 1 0 JKAFRN Cc1ccc(NC(=O)CSc2nccn2-c2cccc3ccccc32)c(Br)c1 ZINC000043012820 563164277 /nfs/dbraw/zinc/16/42/77/563164277.db2.gz HCZXAVPDBQPDIE-UHFFFAOYSA-N 0 0 452.377 5.827 1 0 JKAFRN Clc1nccc2c1-c1[nH]c3ccc(Br)cc3c1CCN2CCc1c[nH]c2ccccc12 ZINC000043013141 563164287 /nfs/dbraw/zinc/16/42/87/563164287.db2.gz BMXVTPILCBBLAF-UHFFFAOYSA-N 0 0 491.820 6.732 1 0 JKAFRN O=C(NC(=S)N1CCc2c1cccc2OCCCCCOc1ccc(Cl)cc1)c1ccco1 ZINC000043014704 563164456 /nfs/dbraw/zinc/16/44/56/563164456.db2.gz BZAZWTDNQURFHY-UHFFFAOYSA-N 0 0 485.005 5.639 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)c1 ZINC000043015947 563164575 /nfs/dbraw/zinc/16/45/75/563164575.db2.gz LNEZCTJJIDDWKC-UHFFFAOYSA-N 0 0 468.435 5.153 1 0 JKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccc(I)cc1 ZINC000043017704 563164729 /nfs/dbraw/zinc/16/47/29/563164729.db2.gz FABNNBVOJAHLFU-HZJYTTRNSA-N 0 0 495.489 7.721 1 0 JKAFRN COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O ZINC000043019920 563164875 /nfs/dbraw/zinc/16/48/75/563164875.db2.gz DYIVSGDVNIYLSL-LBPRGKRZSA-N 0 0 456.679 5.563 1 0 JKAFRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000043019870 563164897 /nfs/dbraw/zinc/16/48/97/563164897.db2.gz YMIDXJULAABDAH-JOCHJYFZSA-N 0 0 477.973 5.960 1 0 JKAFRN CCN(CC)c1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OCCO ZINC000043022486 563165093 /nfs/dbraw/zinc/16/50/93/563165093.db2.gz DAVFKHKXIXGDTA-UHFFFAOYSA-N 0 0 493.551 5.222 1 0 JKAFRN CC(C)=CCc1c2c(c3c(c1O)OC(C)(C)C=C3)O[C@H]1c3cc4c(cc3OC[C@@H]21)OC(C)(C)C=C4 ZINC000043022298 563165101 /nfs/dbraw/zinc/16/51/01/563165101.db2.gz NTMZAWZAUXOLLI-LVXARBLLSA-N 0 0 472.581 6.879 1 0 JKAFRN C[C@H](Nc1cc(C2CCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043059746 563165627 /nfs/dbraw/zinc/16/56/27/563165627.db2.gz SJNGWXSQPGKAAP-GAJHUEQPSA-N 0 0 484.869 7.377 1 0 JKAFRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccco2)s1 ZINC000043061166 563165711 /nfs/dbraw/zinc/16/57/11/563165711.db2.gz FAQQXNGIELLPJC-XEIPEAKMSA-N 0 0 499.452 5.857 1 0 JKAFRN O=C(NN1CCCCC1)c1cc(-c2ccc(C3CC3)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000043060795 563165720 /nfs/dbraw/zinc/16/57/20/563165720.db2.gz BGVFLXMEMBTJLQ-UHFFFAOYSA-N 0 0 455.389 5.854 1 0 JKAFRN Clc1ccc(C[C@H](CNc2cc(NC3CCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043061769 563165788 /nfs/dbraw/zinc/16/57/88/563165788.db2.gz FMPLBYOVGRLLFT-LJQANCHMSA-N 0 0 485.857 6.685 1 0 JKAFRN COc1ccc(-c2nc3c(Br)cc(Br)cn3c2NC2CCCC2)cc1O ZINC000043063753 563165900 /nfs/dbraw/zinc/16/59/00/563165900.db2.gz IRYMELBIMMPQRF-UHFFFAOYSA-N 0 0 481.188 5.595 1 0 JKAFRN CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043064993 563165977 /nfs/dbraw/zinc/16/59/77/563165977.db2.gz WFJFNLUJCRIUNK-HTAPYJJXSA-N 0 0 487.873 6.931 1 0 JKAFRN CCCCc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043074435 563166643 /nfs/dbraw/zinc/16/66/43/563166643.db2.gz JHLBTPQJHDDJIR-GAJHUEQPSA-N 0 0 472.858 7.062 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(C)cc3)c2cc1OCCCSc1nc2ccccc2s1 ZINC000043079661 563167017 /nfs/dbraw/zinc/16/70/17/563167017.db2.gz IJLVJJDRXHNELU-UHFFFAOYSA-N 0 0 488.638 6.861 1 0 JKAFRN CC(C)=CCc1cc([C@H]2Oc3c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c3C(=O)[C@@H]2O)ccc1O ZINC000043118139 563167189 /nfs/dbraw/zinc/16/71/89/563167189.db2.gz HPUMCKZHBQPWBN-URLMMPGGSA-N 0 0 492.612 6.007 1 0 in-vitro JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000043120107 563167378 /nfs/dbraw/zinc/16/73/78/563167378.db2.gz FIYJRDXUBRXNNM-UHFFFAOYSA-N 0 0 469.423 5.236 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCC3)c1 ZINC000043122385 563167623 /nfs/dbraw/zinc/16/76/23/563167623.db2.gz NNRUHRCMXVRSMN-QFQXNSOFSA-N 0 0 472.633 5.137 1 0 JKAFRN CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000043200657 563168478 /nfs/dbraw/zinc/16/84/78/563168478.db2.gz YFDBMIHFHLSZBY-HDBHPBSHSA-N 0 0 484.765 7.999 1 0 JKAFRN Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)OCc1ccc(OC2CCCC2)nc1 ZINC000043202427 563168601 /nfs/dbraw/zinc/16/86/01/563168601.db2.gz RCRIKUQWNCZJIN-UHFFFAOYSA-N 0 0 462.333 6.422 1 0 JKAFRN CC(C)Cc1nc2c(cccc2C(F)(F)F)n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000043206278 563168757 /nfs/dbraw/zinc/16/87/57/563168757.db2.gz GBEWPJJHRRWGJD-UHFFFAOYSA-N 0 0 488.531 6.439 1 0 JKAFRN CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@@H](O)[C@H]1O ZINC000043422553 563169873 /nfs/dbraw/zinc/16/98/73/563169873.db2.gz CDDWAYFUFNQLRZ-DAAYBTDDSA-N 0 0 474.726 5.083 1 0 JKAFRN CO[C@@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C ZINC000043411936 563169893 /nfs/dbraw/zinc/16/98/93/563169893.db2.gz BTHGFDSZBCOKOR-HHNNRJLVSA-N 0 0 488.753 5.737 1 0 JKAFRN CO[C@@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C ZINC000043411940 563169895 /nfs/dbraw/zinc/16/98/95/563169895.db2.gz BTHGFDSZBCOKOR-BZXTXHKHSA-N 0 0 488.753 5.737 1 0 JKAFRN CC(C)C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000043532155 563170294 /nfs/dbraw/zinc/17/02/94/563170294.db2.gz SXXPNPQQXIGAHY-JWXZHISWSA-N 0 0 490.640 5.548 1 0 JKAFRN 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ZINC000049112439 563202491 /nfs/dbraw/zinc/20/24/91/563202491.db2.gz HGGQMMOPRXXORD-DCJXEWPGSA-N 0 0 499.035 8.018 1 0 JKAFRN O=c1c2ccccc2nc(-c2cc(-c3ccncc3)c(N3CCOCC3)s2)n1-c1ccccc1 ZINC000049112441 563202497 /nfs/dbraw/zinc/20/24/97/563202497.db2.gz QJQLMIGGRSPOMT-UHFFFAOYSA-N 0 0 466.566 5.013 1 0 JKAFRN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccccc1 ZINC000049112758 563202540 /nfs/dbraw/zinc/20/25/40/563202540.db2.gz ZRMAEYLZFAEYSD-UHFFFAOYSA-N 0 0 474.520 5.031 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3O[C@@H]2c2ccccc2O)cc1 ZINC000049113048 563202548 /nfs/dbraw/zinc/20/25/48/563202548.db2.gz URUHGRQDPXGNNS-DCJXEWPGSA-N 0 0 464.521 6.357 1 0 JKAFRN COc1ccc(C(OCCc2c(C)nc(OC)nc2OC)(c2ccccc2)c2ccccc2)cc1 ZINC000049114474 563202748 /nfs/dbraw/zinc/20/27/48/563202748.db2.gz HSMCCBJDKSXNMK-UHFFFAOYSA-N 0 0 470.569 5.362 1 0 JKAFRN Oc1ccc(C2=Nc3ccccc3O[C@H](c3ccccc3Cl)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049116469 563202925 /nfs/dbraw/zinc/20/29/25/563202925.db2.gz 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563204353 /nfs/dbraw/zinc/20/43/53/563204353.db2.gz ACGZWYKXRRYARK-UHFFFAOYSA-N 0 0 463.622 5.528 1 0 JKAFRN Cc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000049808584 563204369 /nfs/dbraw/zinc/20/43/69/563204369.db2.gz ROKJCAHZNWTYFM-UHFFFAOYSA-N 0 0 463.968 7.420 1 0 JKAFRN CN(C)C(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cc1)Cc1ccc(-c2cccs2)cc1 ZINC000049808589 563204374 /nfs/dbraw/zinc/20/43/74/563204374.db2.gz SZDCUZDOJROARP-UHFFFAOYSA-N 0 0 484.625 5.933 1 0 JKAFRN Nc1nc(-c2ccccc2)cc(-c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)n1 ZINC000049816855 563204384 /nfs/dbraw/zinc/20/43/84/563204384.db2.gz OLMJKEBWWCVPFR-UHFFFAOYSA-N 0 0 455.901 5.732 1 0 JKAFRN CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000049872042 563204422 /nfs/dbraw/zinc/20/44/22/563204422.db2.gz GDNMTUAJVKFDCM-FWKALQMESA-N 0 0 460.743 6.621 1 0 endogenous,in-man JKAFRN COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56CO[C@@](O)(CC[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H]6C ZINC000049872290 563204475 /nfs/dbraw/zinc/20/44/75/563204475.db2.gz UZFRCCHTCLKPLT-ZCLXEWIESA-N 0 0 486.737 6.740 1 0 JKAFRN CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C ZINC000049881712 563204606 /nfs/dbraw/zinc/20/46/06/563204606.db2.gz NDOKWZQNNLRVLS-RRAGNSSVSA-N 0 0 460.699 5.001 1 0 JKAFRN CO[C@@H]1O[C@]23C=C[C@H]4[C@]5(C)CC[C@H]([C@H](C)C/C=C/C(C)(C)O)[C@@]5(C)CC[C@]14[C@@H]2CC[C@H](O)C3(C)C ZINC000049949653 563204738 /nfs/dbraw/zinc/20/47/38/563204738.db2.gz LZKVXEZYUAJCDF-DPMLMZFUSA-N 0 0 486.737 6.267 1 0 JKAFRN Cc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000052971879 563204883 /nfs/dbraw/zinc/20/48/83/563204883.db2.gz RQGATCKDMKOCAI-RUZDIDTESA-N 0 0 493.047 5.026 1 0 JKAFRN Cc1ccccc1N1CCN(C[C@H](O)COc2ccccc2C(=O)CCc2ccc(Cl)cc2)CC1 ZINC000052971875 563204912 /nfs/dbraw/zinc/20/49/12/563204912.db2.gz RQGATCKDMKOCAI-VWLOTQADSA-N 0 0 493.047 5.026 1 0 JKAFRN c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(N2CCCCC2)c(-c2ccccc2)c1 ZINC000053182641 563205118 /nfs/dbraw/zinc/20/51/18/563205118.db2.gz MCUYCFPQKXLFFS-UHFFFAOYSA-N 0 0 498.674 7.868 1 0 JKAFRN COC(=O)c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2OC)cc1 ZINC000053243701 563205395 /nfs/dbraw/zinc/20/53/95/563205395.db2.gz OAUUDRJLVWNJBA-IWIPYMOSSA-N 0 0 489.549 5.297 1 0 JKAFRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)ccc1OCc1ccccc1 ZINC000053243988 563205419 /nfs/dbraw/zinc/20/54/19/563205419.db2.gz SHAHYKLGDXPOHQ-ONUIUJJFSA-N 0 0 487.621 6.808 1 0 JKAFRN COC(=O)CC(=O)N(N=Nc1cc(C(F)(F)F)ccc1C#N)c1cc(C(F)(F)F)ccc1C#N ZINC000053275176 563205481 /nfs/dbraw/zinc/20/54/81/563205481.db2.gz WWUHPAYVBRAXGE-UHFFFAOYSA-N 0 0 483.328 5.063 1 0 JKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2cc(-c3cccc(C(F)(F)F)c3)oc21 ZINC000053294763 563205598 /nfs/dbraw/zinc/20/55/98/563205598.db2.gz VKPRDKFASUKURC-UHFFFAOYSA-N 0 0 480.364 7.661 1 0 JKAFRN O[C@H]1CCc2cccc(Nc3nc(Br)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053296483 563205677 /nfs/dbraw/zinc/20/56/77/563205677.db2.gz UNUKLCQFLQMDAD-AWEZNQCLSA-N 0 0 453.258 5.716 1 0 JKAFRN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1 ZINC000053296925 563205698 /nfs/dbraw/zinc/20/56/98/563205698.db2.gz CHIRQGSMASSQAS-AREMUKBSSA-N 0 0 470.960 5.899 1 0 JKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccc2cc(-c3ccccc3C(F)(F)F)oc21 ZINC000053297020 563205710 /nfs/dbraw/zinc/20/57/10/563205710.db2.gz PAUCPJHDYWRVOI-UHFFFAOYSA-N 0 0 480.364 7.661 1 0 JKAFRN Cc1nc(Nc2nccn2-c2cccc(C(F)(F)F)c2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000053312634 563205787 /nfs/dbraw/zinc/20/57/87/563205787.db2.gz GCDKCXCHYAQLRU-UHFFFAOYSA-N 0 0 494.399 6.375 1 0 JKAFRN C=CC(=O)Nc1ccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c32)cc1 ZINC000053312761 563205837 /nfs/dbraw/zinc/20/58/37/563205837.db2.gz NKJLYFQDEGKIAY-HSZRJFAPSA-N 0 0 476.536 5.827 1 0 JKAFRN O=S(=O)(c1cc(Cl)sc1Cl)N(SC(Cl)(Cl)Cl)c1ccccc1 ZINC000053313280 563205870 /nfs/dbraw/zinc/20/58/70/563205870.db2.gz HDXMFWFQILLHAE-UHFFFAOYSA-N 0 0 457.640 6.226 1 0 JKAFRN NC(=S)N1N=C(c2ccc(Br)c(Br)c2)C[C@@H]1c1ccccc1Cl ZINC000053313891 563205871 /nfs/dbraw/zinc/20/58/71/563205871.db2.gz VLOZVSNKEBEMBK-OAHLLOKOSA-N 0 0 473.621 5.260 1 0 JKAFRN O[C@@H]1CCc2cccc(Nc3nc(-c4ccc(F)cc4)c(-c4ccc(C(F)(F)F)cc4)o3)c2C1 ZINC000053314868 563205894 /nfs/dbraw/zinc/20/58/94/563205894.db2.gz ILPRVNDOZVRMRI-HXUWFJFHSA-N 0 0 468.450 6.760 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)n3C)cc2)s1 ZINC000058506192 563206715 /nfs/dbraw/zinc/20/67/15/563206715.db2.gz QATDFVJJVTZKOU-UHFFFAOYSA-N 0 0 497.649 6.312 1 0 JKAFRN O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3[C@H]2C1)c1ccc2ccccc2c1 ZINC000058509423 563206803 /nfs/dbraw/zinc/20/68/03/563206803.db2.gz RWDSDWDANDUVKH-WJOKGBTCSA-N 0 0 475.636 5.818 1 0 JKAFRN COC(=O)C1C(Nc2ccccc2)=C[C@H](c2ccc(F)cc2)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000058536327 563206918 /nfs/dbraw/zinc/20/69/18/563206918.db2.gz BNLHFMDPRSHOTB-DGPALRBDSA-N 0 0 496.557 7.197 1 0 JKAFRN CNc1cnc2c(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)ccnc2n1 ZINC000058538213 563206985 /nfs/dbraw/zinc/20/69/85/563206985.db2.gz UDNXYKVDZJLJST-UHFFFAOYSA-N 0 0 490.392 5.800 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3n[nH]nc32)cc1F)Nc1cc(C(F)(F)F)ccc1F ZINC000058538414 563207024 /nfs/dbraw/zinc/20/70/24/563207024.db2.gz OISATMRLNGVODY-UHFFFAOYSA-N 0 0 450.327 5.086 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)cnc23)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058538421 563207041 /nfs/dbraw/zinc/20/70/41/563207041.db2.gz WVZQOIFRERLBHI-UHFFFAOYSA-N 0 0 475.814 5.378 1 0 JKAFRN Cc1c(C(=O)N(C)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1C ZINC000058538465 563207054 /nfs/dbraw/zinc/20/70/54/563207054.db2.gz XEIRMWXVTBJAKS-UHFFFAOYSA-N 0 0 499.486 5.592 1 0 JKAFRN O=C(Nc1cccc(Oc2ccnc3ncc(=O)[nH]c32)c1)Nc1cc(C(F)(F)F)ccc1F ZINC000058563664 563207349 /nfs/dbraw/zinc/20/73/49/563207349.db2.gz LBCDYFSIUNWVSH-UHFFFAOYSA-N 0 0 459.359 5.325 1 0 JKAFRN Cc1ccc([C@@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000058556928 563207354 /nfs/dbraw/zinc/20/73/54/563207354.db2.gz KMNOSTLBPLPSEO-VXBCSTRESA-N 0 0 465.597 5.819 1 0 JKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(OCCN2CCOCC2)c2ccccc12 ZINC000058563988 563207431 /nfs/dbraw/zinc/20/74/31/563207431.db2.gz IKJIRGXOQLNWKM-UHFFFAOYSA-N 0 0 493.913 5.867 1 0 JKAFRN Cc1c(C(=O)NCCCN2CCN(c3ccc(Cl)cc3Cl)CC2)cc(-c2ccccc2)n1C ZINC000058568362 563207441 /nfs/dbraw/zinc/20/74/41/563207441.db2.gz PDPOBDGYEBMUHX-UHFFFAOYSA-N 0 0 485.459 5.249 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(/C=C/c3ccccc3)ccc21 ZINC000058568750 563207460 /nfs/dbraw/zinc/20/74/60/563207460.db2.gz DWXOHINHQVCIGG-ZHACJKMWSA-N 0 0 494.679 7.061 1 0 JKAFRN CC(C)C(=O)c1cc([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)c[nH]1 ZINC000058569127 563207504 /nfs/dbraw/zinc/20/75/04/563207504.db2.gz OYZKNOGIJLFQSF-IMJUUJEHSA-N 0 0 451.695 7.287 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CCc3ccccc3)ccc21 ZINC000058581290 563207767 /nfs/dbraw/zinc/20/77/67/563207767.db2.gz OQBYHQSUGBQEEC-UHFFFAOYSA-N 0 0 496.695 6.676 1 0 JKAFRN CC(C)N(c1cccc(I)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000058583491 563207956 /nfs/dbraw/zinc/20/79/56/563207956.db2.gz AVUIJNUTZMHLIA-UHFFFAOYSA-N 0 0 451.329 5.048 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(CCC(C)(C)C)ccc21 ZINC000058590568 563208093 /nfs/dbraw/zinc/20/80/93/563208093.db2.gz DQIFQWRDUQMYSY-UHFFFAOYSA-N 0 0 476.705 6.869 1 0 JKAFRN Cc1nc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)n(Cc2ccc(Cl)cc2)n1 ZINC000058590974 563208105 /nfs/dbraw/zinc/20/81/05/563208105.db2.gz GYPPYQPUGNTQFF-LJQANCHMSA-N 0 0 463.891 5.676 1 0 JKAFRN CCC[C@@]1(c2cccc(-c3ccnn3C)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F ZINC000058591721 563208162 /nfs/dbraw/zinc/20/81/62/563208162.db2.gz AFSRPVCPAWCVKQ-JOCHJYFZSA-N 0 0 462.903 6.194 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3c(C)noc3C)ccc21 ZINC000058592522 563208266 /nfs/dbraw/zinc/20/82/66/563208266.db2.gz HUMQXAQBYTVYGA-UHFFFAOYSA-N 0 0 487.644 6.162 1 0 JKAFRN O=C(Nc1cc(F)cc(F)c1)N1CCC2(CN(c3ccc(F)c(Cl)c3)[C@H]2c2ccccn2)CC1 ZINC000058603707 563208437 /nfs/dbraw/zinc/20/84/37/563208437.db2.gz KRDJNRGBYOKCJA-QHCPKHFHSA-N 0 0 486.925 6.028 1 0 JKAFRN O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(Cl)c1)[C@@H]2c1ccccn1 ZINC000058603480 563208449 /nfs/dbraw/zinc/20/84/49/563208449.db2.gz YCIFLEOHCOBQNX-JOCHJYFZSA-N 0 0 482.918 5.415 1 0 JKAFRN O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(Cl)c1)[C@@H]2c1ccccn1 ZINC000058603817 563208454 /nfs/dbraw/zinc/20/84/54/563208454.db2.gz GJRHWNWQCQVPBA-JOCHJYFZSA-N 0 0 482.918 5.415 1 0 JKAFRN O=C(NC1CCCCC1)[C@H](C1CCCCC1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000058633048 563208494 /nfs/dbraw/zinc/20/84/94/563208494.db2.gz DZGNRZLPMHOISU-VWLOTQADSA-N 0 0 450.026 6.927 1 0 in-vitro JKAFRN COc1cc(-c2nc3ccccc3c(NCc3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC ZINC000058651309 563208567 /nfs/dbraw/zinc/20/85/67/563208567.db2.gz WOENNEGZLJMEOU-UHFFFAOYSA-N 0 0 470.356 6.242 1 0 JKAFRN C[C@H](CCNC(=O)OC1CCCCC1)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000058655524 563208646 /nfs/dbraw/zinc/20/86/46/563208646.db2.gz DZRWNPGFCICGRH-PNWJJOCKSA-N 0 0 489.741 6.062 1 0 JKAFRN CN(CC[NH+](C)C)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000058661211 563208647 /nfs/dbraw/zinc/20/86/47/563208647.db2.gz YQUCBFIQSJVCOR-JOCHJYFZSA-N 0 0 475.633 5.309 1 0 in-vitro JKAFRN COc1nc(/C=C/c2nc3n(n2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1 ZINC000059099887 563208832 /nfs/dbraw/zinc/20/88/32/563208832.db2.gz SSGLBUGNISHUAO-RDELFYGPSA-N 0 0 480.494 5.291 1 0 JKAFRN FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1 ZINC000059226184 563208945 /nfs/dbraw/zinc/20/89/45/563208945.db2.gz ASTLPXOQIQABJF-UHFFFAOYSA-N 0 0 457.374 6.311 1 0 JKAFRN Cc1cc(-c2nc(-c3ccccc3OC(F)(F)F)no2)ccc1-c1ccccc1C(F)(F)F ZINC000059239876 563208963 /nfs/dbraw/zinc/20/89/63/563208963.db2.gz YHZXYFNSENVHTC-UHFFFAOYSA-N 0 0 464.365 7.296 1 0 JKAFRN COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CSc1ccc(Br)cc1 ZINC000059255450 563208975 /nfs/dbraw/zinc/20/89/75/563208975.db2.gz NDIZKEDXYHSOFY-UHFFFAOYSA-N 0 0 454.729 5.366 1 0 JKAFRN COc1ccc(Cl)cc1Nc1nc2c(s1)CCCCc1nc(NC(=O)C(C)(C)C)sc1-2 ZINC000059263437 563208985 /nfs/dbraw/zinc/20/89/85/563208985.db2.gz ONDHZRZXNAFFAF-UHFFFAOYSA-N 0 0 477.055 6.536 3 0 JKAFRN Cn1c(=O)c2sc(-c3cccc(C(F)(F)F)c3)cc2nc1NCc1ccc2occc2c1 ZINC000061895778 563209714 /nfs/dbraw/zinc/20/97/14/563209714.db2.gz GEMNBEJSHYTZEN-UHFFFAOYSA-N 0 0 455.461 6.039 3 0 JKAFRN O=C(Nc1cccc(Oc2ccccc2)c1)[C@@H]1Cc2c(nccc2-c2ccc3c(c2)OCO3)O1 ZINC000061895546 563209724 /nfs/dbraw/zinc/20/97/24/563209724.db2.gz MSVYZRKXGYGAMX-VWLOTQADSA-N 0 0 452.466 5.212 3 0 JKAFRN CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(=O)c1ccc(OC)cc1 ZINC000061895656 563209736 /nfs/dbraw/zinc/20/97/36/563209736.db2.gz APFCCCWBMVWOTI-UHFFFAOYSA-N 0 0 483.490 5.780 3 0 JKAFRN O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 ZINC000061896677 563209793 /nfs/dbraw/zinc/20/97/93/563209793.db2.gz AQDDTZWRWQDWRY-FQEVSTJZSA-N 0 0 458.345 5.279 3 0 JKAFRN CCc1nc2c(OCc3cc(Cl)cc(Cl)c3)cccn2c1N(C)C(=O)c1ccccc1F ZINC000061897051 563209829 /nfs/dbraw/zinc/20/98/29/563209829.db2.gz WWXHFTCMLLKMOH-UHFFFAOYSA-N 0 0 472.347 6.198 3 0 JKAFRN O=C(N[C@@H](c1ccsc1)c1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061903364 563210068 /nfs/dbraw/zinc/21/00/68/563210068.db2.gz AQWWBBZUNNOPJT-HSZRJFAPSA-N 0 0 459.442 6.173 3 0 JKAFRN CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(nccc3-c3ccccc3Oc3ccccc3)O2)c1 ZINC000061898802 563209972 /nfs/dbraw/zinc/20/99/72/563209972.db2.gz MHFBRBWPBVUOLP-AREMUKBSSA-N 0 0 450.494 5.686 3 0 JKAFRN CN(C)c1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061903003 563210040 /nfs/dbraw/zinc/21/00/40/563210040.db2.gz AHIXQUMFVJKHII-GDLZYMKVSA-N 0 0 465.553 5.939 3 0 JKAFRN C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(nccc2-c2ccc3c(c2)OCO3)O1 ZINC000061903213 563210065 /nfs/dbraw/zinc/21/00/65/563210065.db2.gz FOYAPMGZDBHCTA-JOCHJYFZSA-N 0 0 476.838 5.482 3 0 JKAFRN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061903423 563210081 /nfs/dbraw/zinc/21/00/81/563210081.db2.gz ODTKZKAFZLTFQU-DEOSSOPVSA-N 0 0 460.892 6.276 3 0 JKAFRN c1c(-c2ccc(OCc3ccccc3)cc2)nn2ccc(NCc3ccc4c(c3)OCO4)nc12 ZINC000061903479 563210086 /nfs/dbraw/zinc/21/00/86/563210086.db2.gz CUCAWDFFMQORDC-UHFFFAOYSA-N 0 0 450.498 5.316 3 0 JKAFRN O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(nccc2-c2ccccc2Oc2ccccc2)O1 ZINC000061905394 563210323 /nfs/dbraw/zinc/21/03/23/563210323.db2.gz UVXCPJOETFYACC-RUZDIDTESA-N 0 0 452.466 5.212 3 0 JKAFRN Cn1c(=O)c2cc(NC(=O)CCc3cccc(Cl)c3)ccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000061905709 563210355 /nfs/dbraw/zinc/21/03/55/563210355.db2.gz BPFXCHLXORVDIY-UHFFFAOYSA-N 0 0 487.909 5.632 3 0 JKAFRN O=C(CCc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)Nc2ccc(F)c(Cl)c2)no1 ZINC000061905897 563210417 /nfs/dbraw/zinc/21/04/17/563210417.db2.gz VANTVFLQEBRXLV-NRFANRHFSA-N 0 0 455.917 5.406 3 0 JKAFRN COc1ccc(NC(=O)[C@@]2(C)Cc3c(nccc3-c3cccc(C(F)(F)F)c3)O2)cc1OC ZINC000061906994 563210544 /nfs/dbraw/zinc/21/05/44/563210544.db2.gz GMCSOCVBQIIDBS-HSZRJFAPSA-N 0 0 458.436 5.117 3 0 JKAFRN O=C(NCc1ccc(Cl)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 ZINC000061908495 563210743 /nfs/dbraw/zinc/21/07/43/563210743.db2.gz AJIMCROZJAUWQY-KRWDZBQOSA-N 0 0 464.374 5.340 3 0 JKAFRN Cc1nc2c(OCc3ccc(OC(F)F)cc3)cccn2c1N(C)C(=O)CCC1CCCC1 ZINC000061908649 563210774 /nfs/dbraw/zinc/21/07/74/563210774.db2.gz VKPNPTYFQMJPEE-UHFFFAOYSA-N 0 0 457.521 5.756 3 0 JKAFRN CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc32)C1 ZINC000061921506 563211022 /nfs/dbraw/zinc/21/10/22/563211022.db2.gz JLILRDUTXCLLLT-AREMUKBSSA-N 0 0 497.639 5.037 3 0 JKAFRN O=c1c2cc(Br)ccc2nc2n1-c1cc3ccccc3cc1C(=O)N[C@@H]2Cc1ccccc1 ZINC000061921351 563211025 /nfs/dbraw/zinc/21/10/25/563211025.db2.gz DFUOGRDSCQDAKT-HSZRJFAPSA-N 0 0 496.364 5.329 3 0 JKAFRN O=c1c2cc(Br)ccc2nc2n1-c1cc3ccccc3cc1C(=O)N[C@H]2Cc1ccccc1 ZINC000061921352 563211048 /nfs/dbraw/zinc/21/10/48/563211048.db2.gz DFUOGRDSCQDAKT-QHCPKHFHSA-N 0 0 496.364 5.329 3 0 JKAFRN CC(C)C[C@H]1CC(=O)N([C@]2(C(=O)NCCc3ccccc3)CC[C@@H]3Cc4ccccc4C[C@H]3C2)C1 ZINC000248241296 570076571 /nfs/dbraw/zinc/07/65/71/570076571.db2.gz FBKIOMFTBNWZDO-UVCQFPCVSA-N 0 0 472.673 5.194 2 0 JKAFRN CC1=N[C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)C(C)=N1 ZINC000013383666 571700098 /nfs/dbraw/zinc/70/00/98/571700098.db2.gz OEDAQCLCHGASNH-POTDNYQPSA-N 0 0 474.686 6.532 1 0 endogenous,in-man JKAFRN CC1(C)CC[C@@]2(C)CC[C@@]3(C)[C@@](O)(C[C@H](O)[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000014617323 571716665 /nfs/dbraw/zinc/71/66/65/571716665.db2.gz PVMLWBWORNCCPQ-LLQTWMEQSA-N 0 0 460.743 6.335 1 0 endogenous,in-man JKAFRN 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/nfs/dbraw/zinc/05/57/78/560055778.db2.gz RQCICFUXVUZTOM-UHFFFAOYSA-N 0 0 484.548 6.164 1 0 biogenic,in-vitro JKAFRN CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)C[C@@]3(O)CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 ZINC000095914317 560055820 /nfs/dbraw/zinc/05/58/20/560055820.db2.gz BFIMWFFGVDHDKX-SSULLOFJSA-N 0 0 476.742 5.307 1 0 biogenic,in-vitro JKAFRN C[C@H]1C(=O)[C@H](O)C[C@]2(C)[C@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@@H]3[C@@H](CO)C[C@]12C ZINC000095486170 560061745 /nfs/dbraw/zinc/06/17/45/560061745.db2.gz ISBCSNWHWORHGI-NAODVOGESA-N 0 0 486.781 7.036 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)C/C=C/C(C)(C)O)[C@@]1(C)CC3 ZINC000095099486 560062479 /nfs/dbraw/zinc/06/24/79/560062479.db2.gz FSFXUDKVXHPJGX-UMUDHXNMSA-N 0 0 484.765 8.021 1 0 biogenic,in-vitro JKAFRN COc1c(O)ccc(CCC(=O)C[C@H]2C[C@@H](C3CCCC3)CCO2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597461 560063071 /nfs/dbraw/zinc/06/30/71/560063071.db2.gz SHTGMWXOMYPLPT-NEKDWFFYSA-N 0 0 488.624 6.804 1 0 biogenic,in-vitro JKAFRN C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C[C@@H](O)[C@@]45CC[C@@](C)(C[C@H]4[C@]3(C)CC[C@]12C)C(=O)OC5 ZINC000085642858 560067457 /nfs/dbraw/zinc/06/74/57/560067457.db2.gz BVZOXPCXYRGXKC-RUXXHOCVSA-N 0 0 470.694 5.945 1 0 biogenic,in-vitro JKAFRN COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCCCC[C@H](CC(C)C)C2)OC(C)=O)ccc1O ZINC000085629469 560068408 /nfs/dbraw/zinc/06/84/08/560068408.db2.gz JOPNORJQLKGKHL-DLGLWYJGSA-N 0 0 476.654 6.220 1 0 biogenic,in-vitro JKAFRN CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccc(O)cc2)c(O)c(OC)c1)OC(C)=O)OC(C)=O ZINC000085629560 560068462 /nfs/dbraw/zinc/06/84/62/560068462.db2.gz HZPZWGRYBFIRMA-IZZNHLLZSA-N 0 0 486.605 5.464 1 0 biogenic,in-vitro JKAFRN COc1cc(CCC(O)=CC(=O)C[C@H](CCCCc2cccc(O)c2)c2cccc(O)c2)ccc1O ZINC000085627133 560069009 /nfs/dbraw/zinc/06/90/09/560069009.db2.gz DSUVFYGGYIFIOH-QHCPKHFHSA-N 0 0 490.596 5.860 1 0 biogenic,in-vitro JKAFRN CCC/C=C1\OC(=O)C2=C1CC[C@@]1(Cc3ccccc3)[C@@H]3C=C4C(=O)O/C(=C\CCC)[C@]4(CC3)[C@@H]21 ZINC000085571587 560069745 /nfs/dbraw/zinc/06/97/45/560069745.db2.gz LKGXSLGIPAUSSD-DVHTZGNBSA-N 0 0 470.609 6.740 1 0 biogenic,in-vitro JKAFRN CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@H]4C=C5C(=O)O/C(=C\CCC6CCCC6)[C@@]5(CC4)[C@@H]32)CCCC1 ZINC000085571242 560069888 /nfs/dbraw/zinc/06/98/88/560069888.db2.gz VIKIGPBMKVWRJH-FXQWBRAPSA-N 0 0 488.668 7.468 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2 ZINC000085530533 560073455 /nfs/dbraw/zinc/07/34/55/560073455.db2.gz OTDUGESKRJHFHR-PYGMBLSSSA-N 0 0 486.737 6.293 1 0 biogenic,in-vitro JKAFRN [NH3+]CCC1=C[C@@H](CCCCCC[C@H](C/C=C/CCC(=O)[O-])C2(c3ccc(O)cc3)CCCCC2)CC1 ZINC000085489194 560075614 /nfs/dbraw/zinc/07/56/14/560075614.db2.gz VTVXOCQPPXTHDT-ULVPVPFESA-N 0 0 495.748 8.047 1 0 biogenic,in-vitro JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000036411485 560086706 /nfs/dbraw/zinc/08/67/06/560086706.db2.gz PLMKQQMDOMTZGG-HDUSDABTSA-N 0 0 486.737 6.294 1 0 biogenic,in-vitro JKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000003978200 560192166 /nfs/dbraw/zinc/19/21/66/560192166.db2.gz YIEIZLQDUWWSED-DJGKXLLUSA-N 0 0 468.590 5.141 1 0 in-vitro JKAFRN CC(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@H](OC=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000004175559 560197356 /nfs/dbraw/zinc/19/73/56/560197356.db2.gz QUJLETGICXFWLI-SLBOFOFZSA-N 0 0 498.616 5.546 1 0 in-vitro JKAFRN CC(=O)Oc1c(Cl)c(C)c2c(c1Cl)Oc1c(C)c(Cl)c(OC(C)=O)c(Cl)c1OC2=O ZINC000004175654 560197363 /nfs/dbraw/zinc/19/73/63/560197363.db2.gz VCSFYFAZNRGDJK-UHFFFAOYSA-N 0 0 494.110 6.093 1 0 in-vitro JKAFRN CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC(=O)O[C@H]3c3ccoc3)[C@]12C ZINC000013298291 560213748 /nfs/dbraw/zinc/21/37/48/560213748.db2.gz FJIIOEQLAAKWEL-YKFXZRRWSA-N 0 0 470.606 5.365 3 0 in-vitro JKAFRN CCCC[C@H](CC)COC(=O)Cc1ccc(O/C(=C2/C(=O)Nc3ccccc32)c2ccccc2)cc1 ZINC000014557387 560222396 /nfs/dbraw/zinc/22/23/96/560222396.db2.gz DGWRIHOXTOJRIO-RDGOZCQJSA-N 0 0 483.608 6.888 1 0 in-vitro JKAFRN CC(C)=CCc1cc([C@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)cc(CC=C(C)C)c1O ZINC000014821553 560226815 /nfs/dbraw/zinc/22/68/15/560226815.db2.gz ABQFAJSGVWQVGF-HHHXNRCGSA-N 0 0 476.613 7.036 1 0 biogenic,in-vitro JKAFRN Oc1ccc(CCc2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000015262295 560229905 /nfs/dbraw/zinc/22/99/05/560229905.db2.gz XTKYJSQCSMYAKY-VSGBNLITSA-N 0 0 456.494 5.265 1 0 biogenic,in-vitro JKAFRN O=C1O/C(=C\c2ccc(O)c(Br)c2)C(c2ccc(O)c(Cl)c2)=C1Br ZINC000001663381 562923170 /nfs/dbraw/zinc/92/31/70/562923170.db2.gz QHIKKPMDFHDGFT-NSIKDUERSA-N 0 0 472.516 5.218 1 0 JKAFRN NC(=O)Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 ZINC000000606258 562918730 /nfs/dbraw/zinc/91/87/30/562918730.db2.gz RCRCLMXKEIRRJW-UHFFFAOYSA-N 0 0 466.585 7.095 1 0 JKAFRN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000000801135 562919077 /nfs/dbraw/zinc/91/90/77/562919077.db2.gz BQTARROTMCIJNC-IBVKSMDESA-N 0 0 463.549 6.235 1 0 JKAFRN CCOc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O ZINC000000847724 562919371 /nfs/dbraw/zinc/91/93/71/562919371.db2.gz XJPNZIDAHGPRIT-BVZFJXPGSA-N 0 0 463.530 5.174 1 0 JKAFRN COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1 ZINC000001490206 562920334 /nfs/dbraw/zinc/92/03/34/562920334.db2.gz ZDMBKIHGRXLNRP-UHFFFAOYSA-N 0 0 452.341 5.477 1 0 JKAFRN CCCCc1ccc(CCc2cc3c(s2)-n2c(C)nnc2CN=C3c2ccccc2Cl)cc1 ZINC000001533235 562920521 /nfs/dbraw/zinc/92/05/21/562920521.db2.gz KYAWBGDNKNBOJF-UHFFFAOYSA-N 0 0 475.061 6.769 1 0 JKAFRN C[C@@H](O)c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000001538120 562920644 /nfs/dbraw/zinc/92/06/44/562920644.db2.gz KWPBNAJOXCLJDJ-OAQYLSRUSA-N 0 0 454.566 6.137 1 0 JKAFRN Cc1cc2c(cc1C)c(-c1ccccc1)c(NC(=O)N(C)Cc1ccccc1Cl)n(C)c2=O ZINC000001537730 562920700 /nfs/dbraw/zinc/92/07/00/562920700.db2.gz FVYJZIDKUKSJMY-UHFFFAOYSA-N 0 0 459.977 6.140 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(F)cc1F)c1ccccc1 ZINC000001538906 562920734 /nfs/dbraw/zinc/92/07/34/562920734.db2.gz WTFRDKBVNOFYKZ-XDBZFTIUSA-N 0 0 491.538 5.551 1 0 JKAFRN CCS(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000001540651 562920815 /nfs/dbraw/zinc/92/08/15/562920815.db2.gz SUOCMIKXLFKQTH-RUZDIDTESA-N 0 0 452.620 5.601 1 0 JKAFRN CC(C)N1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000001544274 562920935 /nfs/dbraw/zinc/92/09/35/562920935.db2.gz GKJNQGDEJDRAPR-RUZDIDTESA-N 0 0 480.395 5.271 1 0 JKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)n2)cc1 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ZINC000011688973 562957583 /nfs/dbraw/zinc/95/75/83/562957583.db2.gz FFQLXAQWHRYUNK-UHFFFAOYSA-N 0 0 451.555 6.560 1 0 JKAFRN Cc1oc(-c2ccccc2NC(=O)C2CCC2)nc1CNC(=O)c1cccc(C(F)(F)F)c1 ZINC000011976899 562958068 /nfs/dbraw/zinc/95/80/68/562958068.db2.gz GBHAPALSWRUJFQ-UHFFFAOYSA-N 0 0 457.452 5.337 1 0 JKAFRN O=C(Cc1c[nH]c2ccccc12)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2[C@H]2CCCO2)CC1 ZINC000012079415 562959182 /nfs/dbraw/zinc/95/91/82/562959182.db2.gz XNGIALPJFVXVRG-XMMPIXPASA-N 0 0 496.533 5.794 1 0 JKAFRN Cn1cnnc1Sc1ccc(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)o1 ZINC000012131508 562959270 /nfs/dbraw/zinc/95/92/70/562959270.db2.gz RBSRNEYABXOWLA-UHFFFAOYSA-N 0 0 456.571 5.051 1 0 JKAFRN CC(C)C(=O)N1CCOc2c(cc(-c3csc4ccccc43)cc2OCCc2ccccn2)C1 ZINC000012212829 562959378 /nfs/dbraw/zinc/95/93/78/562959378.db2.gz AJUQVEDUAJVLMR-UHFFFAOYSA-N 0 0 472.610 5.962 1 0 JKAFRN COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2-c2ccc(OC)cc2)cc1 ZINC000012477578 562960170 /nfs/dbraw/zinc/96/01/70/562960170.db2.gz CXZOPRFHMKOLBK-UHFFFAOYSA-N 0 0 496.559 7.477 3 0 JKAFRN COc1ccc(-c2oc3ccc(-c4ccc(OC)cc4)cc3c2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000012476952 562960185 /nfs/dbraw/zinc/96/01/85/562960185.db2.gz SKDTWCRJGNJASQ-UHFFFAOYSA-N 0 0 496.559 7.477 3 0 JKAFRN COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012480182 562960302 /nfs/dbraw/zinc/96/03/02/562960302.db2.gz DYSLJBKOUHEVJX-AZUAARDMSA-N 0 0 484.474 5.525 3 0 JKAFRN C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(Cl)cc2n1CCCO ZINC000012507279 562960420 /nfs/dbraw/zinc/96/04/20/562960420.db2.gz GBAQTDUCAGBWLI-LBPRGKRZSA-N 0 0 465.381 6.161 3 0 JKAFRN Cc1ccc(Cn2c3ccccc3nc2[C@H](CO)Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000012507283 562960474 /nfs/dbraw/zinc/96/04/74/562960474.db2.gz PNLLPSRETNSELK-QFIPXVFZSA-N 0 0 458.562 5.801 3 0 JKAFRN CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 ZINC000012726375 562960811 /nfs/dbraw/zinc/96/08/11/562960811.db2.gz YHGVYECWZWIVJC-AWOYHKJGSA-N 0 0 458.727 6.112 3 0 JKAFRN CC1(C)C[C@H](O)[C@@]23C[C@@H](OC2=O)[C@]2(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]42C)[C@@H]3C1 ZINC000012726380 562960822 /nfs/dbraw/zinc/96/08/22/562960822.db2.gz PJICFKSSJHWPPN-PMZOVLRHSA-N 0 0 470.694 5.655 3 0 JKAFRN O=S(=O)(c1ccccc1)[C@@]1(c2ccccc2)C[C@@H]2ON=C(c3cccc(-c4ccccc4)c3)[C@@H]2C1 ZINC000012726576 562960883 /nfs/dbraw/zinc/96/08/83/562960883.db2.gz NOVVPNBYUYMKJW-OYKXOOMRSA-N 0 0 479.601 6.236 3 0 JKAFRN O=S(=O)(c1ccccc1)[C@@]1(c2ccccc2)C[C@@H]2ON=C(c3cccc(Br)c3)[C@@H]2C1 ZINC000012726613 562960894 /nfs/dbraw/zinc/96/08/94/562960894.db2.gz OIVKVBURUSQOPH-AOHZBQACSA-N 0 0 482.399 5.331 3 0 JKAFRN Cc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013136786 562961668 /nfs/dbraw/zinc/96/16/68/562961668.db2.gz LJCVKUHWTJJGOK-NRFANRHFSA-N 0 0 454.574 5.400 3 0 JKAFRN CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013154155 562961878 /nfs/dbraw/zinc/96/18/78/562961878.db2.gz AFZFZCJOEILYSX-VWLOTQADSA-N 0 0 458.606 6.011 1 0 JKAFRN COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)cc(-c3cc4ccccc4oc3=O)n2)cc1 ZINC000013222617 562961930 /nfs/dbraw/zinc/96/19/30/562961930.db2.gz WWPDWKGWRGAPEM-UHFFFAOYSA-N 0 0 495.531 6.223 1 0 JKAFRN Cc1cc(NC2CCCC2)cn2c1nc(-c1ccc(F)cc1)c2-c1ccnc(NC2CCCC2)n1 ZINC000013285320 562961987 /nfs/dbraw/zinc/96/19/87/562961987.db2.gz AXMSBOPRFGDYRI-UHFFFAOYSA-N 0 0 470.596 6.615 1 0 JKAFRN C/C(=C\CC[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)CO ZINC000013330698 562962045 /nfs/dbraw/zinc/96/20/45/562962045.db2.gz PBRWVXAYDRQRGX-HPCMVBPFSA-N 0 0 454.695 6.407 1 0 JKAFRN Oc1ccc(/C=C/c2cc3oc(-c4ccc(O)cc4)c(-c4cc(O)cc(O)c4)c3c(O)c2)cc1 ZINC000013360826 562962133 /nfs/dbraw/zinc/96/21/33/562962133.db2.gz PKURHFYJMWBEEX-OWOJBTEDSA-N 0 0 452.462 6.465 1 0 JKAFRN C/C1=C/CC/C(C)=C\C[C@H](C(C)(C)NC(=O)NC(C)(C)[C@H]2C/C=C(/C)CC/C=C(/C)CC2)CC1 ZINC000013378048 562962226 /nfs/dbraw/zinc/96/22/26/562962226.db2.gz NONDACGLMDJFJO-JAJMBQQPSA-N 0 0 468.770 8.789 1 0 JKAFRN COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1 ZINC000013404623 562962269 /nfs/dbraw/zinc/96/22/69/562962269.db2.gz VJKKCVLVWDXUQG-LITNXZNISA-N 0 0 484.548 6.158 1 0 JKAFRN COc1cc2c(cc1OC)CN(CCn1c(=O)c3ccccc3nc1-c1ccc3ccccc3c1)CC2 ZINC000013438296 562962586 /nfs/dbraw/zinc/96/25/86/562962586.db2.gz TYAZKPZMWXPZFC-UHFFFAOYSA-N 0 0 491.591 5.292 1 0 JKAFRN Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(C(C)(C)C)cc3)c1)c1cccc(Cl)c21 ZINC000013439799 562962852 /nfs/dbraw/zinc/96/28/52/562962852.db2.gz KZPJTQBHRQGIDR-UHFFFAOYSA-N 0 0 499.998 6.572 1 0 JKAFRN Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(F)cc3)c1)c1cccc(Cl)c21 ZINC000013439797 562962855 /nfs/dbraw/zinc/96/28/55/562962855.db2.gz BFPBZEVHJNRWNH-UHFFFAOYSA-N 0 0 461.880 5.414 1 0 JKAFRN O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(Cl)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000013440906 562963198 /nfs/dbraw/zinc/96/31/98/562963198.db2.gz VVIZAZQTPDADQG-UHFFFAOYSA-N 0 0 492.410 5.149 1 0 JKAFRN O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(F)cc3)cc2)CCN1c1cccc(Cl)c1 ZINC000013440904 562963217 /nfs/dbraw/zinc/96/32/17/562963217.db2.gz XAOIXEKQWGJTAE-UHFFFAOYSA-N 0 0 474.967 5.240 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2ccc(N3CCCS3(=O)=O)cc2)cc1OC1CCCC1 ZINC000013442014 562963483 /nfs/dbraw/zinc/96/34/83/562963483.db2.gz OZVLNYWXAWBEPA-AREMUKBSSA-N 0 0 492.641 5.326 1 0 JKAFRN CCN(CC)C(=O)Nc1ccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000013442021 562963487 /nfs/dbraw/zinc/96/34/87/562963487.db2.gz OUTXMNYEPRELAA-HHHXNRCGSA-N 0 0 487.644 6.660 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2ccc(NS(C)(=O)=O)cc2)cc1OC1CCCC1 ZINC000013442007 562963490 /nfs/dbraw/zinc/96/34/90/562963490.db2.gz FBVXCEJRBYJBSE-XMMPIXPASA-N 0 0 466.603 5.158 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2ccc(NS(=O)(=O)C(C)C)cc2)cc1OC1CCCC1 ZINC000013442009 562963497 /nfs/dbraw/zinc/96/34/97/562963497.db2.gz YDDRYTRJTQJNSB-AREMUKBSSA-N 0 0 494.657 5.936 1 0 JKAFRN CCCC(=O)Nc1ccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1 ZINC000013442016 562963499 /nfs/dbraw/zinc/96/34/99/562963499.db2.gz HRGGMEYNCDFKRQ-AREMUKBSSA-N 0 0 458.602 6.525 1 0 JKAFRN CCOC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442523 562963657 /nfs/dbraw/zinc/96/36/57/562963657.db2.gz AMASUPSHOBDCLG-UHFFFAOYSA-N 0 0 451.527 5.722 1 0 JKAFRN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000013442513 562963665 /nfs/dbraw/zinc/96/36/65/562963665.db2.gz IEGJCGCABCXNEB-UHFFFAOYSA-N 0 0 470.573 6.733 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc2ccccc21 ZINC000013447027 562964358 /nfs/dbraw/zinc/96/43/58/562964358.db2.gz MCPJCWHKKOHUCO-SSEXGKCCSA-N 0 0 497.683 6.871 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1 ZINC000013447059 562964420 /nfs/dbraw/zinc/96/44/20/562964420.db2.gz MISMTJZRIUCAFB-AREMUKBSSA-N 0 0 497.083 6.763 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1 ZINC000013447062 562964426 /nfs/dbraw/zinc/96/44/26/562964426.db2.gz MISMTJZRIUCAFB-SANMLTNESA-N 0 0 497.083 6.763 1 0 JKAFRN C[C@@H]1CCCC[C@H]1OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 ZINC000013454568 562964898 /nfs/dbraw/zinc/96/48/98/562964898.db2.gz FXGXACULFSOLBO-VGTADKHUSA-N 0 0 461.606 5.133 1 0 JKAFRN COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](CCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455693 562965072 /nfs/dbraw/zinc/96/50/72/562965072.db2.gz YMKMUZSQPBBACT-LJQANCHMSA-N 0 0 481.608 6.066 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1c(OC)cc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455659 562965076 /nfs/dbraw/zinc/96/50/76/562965076.db2.gz JYRSFOWXFFRZNP-IBGZPJMESA-N 0 0 480.624 5.337 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1c(OC)cc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455662 562965079 /nfs/dbraw/zinc/96/50/79/562965079.db2.gz JYRSFOWXFFRZNP-LJQANCHMSA-N 0 0 480.624 5.337 1 0 JKAFRN COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](CCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455695 562965093 /nfs/dbraw/zinc/96/50/93/562965093.db2.gz OUHRKOHQXFEURK-FQEVSTJZSA-N 0 0 495.635 6.456 1 0 JKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3ccc(O)c(CC=C(C)C)c3O2)cc2c1OC(C)(C)[C@@H](O)C2 ZINC000013460796 562965207 /nfs/dbraw/zinc/96/52/07/562965207.db2.gz NUOVQYNGOFQMCJ-SVBPBHIXSA-N 0 0 476.613 6.191 1 0 JKAFRN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)cc1 ZINC000013470489 562965321 /nfs/dbraw/zinc/96/53/21/562965321.db2.gz UUUKAWSXNWPUHW-PDGQHHTCSA-N 0 0 476.583 5.119 1 0 JKAFRN CN(C)C(=O)N[C@@H]1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471206 562965474 /nfs/dbraw/zinc/96/54/74/562965474.db2.gz TZNSZZMLARSGAI-OAQYLSRUSA-N 0 0 467.491 5.363 1 0 JKAFRN COC(=O)NCC[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471291 562965574 /nfs/dbraw/zinc/96/55/74/562965574.db2.gz MYJNLWYXNNVJAZ-GOSISDBHSA-N 0 0 496.529 6.394 1 0 JKAFRN CC[C@H](C)c1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1 ZINC000013472867 562966081 /nfs/dbraw/zinc/96/60/81/562966081.db2.gz OPMDTRSKQCBHDD-SFHVURJKSA-N 0 0 451.014 6.145 1 0 JKAFRN c1cnc2nc3c(c(NCCCCCCNc4c5cccnc5nc5c4CCCC5)c2c1)CCCC3 ZINC000013473792 562966389 /nfs/dbraw/zinc/96/63/89/562966389.db2.gz OYFQRIHSVKLETO-UHFFFAOYSA-N 0 0 480.660 6.415 1 0 JKAFRN COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487103 562967601 /nfs/dbraw/zinc/96/76/01/562967601.db2.gz JPMVCHCFHWRPMX-UHFFFAOYSA-N 0 0 495.284 6.827 1 0 JKAFRN CCC[C@H](C)n1c(CC)nc2c1nccc2-c1ccc(OCC(=O)OCC)nc1C(F)(F)F ZINC000013487167 562967610 /nfs/dbraw/zinc/96/76/10/562967610.db2.gz KDWIFCCGBCCCBD-AWEZNQCLSA-N 0 0 464.488 5.378 1 0 JKAFRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000013487032 562967630 /nfs/dbraw/zinc/96/76/30/562967630.db2.gz WLQAHPDSGAXOGU-FYSMJZIKSA-N 0 0 480.395 5.128 1 0 JKAFRN Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000013487486 562967803 /nfs/dbraw/zinc/96/78/03/562967803.db2.gz VZCWTEHKAAGLQX-UHFFFAOYSA-N 0 0 456.354 6.295 1 0 JKAFRN O=C(Nc1c(Cl)cccc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487488 562967876 /nfs/dbraw/zinc/96/78/76/562967876.db2.gz UEDUPTHBCYCYHE-UHFFFAOYSA-N 0 0 475.784 7.366 1 0 JKAFRN CC(C)Nc1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 ZINC000013487920 562967972 /nfs/dbraw/zinc/96/79/72/562967972.db2.gz QTAWUHCBBXBDLA-SFHVURJKSA-N 0 0 465.447 5.113 1 0 JKAFRN O=C(c1ccc(-c2ccccc2)o1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000013487959 562968008 /nfs/dbraw/zinc/96/80/08/562968008.db2.gz DNNLFXSQOUYPSH-MUUNZHRXSA-N 0 0 462.505 5.945 1 0 JKAFRN CC(C)Nc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1 ZINC000013487921 562968022 /nfs/dbraw/zinc/96/80/22/562968022.db2.gz QTAWUHCBBXBDLA-GOSISDBHSA-N 0 0 465.447 5.113 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1 ZINC000013487978 562968063 /nfs/dbraw/zinc/96/80/63/562968063.db2.gz DBPFEQBWBBWGBL-LJAQVGFWSA-N 0 0 474.564 5.721 1 0 JKAFRN CCCCOP(=O)(CCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCCCC ZINC000013488978 562968398 /nfs/dbraw/zinc/96/83/98/562968398.db2.gz SUEXAKKCIXWVQP-UHFFFAOYSA-N 0 0 487.602 8.317 1 0 JKAFRN CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCCNc1ccc(OCc2ccccc2)cc1 ZINC000013490306 562969286 /nfs/dbraw/zinc/96/92/86/562969286.db2.gz KALFEJDRRGDYIW-MHZLTWQESA-N 0 0 498.627 5.120 1 0 JKAFRN CCOc1cc2c(Nc3cccc(-c4csc(C)n4)c3)ncnc2c(OCC)c1OCC ZINC000013490856 562969334 /nfs/dbraw/zinc/96/93/34/562969334.db2.gz TVEGBIXFMLXVRK-UHFFFAOYSA-N 0 0 450.564 6.001 1 0 JKAFRN O[C@H](CN(Cc1cccc(OC(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1)C(F)(F)F ZINC000013490893 562969343 /nfs/dbraw/zinc/96/93/43/562969343.db2.gz RSMDAIDLRPIOSW-OAQYLSRUSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490891 562969355 /nfs/dbraw/zinc/96/93/55/562969355.db2.gz STUPFEVEXRNAEM-OAQYLSRUSA-N 0 0 471.397 6.307 1 0 JKAFRN O[C@@H](CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000013490926 562969401 /nfs/dbraw/zinc/96/94/01/562969401.db2.gz ORTBBJOWXWISMK-MHZLTWQESA-N 0 0 479.498 7.118 1 0 JKAFRN O[C@H](CN(Cc1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490905 562969422 /nfs/dbraw/zinc/96/94/22/562969422.db2.gz ZYFMOCYZDRPVGO-HHHXNRCGSA-N 0 0 479.498 7.201 1 0 JKAFRN C[S@@](=O)c1ccc(CSc2nc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491673 562969574 /nfs/dbraw/zinc/96/95/74/562969574.db2.gz PWLDFXNLVRLEKP-LJAQVGFWSA-N 0 0 484.444 5.931 1 0 JKAFRN FC(F)(F)c1ccc(N2CCN(Cc3cn(-c4ccccc4)c(-c4ccccc4)n3)CC2)cc1 ZINC000013491645 562969583 /nfs/dbraw/zinc/96/95/83/562969583.db2.gz PEIQSKJNCYGQQW-UHFFFAOYSA-N 0 0 462.519 5.880 1 0 JKAFRN COc1cccc2cc(C(=O)NCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)oc21 ZINC000013492671 562969847 /nfs/dbraw/zinc/96/98/47/562969847.db2.gz OVCZXWAILUTIOQ-UHFFFAOYSA-N 0 0 476.404 5.080 1 0 JKAFRN COc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc21 ZINC000013492664 562969875 /nfs/dbraw/zinc/96/98/75/562969875.db2.gz JIFZJJHUCHFIGP-UHFFFAOYSA-N 0 0 486.443 5.487 1 0 JKAFRN O=c1ccc(-c2c(-c3ccc(F)cc3Cl)nc3ccccn32)nn1-c1ccccc1Cl ZINC000013493047 562970117 /nfs/dbraw/zinc/97/01/17/562970117.db2.gz WFDFOPHPWGDOIZ-UHFFFAOYSA-N 0 0 451.288 5.660 1 0 JKAFRN O=C(Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1)Nc1cc(Cl)cc(Cl)c1 ZINC000013493826 562970305 /nfs/dbraw/zinc/97/03/05/562970305.db2.gz UILAYLCKINADCJ-UHFFFAOYSA-N 0 0 469.155 7.197 1 0 JKAFRN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCC[C@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000013493817 562970359 /nfs/dbraw/zinc/97/03/59/562970359.db2.gz IWWOHXNKGMBZCB-HOTGVXAUSA-N 0 0 490.218 6.555 1 0 JKAFRN Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000013518312 562970661 /nfs/dbraw/zinc/97/06/61/562970661.db2.gz BCRYXRDLEYXVQQ-UHFFFAOYSA-N 0 0 474.629 7.507 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1OC(F)(F)F)Oc1ccc(F)cc1-3 ZINC000013527224 562971792 /nfs/dbraw/zinc/97/17/92/562971792.db2.gz VEXLGUFYKSQHGY-FMCGGJTJSA-N 0 0 467.462 7.889 1 0 JKAFRN COc1cc2c(cc1C)ncnc2N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013528747 562971892 /nfs/dbraw/zinc/97/18/92/562971892.db2.gz XZKSPTBEYGRIAW-UHFFFAOYSA-N 0 0 469.545 5.093 1 0 JKAFRN COc1ccccc1N1CCN(CC(=O)c2oc3ccccc3c2CCc2ccccc2)CC1 ZINC000013529394 562972054 /nfs/dbraw/zinc/97/20/54/562972054.db2.gz LUBITLCFFZIQKA-UHFFFAOYSA-N 0 0 454.570 5.232 1 0 JKAFRN CCCCO[C@@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530141 562972121 /nfs/dbraw/zinc/97/21/21/562972121.db2.gz YZLDZNILTXOKEL-SFHVURJKSA-N 0 0 468.597 5.869 1 0 JKAFRN CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2C2CC2)cn1 ZINC000013529855 562972124 /nfs/dbraw/zinc/97/21/24/562972124.db2.gz VLNWWFUSUIJISD-UHFFFAOYSA-N 0 0 467.396 5.103 1 0 JKAFRN CCCCOCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530100 562972129 /nfs/dbraw/zinc/97/21/29/562972129.db2.gz XWBGMSVOKRMTJO-UHFFFAOYSA-N 0 0 454.570 5.308 1 0 JKAFRN CC[C@H](C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530097 562972181 /nfs/dbraw/zinc/97/21/81/562972181.db2.gz PHSZEFBOTLZUMM-KRWDZBQOSA-N 0 0 454.570 5.307 1 0 JKAFRN CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3ccc(F)c(F)c3)c2)cc2c(Cl)n[nH]c21 ZINC000013531382 562972189 /nfs/dbraw/zinc/97/21/89/562972189.db2.gz VANDIJVPQIBGMK-UHFFFAOYSA-N 0 0 490.963 6.030 1 0 JKAFRN O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21 ZINC000013534332 562972449 /nfs/dbraw/zinc/97/24/49/562972449.db2.gz LIOYKDHOQLNTTQ-UHFFFAOYSA-N 0 0 480.439 5.434 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl ZINC000013534563 562972462 /nfs/dbraw/zinc/97/24/62/562972462.db2.gz KXIIKZWYFOMDJV-UHFFFAOYSA-N 0 0 459.908 5.742 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl ZINC000013534551 562972479 /nfs/dbraw/zinc/97/24/79/562972479.db2.gz VSWXVCQKGPRJIB-UHFFFAOYSA-N 0 0 476.363 6.256 1 0 JKAFRN O=C(NCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000013534360 562972515 /nfs/dbraw/zinc/97/25/15/562972515.db2.gz WPLCSVMMEFEPPZ-UHFFFAOYSA-N 0 0 480.439 5.507 1 0 JKAFRN CC1(C)[C@@H]2CC[C@]3(C)[C@@H]([C@@H](O)C=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]43C)[C@@]2(C)CC[C@@H]1O ZINC000013545516 562973175 /nfs/dbraw/zinc/97/31/75/562973175.db2.gz LOBOMSGBFMNHBJ-AMYZIBLKSA-N 0 0 458.727 6.112 3 0 JKAFRN CCCN(Cc1ccc(O)cc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553445 562973318 /nfs/dbraw/zinc/97/33/18/562973318.db2.gz MFLWOYMTANKNFM-UHFFFAOYSA-N 0 0 455.389 6.373 1 0 JKAFRN CCCCN(Cc1ccncc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553441 562973364 /nfs/dbraw/zinc/97/33/64/562973364.db2.gz JLFCHKGQDFLSPP-UHFFFAOYSA-N 0 0 454.405 6.452 1 0 JKAFRN O=C(Nc1cc(C(=O)OC2CCCCC2)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F ZINC000013555220 562973644 /nfs/dbraw/zinc/97/36/44/562973644.db2.gz VIBQBHLRZGBOKM-UHFFFAOYSA-N 0 0 495.807 5.909 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2S[C@@H](C)C(=O)c3cc4c(cc32)OCO4)cc1)OCC ZINC000013556737 562973819 /nfs/dbraw/zinc/97/38/19/562973819.db2.gz QIOOCLZEGBPENH-RCDICMHDSA-N 0 0 491.502 5.179 1 0 JKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013557974 562974196 /nfs/dbraw/zinc/97/41/96/562974196.db2.gz AHEUZXOCCXVPQY-UHFFFAOYSA-N 0 0 456.464 6.387 1 0 JKAFRN COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@](C)(CC[C@@H]4[C@]3(C)CCC(=O)NC4(C)C)[C@]1(C)CC2 ZINC000013558249 562974322 /nfs/dbraw/zinc/97/43/22/562974322.db2.gz XZXADNVZZMUTAT-VNNAKPRGSA-N 0 0 483.737 6.830 1 0 JKAFRN CCOC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013558582 562974387 /nfs/dbraw/zinc/97/43/87/562974387.db2.gz JYRRXLKPHZPCHK-UHFFFAOYSA-N 0 0 498.572 5.059 1 0 JKAFRN Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013559599 562974955 /nfs/dbraw/zinc/97/49/55/562974955.db2.gz OMTBQCJYPXKIRM-UHFFFAOYSA-N 0 0 488.431 7.178 1 0 JKAFRN CCOC(=O)CCCCCCCCCCOC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013560484 562975378 /nfs/dbraw/zinc/97/53/78/562975378.db2.gz VOOVEEQJVJJICO-UHFFFAOYSA-N 0 0 492.701 5.652 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)oc(=O)c2-c2ccccc2)cc1 ZINC000013581304 562975832 /nfs/dbraw/zinc/97/58/32/562975832.db2.gz FYOIVGQPIZYFBS-UHFFFAOYSA-N 0 0 470.468 6.063 1 0 JKAFRN Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013582674 562975850 /nfs/dbraw/zinc/97/58/50/562975850.db2.gz UPZQSWMQDHIVQJ-UHFFFAOYSA-N 0 0 450.399 5.755 1 0 JKAFRN COc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000013582689 562975855 /nfs/dbraw/zinc/97/58/55/562975855.db2.gz WFOPNLUSQIIBIX-UHFFFAOYSA-N 0 0 496.880 6.278 1 0 JKAFRN CCCC(CCC)n1c(CC)nc2c1C(=O)N(C)[C@@H](CC)N2c1ccc(Cl)cc1Cl ZINC000013582866 562975944 /nfs/dbraw/zinc/97/59/44/562975944.db2.gz FFMFDKHWLQEAOU-HXUWFJFHSA-N 0 0 451.442 6.853 1 0 JKAFRN CC[C@H](C)COc1nc2c(nc(OC[C@@H](C)CC)nc2N2CCCCC2)c(N2CCCCC2)n1 ZINC000013583342 562976019 /nfs/dbraw/zinc/97/60/19/562976019.db2.gz RPAAKJWIOZOYHT-PMACEKPBSA-N 0 0 470.662 5.250 1 0 JKAFRN C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nccn21 ZINC000013584225 562976219 /nfs/dbraw/zinc/97/62/19/562976219.db2.gz TZLWATKWJLUXTA-LJQANCHMSA-N 0 0 451.151 5.589 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(-c3ccc(OC)c(OC)c3)[nH]c(=O)c12 ZINC000013585156 562976266 /nfs/dbraw/zinc/97/62/66/562976266.db2.gz QAWLOGFOABNJFP-UHFFFAOYSA-N 0 0 479.751 5.316 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12 ZINC000013585201 562976283 /nfs/dbraw/zinc/97/62/83/562976283.db2.gz SOVLJCLZSTVRJR-UHFFFAOYSA-N 0 0 493.778 5.239 1 0 JKAFRN Oc1ccc(-c2nn3c(nc(-c4ccccc4)cc3-c3ccccc3)c2-c2cccc(O)c2)cc1 ZINC000013585034 562976287 /nfs/dbraw/zinc/97/62/87/562976287.db2.gz YSDAGCLURAGDML-UHFFFAOYSA-N 0 0 455.517 6.809 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12 ZINC000013585208 562976351 /nfs/dbraw/zinc/97/63/51/562976351.db2.gz HZELJXXPCYGOOL-UHFFFAOYSA-N 0 0 463.752 5.236 1 0 JKAFRN CCOc1nc2c(c(Br)c(Br)c(Br)c2Br)n1C ZINC000013585902 562976451 /nfs/dbraw/zinc/97/64/51/562976451.db2.gz OUDRPFKTTFFDGD-UHFFFAOYSA-N 0 0 491.803 5.022 1 0 JKAFRN CC(/C=C/C1=C(C)[C@@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O)cc1 ZINC000013586651 562976691 /nfs/dbraw/zinc/97/66/91/562976691.db2.gz JHEWGPADVYIQFU-CAJYQCRYSA-N 0 0 457.618 6.910 1 0 JKAFRN Cc1cc(C[NH+]2CC(C(=O)[O-])C2)cc(C)c1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000013586609 562976743 /nfs/dbraw/zinc/97/67/43/562976743.db2.gz WGFVGWMDSCSXKT-UHFFFAOYSA-N 0 0 475.532 6.146 1 0 JKAFRN O=C([O-])[C@H]1CC[N@H+](Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000013586603 562976752 /nfs/dbraw/zinc/97/67/52/562976752.db2.gz BPANWCJVYBGZFM-SFHVURJKSA-N 0 0 461.505 5.919 1 0 JKAFRN O=C1NCc2nc(Sc3ccc(C(F)(F)F)cc3)ccc2N1c1c(Cl)cccc1Cl ZINC000013587253 562976977 /nfs/dbraw/zinc/97/69/77/562976977.db2.gz CGRBPFWXNGSPNS-UHFFFAOYSA-N 0 0 470.303 6.920 1 0 JKAFRN O=C1NCc2nc(Sc3ccc(Cl)cc3Cl)ccc2N1c1c(Cl)cccc1Cl ZINC000013587239 562977011 /nfs/dbraw/zinc/97/70/11/562977011.db2.gz YBDNVVCQDSYULZ-UHFFFAOYSA-N 0 0 471.196 7.208 1 0 JKAFRN Cn1cncc1[C@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587823 562977363 /nfs/dbraw/zinc/97/73/63/562977363.db2.gz AOAQWAKHGOYQKE-MUUNZHRXSA-N 0 0 488.418 6.600 1 0 JKAFRN CCCC[C@H](NC(=O)O[C@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000013589441 562977917 /nfs/dbraw/zinc/97/79/17/562977917.db2.gz MXQQIWVURNRGKR-ZSQFBXSQSA-N 0 0 494.676 6.156 1 0 JKAFRN COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc(C(=O)N(C)C)c2)cc1 ZINC000013589535 562978135 /nfs/dbraw/zinc/97/81/35/562978135.db2.gz MZDBKHKEYUDMAB-UHFFFAOYSA-N 0 0 474.439 5.247 1 0 JKAFRN Cc1cn(Cc2ccc(C(N)=O)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589714 562978189 /nfs/dbraw/zinc/97/81/89/562978189.db2.gz LYQNYINZEXWAQG-UHFFFAOYSA-N 0 0 453.329 5.051 1 0 JKAFRN Cc1cn(CCCC2CCCCC2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589719 562978202 /nfs/dbraw/zinc/97/82/02/562978202.db2.gz UGZDKECEYYYBSI-UHFFFAOYSA-N 0 0 460.405 6.503 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 ZINC000013601031 562978291 /nfs/dbraw/zinc/97/82/91/562978291.db2.gz FOQWMBMXFCBRBN-LJAQVGFWSA-N 0 0 499.761 7.884 1 0 JKAFRN CCCCCN1C(=O)N(CCCCC)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013604418 562978595 /nfs/dbraw/zinc/97/85/95/562978595.db2.gz MQXUJTOWJYVUBG-VIJSPRBVSA-N 0 0 466.666 5.049 1 0 JKAFRN CC(C)CCCN1C(=O)N(CCCC(C)C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1 ZINC000013604429 562978610 /nfs/dbraw/zinc/97/86/10/562978610.db2.gz LYOGIXRQACPKHV-XAZDILKDSA-N 0 0 494.720 5.541 1 0 JKAFRN Cc1ccc2cccc(NC(=O)c3cccnc3[S@@](=O)C(c3ccccc3)c3ccccc3)c2n1 ZINC000013605279 562978662 /nfs/dbraw/zinc/97/86/62/562978662.db2.gz JMLIDIOJEGIWJA-PGUFJCEWSA-N 0 0 477.589 6.088 1 0 JKAFRN O=C(Nc1cccc2ccccc21)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605231 562978683 /nfs/dbraw/zinc/97/86/83/562978683.db2.gz QILDGVWGFIPWQE-UUWRZZSWSA-N 0 0 462.574 6.384 1 0 JKAFRN CCCCN(CCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000013607332 562978817 /nfs/dbraw/zinc/97/88/17/562978817.db2.gz OJBLURRCZFZDIO-UHFFFAOYSA-N 0 0 466.840 6.933 1 0 JKAFRN CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(F)(F)F)cc2)cc1 ZINC000013606890 562978866 /nfs/dbraw/zinc/97/88/66/562978866.db2.gz DWQUIDZKBNATQH-QJOMJCCJSA-N 0 0 481.514 6.845 1 0 JKAFRN CCCCN(C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn21)c1ccccc1 ZINC000013607350 562978918 /nfs/dbraw/zinc/97/89/18/562978918.db2.gz HVTDZMXLBOBLOO-UHFFFAOYSA-N 0 0 452.385 6.684 1 0 JKAFRN CCCCN(Cc1ccccc1)C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12 ZINC000013607353 562978921 /nfs/dbraw/zinc/97/89/21/562978921.db2.gz IUIFYOGCQGXNRF-UHFFFAOYSA-N 0 0 466.412 6.680 1 0 JKAFRN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3c(Cl)cc(Cl)cn23)C1 ZINC000013607381 562978936 /nfs/dbraw/zinc/97/89/36/562978936.db2.gz BGLJZGMDUTWQNZ-OAHLLOKOSA-N 0 0 494.806 5.306 1 0 JKAFRN C[C@@H](C(=O)N(C)C1CCCCC1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607415 562978938 /nfs/dbraw/zinc/97/89/38/562978938.db2.gz IBUHYYTYSFPSRA-CQSZACIVSA-N 0 0 464.824 6.856 1 0 JKAFRN C[C@H](C(=O)N(C)Cc1ccccc1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607422 562978946 /nfs/dbraw/zinc/97/89/46/562978946.db2.gz LVIGBEQRSIXYGL-HNNXBMFYSA-N 0 0 472.803 6.724 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(C[C@@H]3CCC[N@H+]3C)c2c1 ZINC000013607598 562979017 /nfs/dbraw/zinc/97/90/17/562979017.db2.gz KQRPYRJEZVKCOI-SFHVURJKSA-N 0 0 474.051 5.782 1 0 JKAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1 ZINC000013608847 562979183 /nfs/dbraw/zinc/97/91/83/562979183.db2.gz KKTITOSWJRVWOF-ONEGZZNKSA-N 0 0 460.430 5.316 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c2cc1OC ZINC000013610141 562979234 /nfs/dbraw/zinc/97/92/34/562979234.db2.gz WUEVFQBRVSPKLA-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN FC(F)(F)Oc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)cc1 ZINC000013610356 562979333 /nfs/dbraw/zinc/97/93/33/562979333.db2.gz NTYGGXISAIGDQA-UHFFFAOYSA-N 0 0 466.463 6.024 1 0 JKAFRN CC(=O)N1c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611454 562979390 /nfs/dbraw/zinc/97/93/90/562979390.db2.gz ZDQTXZCFLWBFNO-XIFFEERXSA-N 0 0 488.631 7.447 1 0 JKAFRN CC(=O)N1c2ccc(NS(=O)(=O)Cc3ccccc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611388 562979395 /nfs/dbraw/zinc/97/93/95/562979395.db2.gz IATHBRQJVABHAM-MHZLTWQESA-N 0 0 462.615 5.470 1 0 JKAFRN CC(=O)N1c2ccc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611452 562979403 /nfs/dbraw/zinc/97/94/03/562979403.db2.gz ZDQTXZCFLWBFNO-MGBGTMOVSA-N 0 0 488.631 7.447 1 0 JKAFRN CC(=O)N1c2ccc(CNc3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611443 562979407 /nfs/dbraw/zinc/97/94/07/562979407.db2.gz GASQGSSPMORBTB-XIFFEERXSA-N 0 0 474.648 7.807 1 0 JKAFRN CC[NH+](CC)CCc1c[nH]c2ccc([N-]S(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 ZINC000013611725 562979467 /nfs/dbraw/zinc/97/94/67/562979467.db2.gz JVYUJTOTNLYRGJ-UHFFFAOYSA-N 0 0 476.067 6.030 1 0 JKAFRN O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000013612716 562979568 /nfs/dbraw/zinc/97/95/68/562979568.db2.gz GVEAGBAQDQCXGJ-UHFFFAOYSA-N 0 0 482.024 5.947 1 0 JKAFRN Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000013612701 562979588 /nfs/dbraw/zinc/97/95/88/562979588.db2.gz ANXIHTPJIWYRAA-UHFFFAOYSA-N 0 0 471.557 5.347 1 0 JKAFRN COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 ZINC000013612738 562979628 /nfs/dbraw/zinc/97/96/28/562979628.db2.gz FONJRDNACJFLRG-UHFFFAOYSA-N 0 0 485.540 5.154 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3occc3c1)N(c1ncc(-c3ccccn3)cn1)C2 ZINC000013612967 562979685 /nfs/dbraw/zinc/97/96/85/562979685.db2.gz YLQCRBXVRGQUBV-AREMUKBSSA-N 0 0 457.493 5.236 1 0 JKAFRN CC(=O)n1cc([C@@H]2C=C(C(=O)Nc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013634929 562979967 /nfs/dbraw/zinc/97/99/67/562979967.db2.gz GBDNDLPRUVYQTN-BTYSJIOQSA-N 0 0 496.563 5.363 3 0 JKAFRN CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000013641282 562980018 /nfs/dbraw/zinc/98/00/18/562980018.db2.gz NQPPPAJKEZYMMP-UHFFFAOYSA-N 0 0 493.539 5.207 1 0 JKAFRN CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCC2)c1-c1ccccc1 ZINC000013646646 562980749 /nfs/dbraw/zinc/98/07/49/562980749.db2.gz JHYHVDRJIABSCO-OAQYLSRUSA-N 0 0 487.644 5.464 1 0 JKAFRN C[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C(\Cl)I)[C@H]12 ZINC000013651791 562981810 /nfs/dbraw/zinc/98/18/10/562981810.db2.gz LETMXBJLOTWAIF-NKXFBKKRSA-N 0 0 472.794 5.741 1 0 JKAFRN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C(\Cl)I ZINC000013651785 562981816 /nfs/dbraw/zinc/98/18/16/562981816.db2.gz LUOIZCAYCTUDPW-XBAYZPPDSA-N 0 0 458.767 5.495 1 0 JKAFRN O=C(NCc1ccccc1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657009 562981934 /nfs/dbraw/zinc/98/19/34/562981934.db2.gz OZWQYWGPPMUKFI-BVAGGSTKSA-N 0 0 497.513 5.445 3 0 JKAFRN CN(C[C@H](c1ccccc1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659521 562981994 /nfs/dbraw/zinc/98/19/94/562981994.db2.gz ZWCLSVMAQIHQDS-IZZNHLLZSA-N 0 0 474.565 5.162 3 0 JKAFRN CN(C[C@H](CC1CCCCC1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659524 562981995 /nfs/dbraw/zinc/98/19/95/562981995.db2.gz KFKYVLCJUYSHRF-SVBPBHIXSA-N 0 0 494.640 5.759 3 0 JKAFRN CN(C[C@H](Cc1ccccc1)N(C[C@H](Cc1ccccc1)N(CCC(C)(C)C)N=O)N=O)N=O ZINC000013659580 562981996 /nfs/dbraw/zinc/98/19/96/562981996.db2.gz JJMKHBIIDLRCAU-ZEQRLZLVSA-N 0 0 468.602 5.225 3 0 JKAFRN Cc1cc(C)cc(SCc2noc(C(=O)NCc3ccccc3)c2C(=O)NCc2ccccc2)c1 ZINC000013657550 562982052 /nfs/dbraw/zinc/98/20/52/562982052.db2.gz WSOHDMUMGSTCQX-UHFFFAOYSA-N 0 0 485.609 5.444 3 0 JKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 ZINC000013660384 562982102 /nfs/dbraw/zinc/98/21/02/562982102.db2.gz VSUKHJKFPICFEG-HXUWFJFHSA-N 0 0 452.885 6.710 3 0 JKAFRN COc1ccc(-c2ccc(C(C)=O)cc2)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013661866 562982415 /nfs/dbraw/zinc/98/24/15/562982415.db2.gz XKZJGHRUADKFCX-DEDOGFMKSA-N 0 0 465.593 6.621 3 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013661901 562982465 /nfs/dbraw/zinc/98/24/65/562982465.db2.gz QJLHGNUMZRQIHJ-SBJBRADRSA-N 0 0 453.582 6.283 3 0 JKAFRN COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1C ZINC000013661903 562982470 /nfs/dbraw/zinc/98/24/70/562982470.db2.gz ATOQMFFMCNHTCK-WFGXUNSGSA-N 0 0 455.573 6.722 3 0 JKAFRN COC(=O)c1ccc(-c2ccc(OC)c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c2)cc1 ZINC000013661970 562982481 /nfs/dbraw/zinc/98/24/81/562982481.db2.gz DBZJHEYHUYZQMI-SBJBRADRSA-N 0 0 481.592 6.061 3 0 JKAFRN CCCOC(=O)c1c(CCSC(C)=O)c(C(=O)SCC)c(CC)nc1-c1ccccc1 ZINC000013672389 562982673 /nfs/dbraw/zinc/98/26/73/562982673.db2.gz DONYRDTYANPRKL-UHFFFAOYSA-N 0 0 459.633 5.593 1 0 JKAFRN CC(C(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21)(c1ccccc1)c1ccccc1 ZINC000013672424 562982703 /nfs/dbraw/zinc/98/27/03/562982703.db2.gz QESVVQLGDLITOU-UHFFFAOYSA-N 0 0 493.954 6.136 1 0 JKAFRN CC(C)(C)OC(=O)NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn21 ZINC000013672438 562982710 /nfs/dbraw/zinc/98/27/10/562982710.db2.gz AXNAZVNXRUWDTF-UHFFFAOYSA-N 0 0 498.971 5.215 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(O)c2)[C@H]1O ZINC000013673024 562982736 /nfs/dbraw/zinc/98/27/36/562982736.db2.gz MNUCZVZYUTVEJV-JWQCQUIFSA-N 0 0 459.652 5.105 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(C(F)(F)F)cc4)cn3)[C@H]12 ZINC000013673160 562982851 /nfs/dbraw/zinc/98/28/51/562982851.db2.gz RNFCGHVXHFGZTK-NWLSSWCYSA-N 0 0 455.520 6.785 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(F)c(F)c2)[C@H]1O ZINC000013673035 562982867 /nfs/dbraw/zinc/98/28/67/562982867.db2.gz UODINYVAOXMZAK-JWQCQUIFSA-N 0 0 479.633 5.678 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(OC)c2)[C@H]1O ZINC000013673026 562982870 /nfs/dbraw/zinc/98/28/70/562982870.db2.gz MBFOYWOWNISNRT-CLJLJLNGSA-N 0 0 473.679 5.408 1 0 JKAFRN COC(=O)c1cc(/C(=C\CCN2CCOC2=O)c2cc(F)cc(C(F)(F)F)c2)cc(C)c1OC ZINC000013673834 562982913 /nfs/dbraw/zinc/98/29/13/562982913.db2.gz WYIJBRAVLZYNKO-PTXOJBNSSA-N 0 0 481.442 5.222 1 0 JKAFRN COC(=O)CCC/C=C(/c1cc2c(=O)n(C)oc2c(C)c1)c1cc(F)cc(C(F)(F)F)c1 ZINC000013673859 562982914 /nfs/dbraw/zinc/98/29/14/562982914.db2.gz AOVCRSVOCRZBMP-FXBPXSCXSA-N 0 0 451.416 5.373 1 0 JKAFRN Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1 ZINC000013673646 562982935 /nfs/dbraw/zinc/98/29/35/562982935.db2.gz GXKSGTIXGWDSGJ-UHFFFAOYSA-N 0 0 461.444 6.051 1 0 JKAFRN COC(=O)CCC/C=C(\c1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000013673848 562982936 /nfs/dbraw/zinc/98/29/36/562982936.db2.gz OJHAIQKBVGZSDE-UBKPWBPPSA-N 0 0 488.861 6.068 1 0 JKAFRN CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000013673692 562982940 /nfs/dbraw/zinc/98/29/40/562982940.db2.gz RRDYFNCNBSDAMX-UHFFFAOYSA-N 0 0 457.481 6.166 1 0 JKAFRN CCCCCCc1ccc(OCCCCCCCCCCCCCCCC(=O)NCCO)cc1O ZINC000013676042 562983259 /nfs/dbraw/zinc/98/32/59/562983259.db2.gz DGMYFYIJRPLHFW-UHFFFAOYSA-N 0 0 491.757 7.464 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676243 562983364 /nfs/dbraw/zinc/98/33/64/562983364.db2.gz SLQRVPXFPHDCHR-UHFFFAOYSA-N 0 0 494.614 6.776 1 0 JKAFRN O=C1[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000013680158 562984121 /nfs/dbraw/zinc/98/41/21/562984121.db2.gz WIFMWPHYILJXFS-LJQANCHMSA-N 0 0 476.157 6.470 1 0 JKAFRN O=C1[C@H](c2ccccc2)N(c2ccc(Cl)c(Cl)c2)C(=S)N1c1ccc(Cl)c(Cl)c1 ZINC000013680170 562984126 /nfs/dbraw/zinc/98/41/26/562984126.db2.gz URVBWPFMFFHCMF-IBGZPJMESA-N 0 0 482.219 7.180 1 0 JKAFRN CC(C)CC(C/C=C1/C[C@@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O)CC(C)C ZINC000013684011 562984310 /nfs/dbraw/zinc/98/43/10/562984310.db2.gz YNSHOHKDVJINOC-BINCUHGQSA-N 0 0 466.703 6.331 1 0 JKAFRN O=C([O-])[C@H]1CCC[N@H+](CCO[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000013729429 562985141 /nfs/dbraw/zinc/98/51/41/562985141.db2.gz IECCVNACZVCBPJ-JXFKEZNVSA-N 0 0 476.322 5.915 1 0 JKAFRN COC(=O)[C@@H]1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731595 562985232 /nfs/dbraw/zinc/98/52/32/562985232.db2.gz HBYCXPJLNWQOSJ-LJAQVGFWSA-N 0 0 475.588 5.536 1 0 JKAFRN COC(=O)[C@H]1Cc2c(Cc3ccccc3)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731598 562985248 /nfs/dbraw/zinc/98/52/48/562985248.db2.gz HBYCXPJLNWQOSJ-GDLZYMKVSA-N 0 0 475.588 5.536 1 0 JKAFRN COC(=O)c1ccc2c(c1)[C@H](C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 ZINC000013735248 562985748 /nfs/dbraw/zinc/98/57/48/562985748.db2.gz CCKPSQMDQXIBOG-AREMUKBSSA-N 0 0 457.570 6.383 1 0 JKAFRN Cc1ccc2c(c1)[C@@H](C(=O)Nc1c(Br)cccc1Br)c1ccccc1CO2 ZINC000013735120 562985817 /nfs/dbraw/zinc/98/58/17/562985817.db2.gz DESUQKQHSZBCCF-FQEVSTJZSA-N 0 0 487.191 6.183 1 0 JKAFRN CC[C@]1(CCCc2ccccc2)C(=O)N(c2c(OC)cc(OC)cc2OC)[C@@H]1c1ccccc1 ZINC000013737031 562985913 /nfs/dbraw/zinc/98/59/13/562985913.db2.gz DAYZPZNGHCSPDD-XRKRLSELSA-N 0 0 459.586 6.220 1 0 JKAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000013736229 562985916 /nfs/dbraw/zinc/98/59/16/562985916.db2.gz BYQRFLXQLXLHND-QHCPKHFHSA-N 0 0 466.459 5.271 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 ZINC000013737201 562986037 /nfs/dbraw/zinc/98/60/37/562986037.db2.gz BZQUDOMFVKTGJL-NDEPHWFRSA-N 0 0 494.639 6.774 1 0 JKAFRN CC(C)=CCC[C@@H](C)CC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737152 562986057 /nfs/dbraw/zinc/98/60/57/562986057.db2.gz UDKPHCIJEBYGKN-YWEHKCAJSA-N 0 0 491.720 7.685 1 0 JKAFRN COc1ccc(C(=O)N[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)C2CCCCC2)cc1 ZINC000013737244 562986105 /nfs/dbraw/zinc/98/61/05/562986105.db2.gz DXEICVTUHFUXAA-AREMUKBSSA-N 0 0 479.665 6.442 1 0 JKAFRN CN(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccc(Oc3ccc(F)cc3)cc21 ZINC000013737526 562986108 /nfs/dbraw/zinc/98/61/08/562986108.db2.gz CXQSUCQDSBTFGO-DHLKQENFSA-N 0 0 490.560 5.084 1 0 JKAFRN COc1ccc(C(=O)N[C@@](C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1 ZINC000013737246 562986109 /nfs/dbraw/zinc/98/61/09/562986109.db2.gz FJUPVSKJDPGCRW-LJAQVGFWSA-N 0 0 488.632 5.804 1 0 JKAFRN COc1ccc(C(=O)NC2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCCC2)cc1 ZINC000013737240 562986123 /nfs/dbraw/zinc/98/61/23/562986123.db2.gz WGWOVEMVZBTANE-UHFFFAOYSA-N 0 0 451.611 5.806 1 0 JKAFRN Cc1cc(Cl)cc2c1ncc(NC(=O)Nc1ccc(F)cc1F)c2-c1ccccc1Cl ZINC000013737650 562986191 /nfs/dbraw/zinc/98/61/91/562986191.db2.gz NRFHTLXNXGCPJE-UHFFFAOYSA-N 0 0 458.295 7.439 1 0 JKAFRN Cc1cc(C)c2ncc(NC(=O)Nc3c(F)cc(F)cc3F)c(-c3ccccc3Cl)c2c1 ZINC000013737648 562986207 /nfs/dbraw/zinc/98/62/07/562986207.db2.gz SJMJDMQSMSNGSP-UHFFFAOYSA-N 0 0 455.867 7.233 1 0 JKAFRN O=C([O-])[C@@H]1CCC[N@H+](CCOC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000013737901 562986286 /nfs/dbraw/zinc/98/62/86/562986286.db2.gz GTKDQZXNADEHML-LJQANCHMSA-N 0 0 469.503 5.209 1 0 JKAFRN COc1ccc(C(OCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000013737907 562986362 /nfs/dbraw/zinc/98/63/62/562986362.db2.gz GWNRSBOBHVFWSC-HXUWFJFHSA-N 0 0 481.539 5.079 1 0 JKAFRN CCCc1nc(C)n2nc(-c3ccccc3)nc2c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013737994 562986432 /nfs/dbraw/zinc/98/64/32/562986432.db2.gz SIHMVADARGRZID-UHFFFAOYSA-N 0 0 486.583 5.490 1 0 JKAFRN CCCCCc1ccc(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)cc1 ZINC000013740000 562986671 /nfs/dbraw/zinc/98/66/71/562986671.db2.gz PUXNQCLBRNNPHW-UHFFFAOYSA-N 0 0 486.660 5.292 1 0 JKAFRN CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@H]1Cc1c[nH]c2ccccc12 ZINC000013740640 562986824 /nfs/dbraw/zinc/98/68/24/562986824.db2.gz ICBSQYXTXCHQCY-SFHVURJKSA-N 0 0 469.385 5.211 1 0 JKAFRN CS(=O)(=O)Nc1ccc(C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000013741227 562987051 /nfs/dbraw/zinc/98/70/51/562987051.db2.gz IPHXLAOYTYAEFX-HHHXNRCGSA-N 0 0 484.621 5.290 1 0 JKAFRN Cc1cn2c(n1)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=Nc1cc(Cl)c(Cl)cc1-2 ZINC000013743156 562987566 /nfs/dbraw/zinc/98/75/66/562987566.db2.gz VSSLLBNOROTXBE-UHFFFAOYSA-N 0 0 473.367 6.207 1 0 JKAFRN Cc1nc2cnccc2n1-c1ccc(C2=Nc3cc(Cl)c(Cl)cc3NC(=S)C2)cc1 ZINC000013743144 562987573 /nfs/dbraw/zinc/98/75/73/562987573.db2.gz XGGMIFIFZUUOFF-UHFFFAOYSA-N 0 0 452.370 6.300 1 0 JKAFRN Cc1nc2cnccc2n1-c1ccc([C@H]2Cc3cc(Cl)c(Cl)cc3N(C)C(=O)C2)cc1 ZINC000013743149 562987590 /nfs/dbraw/zinc/98/75/90/562987590.db2.gz QJGPDQXLXVZMSB-INIZCTEOSA-N 0 0 451.357 5.729 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(Br)c1 ZINC000013742750 562987596 /nfs/dbraw/zinc/98/75/96/562987596.db2.gz WCJXCTSAODIMPY-QKONGSNMSA-N 0 0 471.439 5.301 1 0 JKAFRN CCc1cc(-c2cccc(C(F)(F)F)c2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1 ZINC000013744118 562987834 /nfs/dbraw/zinc/98/78/34/562987834.db2.gz GBQJYQUQMXHDLH-UHFFFAOYSA-N 0 0 462.516 6.071 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccc(Cl)cc1)c1ccccc1 ZINC000013744146 562987840 /nfs/dbraw/zinc/98/78/40/562987840.db2.gz XHMYFSCRFMFUSG-HMILPKGGSA-N 0 0 490.003 5.926 1 0 JKAFRN CCCOCCCCCCOc1ccc(C(=O)Nc2c3c(c(C)cc2C)CC(C)(C)O3)cc1 ZINC000013747658 562988457 /nfs/dbraw/zinc/98/84/57/562988457.db2.gz VRKDKUGWQZIWGZ-UHFFFAOYSA-N 0 0 453.623 6.635 1 0 JKAFRN CCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 ZINC000013755591 562988555 /nfs/dbraw/zinc/98/85/55/562988555.db2.gz ZBXBGWZPYAXZAT-UHFFFAOYSA-N 0 0 457.559 5.211 1 0 JKAFRN FC(F)(F)c1cccc(N2CCN(c3nc4sc(-c5ccccc5)cc4n4cccc34)CC2)c1 ZINC000013755982 562988562 /nfs/dbraw/zinc/98/85/62/562988562.db2.gz VFBDQDRLYCWTOU-UHFFFAOYSA-N 0 0 478.543 6.561 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@]4(O)CCO[C@H](O)C4)c3)ccc1c2-c1ccccc1 ZINC000013759137 562989069 /nfs/dbraw/zinc/98/90/69/562989069.db2.gz RTLMHTRDUPKBKK-FIBWVYCGSA-N 0 0 482.532 5.073 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@]4(O)CCO[C@@H](O)C4)c3)ccc1c2-c1ccccc1 ZINC000013759138 562989119 /nfs/dbraw/zinc/98/91/19/562989119.db2.gz RTLMHTRDUPKBKK-OFSOJUDTSA-N 0 0 482.532 5.073 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@@]4(O)C[C@@H]5OC[C@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759190 562989152 /nfs/dbraw/zinc/98/91/52/562989152.db2.gz ZDDCWWYSBQWYQR-UTVTVZQCSA-N 0 0 494.543 5.479 1 0 JKAFRN C[C@H]1OC(=O)c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccccc3)c21 ZINC000013759147 562989181 /nfs/dbraw/zinc/98/91/81/562989181.db2.gz KKLLLNTVAVCEMS-HXUWFJFHSA-N 0 0 480.560 6.315 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1 ZINC000013759900 562989408 /nfs/dbraw/zinc/98/94/08/562989408.db2.gz UEIHDSHLJMYCBQ-XMMPIXPASA-N 0 0 470.057 6.816 1 0 JKAFRN COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](OC(=O)c1ccccc1)CC2 ZINC000013761345 562989907 /nfs/dbraw/zinc/98/99/07/562989907.db2.gz CWARTOYHSULRGH-OAQYLSRUSA-N 0 0 478.566 5.306 1 0 JKAFRN COc1ccc([C@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000013761452 562989913 /nfs/dbraw/zinc/98/99/13/562989913.db2.gz CPXPSOCKTSIDJD-VWLOTQADSA-N 0 0 485.319 5.129 1 0 JKAFRN COc1ccc([C@@]2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000013761525 562990063 /nfs/dbraw/zinc/99/00/63/562990063.db2.gz PSQUTAPWIOSUQU-WJOKGBTCSA-N 0 0 492.527 5.489 1 0 JKAFRN COc1c(Cl)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000013762154 562990292 /nfs/dbraw/zinc/99/02/92/562990292.db2.gz VJSAEWIULVXARB-UHFFFAOYSA-N 0 0 465.280 5.277 1 0 JKAFRN CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 ZINC000013765532 562990541 /nfs/dbraw/zinc/99/05/41/562990541.db2.gz XSYYUVNSBNMFQP-UHFFFAOYSA-N 0 0 472.338 6.518 1 0 JKAFRN Clc1ccc(CO[C@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2ccnc2)c(Cl)c1 ZINC000013775800 562990715 /nfs/dbraw/zinc/99/07/15/562990715.db2.gz AGWSGJRKEVNFSN-IEBWSBKVSA-N 0 0 460.213 6.929 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCCC1 ZINC000013776509 562990893 /nfs/dbraw/zinc/99/08/93/562990893.db2.gz VHSGXNKZBJSLRB-VGAPYCQSSA-N 0 0 491.676 5.859 1 0 JKAFRN C[C@@H]1CCCC[C@H]1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776540 562990900 /nfs/dbraw/zinc/99/09/00/562990900.db2.gz KPCQGKBAMIZDQX-RZEYSUTGSA-N 0 0 491.676 5.715 1 0 JKAFRN C[C@H]1CCCC[C@H]1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000013776543 562990947 /nfs/dbraw/zinc/99/09/47/562990947.db2.gz KPCQGKBAMIZDQX-GILHUPSRSA-N 0 0 491.676 5.715 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cc(F)cc(Br)c1)Oc1ccccc1-3 ZINC000013777134 562991180 /nfs/dbraw/zinc/99/11/80/562991180.db2.gz YFNBIUHMEJNYNB-XMMPIXPASA-N 0 0 450.351 7.344 1 0 JKAFRN Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 ZINC000013780028 562991673 /nfs/dbraw/zinc/99/16/73/562991673.db2.gz YNHNTIWPKSQSOZ-UHFFFAOYSA-N 0 0 473.935 6.050 1 0 JKAFRN COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 ZINC000013780030 562991708 /nfs/dbraw/zinc/99/17/08/562991708.db2.gz KYYYGMCGDBPAIF-UHFFFAOYSA-N 0 0 471.944 5.611 1 0 JKAFRN Cc1nc(-c2cccc(CN(C(=O)Nc3c(C)cc(C)cc3C)C3CCCCCC3)c2)cs1 ZINC000013779991 562991724 /nfs/dbraw/zinc/99/17/24/562991724.db2.gz RCQVXWILKCRFMY-UHFFFAOYSA-N 0 0 461.675 7.801 1 0 JKAFRN CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(-c2cc[nH]n2)cc1)C1CCCCCC1 ZINC000013780003 562991732 /nfs/dbraw/zinc/99/17/32/562991732.db2.gz RXLJEADEYQHTHF-UHFFFAOYSA-N 0 0 495.718 6.981 1 0 JKAFRN Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C ZINC000013780023 562991743 /nfs/dbraw/zinc/99/17/43/562991743.db2.gz DRCJSVOKCHFWFD-UHFFFAOYSA-N 0 0 469.972 6.219 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC[C@@H](C)CC ZINC000013780878 562991951 /nfs/dbraw/zinc/99/19/51/562991951.db2.gz SCDPEFZDCHRATC-ONLLFZDPSA-N 0 0 488.669 5.139 1 0 JKAFRN O=C1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000013782677 562992603 /nfs/dbraw/zinc/99/26/03/562992603.db2.gz OTORCCAXHMWROC-FIRIVFDPSA-N 0 0 488.631 6.306 1 0 JKAFRN O=C1N(Cc2ccccc2)[C@H](/C=C/c2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000013782659 562992621 /nfs/dbraw/zinc/99/26/21/562992621.db2.gz RARDCAYFHJNXRJ-IIOHFFPZSA-N 0 0 488.631 6.179 1 0 JKAFRN COC(=O)C/C=C/[C@H](C)[C@H](OCc1cccc(Br)c1)[C@H](C)[C@@H](OC)C1CCCCC1 ZINC000013783011 562992769 /nfs/dbraw/zinc/99/27/69/562992769.db2.gz WLQAURNMRHIGBI-VJPZSURPSA-N 0 0 481.471 6.321 1 0 JKAFRN CCN(CC)c1cc(C)nc(N(CC)c2ccc(I)cc2Br)n1 ZINC000013794469 562992964 /nfs/dbraw/zinc/99/29/64/562992964.db2.gz BEDIYAIJWSUPPK-UHFFFAOYSA-N 0 0 489.199 5.156 1 0 JKAFRN CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(Br)cc2OC)n1 ZINC000013794503 562992976 /nfs/dbraw/zinc/99/29/76/562992976.db2.gz JRXMFXJPBXGXPF-UHFFFAOYSA-N 0 0 472.225 5.323 1 0 JKAFRN COCCN(Cc1ccccc1)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br ZINC000013794738 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1 0 JKAFRN CS(=O)(=O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1 ZINC000014945517 563006572 /nfs/dbraw/zinc/00/65/72/563006572.db2.gz XJMQITDMHCHBBA-UHFFFAOYSA-N 0 0 460.342 5.019 1 0 JKAFRN CS(=O)(=O)c1cccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)c1 ZINC000014945518 563006580 /nfs/dbraw/zinc/00/65/80/563006580.db2.gz CIRBRXZGDPMOBM-UHFFFAOYSA-N 0 0 460.342 5.019 1 0 JKAFRN Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)n(-c1ccc3ccccc3c1)c(=O)n2C ZINC000014955688 563007346 /nfs/dbraw/zinc/00/73/46/563007346.db2.gz YROGJKAARBJJGF-GDLZYMKVSA-N 0 0 494.982 5.154 1 0 JKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Oc1ncccc1-c1ccncn1 ZINC000014957216 563007934 /nfs/dbraw/zinc/00/79/34/563007934.db2.gz PSDTVRBCPBZBIK-UHFFFAOYSA-N 0 0 450.420 5.910 1 0 JKAFRN COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1 ZINC000014957224 563007952 /nfs/dbraw/zinc/00/79/52/563007952.db2.gz ZHGVDHRJPICWON-UHFFFAOYSA-N 0 0 480.446 5.919 1 0 JKAFRN CC(C)CN1CC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)C1 ZINC000014959691 563008277 /nfs/dbraw/zinc/00/82/77/563008277.db2.gz RZIQGXBHLUAODK-UHFFFAOYSA-N 0 0 469.010 5.130 1 0 JKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000014959458 563008293 /nfs/dbraw/zinc/00/82/93/563008293.db2.gz LQDWIZNKPVLTTR-QFIPXVFZSA-N 0 0 454.570 5.846 1 0 JKAFRN COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)ccc2[nH]1 ZINC000014965504 563009095 /nfs/dbraw/zinc/00/90/95/563009095.db2.gz LILVTHVLIRBXAU-UHFFFAOYSA-N 0 0 463.519 5.899 1 0 JKAFRN CC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)nc3)ccc2[nH]1 ZINC000014965540 563009233 /nfs/dbraw/zinc/00/92/33/563009233.db2.gz BDUFSIJFMWAXAX-UHFFFAOYSA-N 0 0 488.401 5.511 1 0 JKAFRN Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OC(=O)c2ccc3ccccc3c21 ZINC000014968907 563009505 /nfs/dbraw/zinc/00/95/05/563009505.db2.gz ZVPGVHLZYWNODB-UHFFFAOYSA-N 0 0 480.604 7.577 1 0 JKAFRN O=C(NCCNc1ccc(F)cc1)[C@H](CC1CCCCC1)Nc1nc2cc(Cl)ccc2o1 ZINC000014971591 563009742 /nfs/dbraw/zinc/00/97/42/563009742.db2.gz UVIURDAJPPTIKT-NRFANRHFSA-N 0 0 458.965 5.600 1 0 JKAFRN C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 ZINC000014971638 563009822 /nfs/dbraw/zinc/00/98/22/563009822.db2.gz CCRYLYQFZRTTLY-SBUREZEXSA-N 0 0 499.030 5.939 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(C)cc3)=NN2C(=O)c2c(F)cc(F)cc2F)c1OC ZINC000014972826 563009951 /nfs/dbraw/zinc/00/99/51/563009951.db2.gz JBJCOXFQDYYDCT-DEOSSOPVSA-N 0 0 472.488 5.679 1 0 JKAFRN O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(F)cc2)S[C@@H]1c1ccccc1OC(F)F ZINC000014972855 563009957 /nfs/dbraw/zinc/00/99/57/563009957.db2.gz NEYYMHOBVMYCFZ-OAQYLSRUSA-N 0 0 482.405 6.094 1 0 JKAFRN CC(C)(C)c1ccc(CNC(=S)N[C@H](c2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000014973384 563010054 /nfs/dbraw/zinc/01/00/54/563010054.db2.gz YRXUZPVHEODWGY-XMMPIXPASA-N 0 0 499.677 5.248 1 0 in-vitro JKAFRN COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc21 ZINC000014975423 563010296 /nfs/dbraw/zinc/01/02/96/563010296.db2.gz PUPCRRRSBUYJAD-UHFFFAOYSA-N 0 0 453.296 5.492 1 0 JKAFRN COc1ccc(-c2[nH]c3ccccc3c2CCNS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000014978367 563010767 /nfs/dbraw/zinc/01/07/67/563010767.db2.gz UZSQEWGGVBQCFO-UHFFFAOYSA-N 0 0 482.605 6.032 1 0 JKAFRN CCCCCc1ccc(S(=O)(=O)NCCc2c3ccccc3[nH]c2-c2ccc(OC)cc2)cc1 ZINC000014978362 563010790 /nfs/dbraw/zinc/01/07/90/563010790.db2.gz QPPGBQZMRXYHGF-UHFFFAOYSA-N 0 0 476.642 6.097 1 0 JKAFRN O=S(=O)(NCCc1c2ccccc2[nH]c1-c1cc2ccccc2o1)c1ccc(Br)cc1 ZINC000014978407 563010854 /nfs/dbraw/zinc/01/08/54/563010854.db2.gz JAFPRWOLDWITNS-UHFFFAOYSA-N 0 0 495.398 5.865 1 0 JKAFRN CC(C)=CCc1cc([C@@H]2CC(=O)c3cc(CC=C(C)C)c(O)c(CC=C(C)C)c3O2)ccc1O ZINC000015118351 563011192 /nfs/dbraw/zinc/01/11/92/563011192.db2.gz PEALLWJXGZSLMC-NDEPHWFRSA-N 0 0 460.614 7.330 1 0 JKAFRN CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1cc3c(cc1O)OC(C)(C)C=C3)O2 ZINC000015205888 563011251 /nfs/dbraw/zinc/01/12/51/563011251.db2.gz HBUKGWAZEVMVBC-VWLOTQADSA-N 0 0 490.596 6.712 1 0 JKAFRN CCCC[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000015224139 563011384 /nfs/dbraw/zinc/01/13/84/563011384.db2.gz LIESSMOAVHAECP-DEOSSOPVSA-N 0 0 453.475 6.780 1 0 JKAFRN Cc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c4ccccc4nc3C(F)(F)F)n2)cc1 ZINC000015924916 563011776 /nfs/dbraw/zinc/01/17/76/563011776.db2.gz BHGNMJSDBYRLKR-OAQYLSRUSA-N 0 0 499.562 5.272 3 0 JKAFRN COc1ccc(/C=C/c2c3cc(N4CCOCC4)ccc3sc2-c2ccc(OC)cc2)cc1 ZINC000015934061 563011859 /nfs/dbraw/zinc/01/18/59/563011859.db2.gz RXYODGHBSSODNF-WLRTZDKTSA-N 0 0 457.595 6.593 3 0 JKAFRN COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2-c2ccc(OC)nc2)cc1 ZINC000015934077 563011864 /nfs/dbraw/zinc/01/18/64/563011864.db2.gz DLBNJMXVSNIEMX-UHFFFAOYSA-N 0 0 497.547 6.872 3 0 JKAFRN COC(=O)c1ccc(/C=C/c2c3cc(N4CCOCC4)ccc3oc2-c2ccc(OC)cc2)cc1 ZINC000015933822 563011869 /nfs/dbraw/zinc/01/18/69/563011869.db2.gz QSUAXYMLTVPZQT-WLRTZDKTSA-N 0 0 469.537 5.902 3 0 JKAFRN C[C@@]12C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@H]2c1ccccc1 ZINC000015935733 563012030 /nfs/dbraw/zinc/01/20/30/563012030.db2.gz XOQZPPBLXLNPIR-HUBRGWSESA-N 0 0 478.470 5.780 3 0 JKAFRN O=C(N[C@@H]1CCC(=O)N(CC[C@H](Sc2ccccc2)c2ccccc2)CC1)OCc1ccccc1 ZINC000015937348 563012288 /nfs/dbraw/zinc/01/22/88/563012288.db2.gz GQNNAUSLPBVPRI-VPUSJEBWSA-N 0 0 488.653 6.218 3 0 JKAFRN CCCCCCc1ccc(N2C[C@H](CCCCC)[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1 ZINC000015937332 563012310 /nfs/dbraw/zinc/01/23/10/563012310.db2.gz JXTLRMMLIYMTPO-XTEPFMGCSA-N 0 0 462.678 6.675 3 0 JKAFRN CCCn1c2ccccc2nc1[C@@H]1CCCN1c1nc(-c2cccc(Br)c2)cs1 ZINC000015937206 563012343 /nfs/dbraw/zinc/01/23/43/563012343.db2.gz WJVPSBXUMVWKOM-NRFANRHFSA-N 0 0 467.436 6.674 3 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000016569227 563013064 /nfs/dbraw/zinc/01/30/64/563013064.db2.gz BRTJWZZNJHPWAH-MHZLTWQESA-N 0 0 459.590 5.207 1 0 JKAFRN CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)CC(C)(C)C ZINC000016569399 563013126 /nfs/dbraw/zinc/01/31/26/563013126.db2.gz JZFTULYYOXZLRD-MHZLTWQESA-N 0 0 461.581 5.726 1 0 JKAFRN COc1ccccc1N[C@@H]1Oc2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1C)OCO3 ZINC000016958768 563013327 /nfs/dbraw/zinc/01/33/27/563013327.db2.gz VADYNSKBISMIIG-WEIJYDJMSA-N 0 0 479.529 5.048 1 0 JKAFRN Cc1ccc([S@](=O)OCc2c(C)c(C)c(CO[S@](=O)c3ccc(C)cc3)c(C)c2C)cc1 ZINC000017190079 563013532 /nfs/dbraw/zinc/01/35/32/563013532.db2.gz NZXOYAXVOGYOLE-MEKGRNQZSA-N 0 0 470.656 6.016 1 0 JKAFRN COc1ccccc1N[C@@H]1Oc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C)OCO3 ZINC000017258286 563013990 /nfs/dbraw/zinc/01/39/90/563013990.db2.gz VADYNSKBISMIIG-NOLQYNELSA-N 0 0 479.529 5.048 1 0 JKAFRN O=C1CSC2=NC3=C(CSC/C3=C\c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000017254586 563014061 /nfs/dbraw/zinc/01/40/61/563014061.db2.gz HSKGUULHAMLQAG-ZVYZCIRASA-N 0 0 459.423 6.064 1 0 JKAFRN COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC ZINC000019770246 563015173 /nfs/dbraw/zinc/01/51/73/563015173.db2.gz WRVWMYCOZDLSHX-KDYSTLNUSA-N 0 0 475.585 6.105 1 0 JKAFRN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccco3)CC2=O)N1 ZINC000020324100 563015954 /nfs/dbraw/zinc/01/59/54/563015954.db2.gz OOUQFJJUJVRKSR-OSOCVKALSA-N 0 0 491.584 5.991 1 0 JKAFRN Cc1cnc(SC[C@H]2CCCO2)nc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)cs2)C1 ZINC000020450565 563016105 /nfs/dbraw/zinc/01/61/05/563016105.db2.gz GRGGIYDUJRKSKM-NHCUHLMSSA-N 0 0 466.676 5.559 1 0 JKAFRN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]1c1cccs1 ZINC000020507997 563016246 /nfs/dbraw/zinc/01/62/46/563016246.db2.gz LLNUOJJEYOIBRY-RTWAWAEBSA-N 0 0 458.942 5.106 1 0 JKAFRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2)cc1 ZINC000020570616 563016262 /nfs/dbraw/zinc/01/62/62/563016262.db2.gz GCLWMXFGAQJDPS-UHFFFAOYSA-N 0 0 484.002 5.825 1 0 JKAFRN O=C1c2ccccc2CC[C@@H]1CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022927629 563017907 /nfs/dbraw/zinc/01/79/07/563017907.db2.gz GCZFLVUNYTXZNH-RUZDIDTESA-N 0 0 490.594 5.134 1 0 JKAFRN CCCC[NH+](CCCC)CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000022938262 563019235 /nfs/dbraw/zinc/01/92/35/563019235.db2.gz NTDJNMLCXZGTQA-SAAIGDAKSA-N 0 0 496.648 5.167 1 0 JKAFRN Fc1ccc(C(OCCN2CCN(Cc3cc4ccccc4o3)CC2)c2ccc(F)cc2)cc1 ZINC000022938627 563019276 /nfs/dbraw/zinc/01/92/76/563019276.db2.gz SBTDJHOMUMWMRI-UHFFFAOYSA-N 0 0 462.540 5.635 1 0 JKAFRN Fc1ccc(C(OCCN2CCN(C[C@H](F)Cc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000023360845 563020184 /nfs/dbraw/zinc/02/01/84/563020184.db2.gz VXDRWSRRRHADME-HHHXNRCGSA-N 0 0 468.563 5.269 1 0 JKAFRN Cc1cc(CN2CCC(Nc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)no1 ZINC000024903536 563020319 /nfs/dbraw/zinc/02/03/19/563020319.db2.gz NATMASVBGGMASB-UHFFFAOYSA-N 0 0 473.524 5.750 1 0 JKAFRN CCCCN(C(C)=O)[S@](=O)(=NC(=O)N(C(C)=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000025974943 563020738 /nfs/dbraw/zinc/02/07/38/563020738.db2.gz AFPBLOZNCMTSPE-WJOKGBTCSA-N 0 0 463.987 5.212 1 0 JKAFRN COC(=O)C(C)(C)CCCCCOc1ccccc1OCCCCCC(C)(C)C(=O)OC ZINC000025974818 563020777 /nfs/dbraw/zinc/02/07/77/563020777.db2.gz SYOURNKGHNJSNJ-UHFFFAOYSA-N 0 0 450.616 5.963 1 0 JKAFRN CCC(=O)[C@H](Nc1ccc(Cl)cc1)N[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025976020 563020784 /nfs/dbraw/zinc/02/07/84/563020784.db2.gz XAQPOFUAMZOHGZ-TZIWHRDSSA-N 0 0 451.785 5.592 1 0 JKAFRN COC(=O)C(C)(C)CCCOc1cc(OCCCC(C)(C)C(=O)OC)cc(-c2ccccc2)c1 ZINC000025977977 563020841 /nfs/dbraw/zinc/02/08/41/563020841.db2.gz MWKIGRHJUSKYJR-UHFFFAOYSA-N 0 0 470.606 6.070 1 0 JKAFRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)C[C@H]1C[C@H](OC(C)=O)[C@@]3(C)CC[C@]12C3 ZINC000025993833 563021205 /nfs/dbraw/zinc/02/12/05/563021205.db2.gz RTHGVANMIQDPPO-HUYITZDLSA-N 0 0 496.644 5.730 1 0 JKAFRN CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1c(Br)cc(OC)cc1OC ZINC000026002099 563021356 /nfs/dbraw/zinc/02/13/56/563021356.db2.gz SOQZRDMTIDEGHI-UHFFFAOYSA-N 0 0 496.327 6.409 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000026003752 563021383 /nfs/dbraw/zinc/02/13/83/563021383.db2.gz KROOXOREYNBREM-UHFFFAOYSA-N 0 0 478.356 7.515 1 0 JKAFRN CC(C)(C)C(=O)Oc1coc(COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1=O ZINC000026003179 563021420 /nfs/dbraw/zinc/02/14/20/563021420.db2.gz NNNIKWBDQIKPNY-UHFFFAOYSA-N 0 0 468.549 6.100 1 0 JKAFRN COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2N)c(OC)c1 ZINC000026005461 563021442 /nfs/dbraw/zinc/02/14/42/563021442.db2.gz SKWRPKFNOGMRDP-UHFFFAOYSA-N 0 0 483.288 5.576 1 0 JKAFRN O=C1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 ZINC000026005129 563021515 /nfs/dbraw/zinc/02/15/15/563021515.db2.gz ISQDVMUTSRLLQF-SJLPKXTDSA-N 0 0 459.116 5.695 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccccc2C(F)(F)F)n1 ZINC000026006565 563021600 /nfs/dbraw/zinc/02/16/00/563021600.db2.gz ICJLTUMDXNLFPV-UHFFFAOYSA-N 0 0 478.356 7.515 1 0 JKAFRN CCN(c1nc(C)cc(-c2ccccc2OC)n1)c1c(Br)cc(OC)cc1OC ZINC000026006477 563021613 /nfs/dbraw/zinc/02/16/13/563021613.db2.gz BLZURCDEJGRCOY-UHFFFAOYSA-N 0 0 458.356 5.398 1 0 JKAFRN CC1(C)CC2(CC(C)(C)c3cc(Br)c(O)cc32)c2cc(O)c(Br)cc21 ZINC000026160562 563022811 /nfs/dbraw/zinc/02/28/11/563022811.db2.gz CIJFECHCVAAGIQ-UHFFFAOYSA-N 0 0 466.213 6.272 1 0 JKAFRN COc1ccc(C[C@@H]2[C@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166115 563023022 /nfs/dbraw/zinc/02/30/22/563023022.db2.gz WVJKUKCCKMNTKW-PBXXJUDPSA-N 0 0 473.352 5.355 1 0 JKAFRN C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Nc1c(CC)cccc1CC ZINC000026169850 563023183 /nfs/dbraw/zinc/02/31/83/563023183.db2.gz WFDDOIANNONXQJ-KNRNEQCLSA-N 0 0 459.718 9.228 1 0 JKAFRN COC(=O)C/C(C(=O)OC)=C(/CCCCCCCCCCCCCCCCO)C(=O)OC ZINC000026176843 563023524 /nfs/dbraw/zinc/02/35/24/563023524.db2.gz ZONQTZLQYBRRRL-QURGRASLSA-N 0 0 456.620 5.036 1 0 JKAFRN O=C(Nc1ccc(F)cc1F)Nc1cnc2ccc(Br)cc2c1-c1ccccc1 ZINC000026179358 563023731 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COc1ccc2c(c1)sc(-c1cc(OC)c(OC)c(OC)c1)c2[C@H](O)c1ccc(OC)c(O)c1 ZINC000026403657 563027752 /nfs/dbraw/zinc/02/77/52/563027752.db2.gz VBWXJYSVCUTWOQ-XMMPIXPASA-N 0 0 482.554 5.399 1 0 JKAFRN CC(C)[C@H](CO)N(CC1CCCCC1)c1nc2c(ncn2C(C)C)c(Nc2cccc(Cl)c2)n1 ZINC000026403961 563027753 /nfs/dbraw/zinc/02/77/53/563027753.db2.gz YIYLLUOLKXLHRY-QFIPXVFZSA-N 0 0 485.076 6.208 1 0 JKAFRN CC[C@@H](c1cccc(NC(=O)CC[NH2+][C@@H]2C=Cc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000026479386 563028221 /nfs/dbraw/zinc/02/82/21/563028221.db2.gz MKNQDBOOQGZBRF-WIOPSUGQSA-N 0 0 480.564 5.727 1 0 JKAFRN CC[C@H](c1cccc(NC(=O)CC[NH2+][C@H]2C=Cc3ccccc32)c1)c1c([O-])c2ccccc2oc1=O ZINC000026479415 563028261 /nfs/dbraw/zinc/02/82/61/563028261.db2.gz MKNQDBOOQGZBRF-RDGATRHJSA-N 0 0 480.564 5.727 1 0 JKAFRN CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(-c4ccc5ccccc5c4)cc3)CCC2)cc1 ZINC000026485708 563028342 /nfs/dbraw/zinc/02/83/42/563028342.db2.gz YIHLXMPJTHIPIY-UHFFFAOYSA-N 0 0 482.649 7.038 1 0 JKAFRN 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XEJVWXBSTSWOOK-SSEXGKCCSA-N 0 0 464.540 6.433 1 0 JKAFRN O=C(c1ccn2c1CS[C@@H]2c1cccnc1)c1c[nH]c2ccc(OCc3ccccc3)cc21 ZINC000026735381 563034441 /nfs/dbraw/zinc/03/44/41/563034441.db2.gz MQJCHVNYZOBXKC-HHHXNRCGSA-N 0 0 451.551 5.968 1 0 JKAFRN CCCS(=O)(=O)CCCC[C@]1(Cc2ccncc2)c2ccccc2N(c2ccccc2)C1=O ZINC000026737197 563034557 /nfs/dbraw/zinc/03/45/57/563034557.db2.gz GCDONWQGHWYDCL-MHZLTWQESA-N 0 0 462.615 5.236 1 0 JKAFRN O=C(c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc21)c1ccc(Br)cc1 ZINC000026736778 563034567 /nfs/dbraw/zinc/03/45/67/563034567.db2.gz SENXGZXWIWRQSQ-UHFFFAOYSA-N 0 0 456.343 6.073 1 0 JKAFRN CCSc1nc2cc(OCCO)c(OC)cc2c(-c2cc(OCC3CC3)cc(OCC3CC3)c2)n1 ZINC000026739422 563034648 /nfs/dbraw/zinc/03/46/48/563034648.db2.gz BRIWETPXFBRJJZ-UHFFFAOYSA-N 0 0 496.629 5.366 1 0 JKAFRN O=C(c1ccn2c1CS[C@H]2c1cccnc1)c1cn(CCO)c2cc(-c3ccc(F)cc3)ccc12 ZINC000026739590 563034662 /nfs/dbraw/zinc/03/46/62/563034662.db2.gz MSJKJRQWFYHPIY-NDEPHWFRSA-N 0 0 483.568 5.661 1 0 JKAFRN 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488.609 5.537 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCCNS(=O)(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822973 563081462 /nfs/dbraw/zinc/08/14/62/563081462.db2.gz ZBNPFNJMAUUSGZ-UHFFFAOYSA-N 0 0 490.625 6.003 1 0 JKAFRN COc1ccc(/C=C/c2cc(OC)c(CCCCCCCCCCCCCCO)c(OC)c2)cc1 ZINC000028823585 563081641 /nfs/dbraw/zinc/08/16/41/563081641.db2.gz ZTXKBJNNBMXYJD-ISLYRVAYSA-N 0 0 482.705 8.099 1 0 JKAFRN Oc1cc(Nc2ccnc3cc(-c4ccc(CN5CCOCC5)o4)c(Cl)cc32)c(Cl)cc1F ZINC000028823961 563081722 /nfs/dbraw/zinc/08/17/22/563081722.db2.gz ICDFHFQQEUUANP-UHFFFAOYSA-N 0 0 488.346 6.222 1 0 JKAFRN C[C@@H](NCCNc1ccnc2cc(Cl)ccc21)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824123 563081844 /nfs/dbraw/zinc/08/18/44/563081844.db2.gz HKGFIJWTQBGSPO-LJQANCHMSA-N 0 0 492.023 5.066 1 0 JKAFRN CC(C)CCn1c(CN2c3ccccc3[C@@H](CC(=O)NCCc3ccccc3)C2=O)nc2ccccc21 ZINC000028824446 563081888 /nfs/dbraw/zinc/08/18/88/563081888.db2.gz UMJJOIKXUVASMP-RUZDIDTESA-N 0 0 494.639 5.462 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc([S@](C)=O)cc4C)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824349 563081941 /nfs/dbraw/zinc/08/19/41/563081941.db2.gz SAVGVJZNZBOAKW-MGBGTMOVSA-N 0 0 453.567 6.013 1 0 JKAFRN CC(C)CCn1c2ccccc2nc1CN1c2ccccc2C(=O)[C@@H](Cc2ccccc2)C1=O ZINC000028824528 563081968 /nfs/dbraw/zinc/08/19/68/563081968.db2.gz UHOIBFDUKQXRIN-HSZRJFAPSA-N 0 0 451.570 5.671 1 0 JKAFRN Cc1cc2nc(NC(=O)c3csc(C4CCN(c5ncnc6ccsc65)CC4)n3)[nH]c2cc1C ZINC000028824711 563081972 /nfs/dbraw/zinc/08/19/72/563081972.db2.gz SNLAIPOHTIBHOG-UHFFFAOYSA-N 0 0 489.630 5.277 1 0 JKAFRN O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCc2ccc(C(F)(F)F)cc21 ZINC000028826694 563082523 /nfs/dbraw/zinc/08/25/23/563082523.db2.gz SYHMQRMYCGFSDO-UHFFFAOYSA-N 0 0 482.380 6.863 1 0 JKAFRN O[C@H](CN(Cc1cccc(-c2ccncn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862709 563083247 /nfs/dbraw/zinc/08/32/47/563083247.db2.gz FTGHBFORSSILQA-RUZDIDTESA-N 0 0 465.475 5.866 1 0 JKAFRN CCc1c(=O)[nH]c(SC/C=C/c2ccc(OC)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000028862946 563083324 /nfs/dbraw/zinc/08/33/24/563083324.db2.gz MGCGKXUTAXBOGI-AATRIKPKSA-N 0 0 461.414 6.044 1 0 JKAFRN C[C@]12CC3CC(NC(=O)c4cn(CCc5ccccc5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000028864380 563083542 /nfs/dbraw/zinc/08/35/42/563083542.db2.gz JQBOYORPJBKBDJ-HCWJTZRGSA-N 0 0 454.614 5.723 1 0 JKAFRN CCCCCn1c2ccccc2c(=O)c(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c1-c1ccccc1 ZINC000028864446 563083571 /nfs/dbraw/zinc/08/35/71/563083571.db2.gz SXIFHTSAZCAARH-GOLTXOCUSA-N 0 0 496.695 7.338 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(=O)c2cccc(Cl)c21 ZINC000028864573 563083584 /nfs/dbraw/zinc/08/35/84/563083584.db2.gz XBIFKMDRQRXHQC-GVGIJBBXSA-N 0 0 455.042 6.324 1 0 JKAFRN O=C(NN1CCCCCC1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)C1 ZINC000028866834 563083810 /nfs/dbraw/zinc/08/38/10/563083810.db2.gz LWRSXGGISVSEEG-OAQYLSRUSA-N 0 0 465.812 5.861 1 0 JKAFRN O=C(/C=C/c1ccccc1)NCCCCN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1 ZINC000028869896 563084037 /nfs/dbraw/zinc/08/40/37/563084037.db2.gz NQOBWBPQVJMZSQ-QSOMJGHASA-N 0 0 451.614 5.064 1 0 JKAFRN O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1)c1ccc2ccccc2c1 ZINC000028869892 563084048 /nfs/dbraw/zinc/08/40/48/563084048.db2.gz RWDSDWDANDUVKH-HKBQPEDESA-N 0 0 475.636 5.818 1 0 JKAFRN COC(=O)[C@H](CCSC)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878362 563084542 /nfs/dbraw/zinc/08/45/42/563084542.db2.gz NOEIWZWAOXJZHG-IKHZEDCQSA-N 0 0 460.478 5.395 1 0 JKAFRN COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878825 563084570 /nfs/dbraw/zinc/08/45/70/563084570.db2.gz DOSQVCRKHRJBSE-YSBOAHOKSA-N 0 0 492.454 5.590 1 0 JKAFRN CC(C)(C)c1ccc(CCN2C(=O)COc3ccc(C=C4SC(=S)NC4=O)cc32)cc1 ZINC000028883416 563084831 /nfs/dbraw/zinc/08/48/31/563084831.db2.gz LSTPILCEEFKKAM-MOSHPQCFSA-N 0 0 452.601 5.281 1 0 JKAFRN COc1cc(-c2cnc(N)c3c(-c4cccc(Cl)c4Cl)csc32)cc(OC)c1OC ZINC000028884733 563084931 /nfs/dbraw/zinc/08/49/31/563084931.db2.gz SFNNXGKTALQGOX-UHFFFAOYSA-N 0 0 461.370 6.545 1 0 JKAFRN O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2 ZINC000028886191 563084941 /nfs/dbraw/zinc/08/49/41/563084941.db2.gz VZIPEFHBXCQMEJ-UHFFFAOYSA-N 0 0 466.412 5.511 1 0 JKAFRN Fc1ccc(-c2nn3c(cccc3NC3CCCC3)c2-c2cc(NC3CCCC3)ncn2)cc1 ZINC000028890375 563085088 /nfs/dbraw/zinc/08/50/88/563085088.db2.gz IOCBVAIMEJTMSG-UHFFFAOYSA-N 0 0 456.569 6.306 1 0 JKAFRN CCc1ccccc1N(CC(=O)NCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000028890813 563085090 /nfs/dbraw/zinc/08/50/90/563085090.db2.gz BTQDIETWFYABAG-UHFFFAOYSA-N 0 0 490.547 5.088 1 0 JKAFRN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1 ZINC000028893730 563085402 /nfs/dbraw/zinc/08/54/02/563085402.db2.gz UPBONKUQKKQLND-DEOSSOPVSA-N 0 0 486.399 5.708 1 0 JKAFRN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 ZINC000028893653 563085412 /nfs/dbraw/zinc/08/54/12/563085412.db2.gz HWCDHOIKZOMDSX-XMMPIXPASA-N 0 0 496.405 5.164 1 0 JKAFRN CC1CCN(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc54)n3)CC2)CC1 ZINC000028896612 563085708 /nfs/dbraw/zinc/08/57/08/563085708.db2.gz KXNZPASCSDMHFQ-UHFFFAOYSA-N 0 0 452.990 5.007 1 0 JKAFRN CC[C@@H](COCc1ccccc1)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000028900268 563086014 /nfs/dbraw/zinc/08/60/14/563086014.db2.gz GHWMIFALBUZXQR-SANMLTNESA-N 0 0 465.597 6.153 1 0 JKAFRN CCC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1=O ZINC000028901072 563086087 /nfs/dbraw/zinc/08/60/87/563086087.db2.gz YSBFOSQFKBRXCU-XQQPTAJKSA-N 0 0 474.597 5.511 1 0 JKAFRN CCC[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C1=O ZINC000028901056 563086094 /nfs/dbraw/zinc/08/60/94/563086094.db2.gz YSBFOSQFKBRXCU-UGWFNHDDSA-N 0 0 474.597 5.511 1 0 JKAFRN COc1cc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N)c(OC)c3)c2)ccc1N ZINC000028949042 563086703 /nfs/dbraw/zinc/08/67/03/563086703.db2.gz SRZVGISBAMERPF-GGWOSOGESA-N 0 0 451.364 5.972 1 0 JKAFRN COc1cc(/C=C/c2cc(Br)cc(/C=C/c3ccc(O)c(OC)c3)n2)ccc1O ZINC000028949002 563086726 /nfs/dbraw/zinc/08/67/26/563086726.db2.gz MSLUSBHXBUFJSA-FCXRPNKRSA-N 0 0 454.320 5.613 1 0 JKAFRN CCC(CC)(c1ccc(OC(=O)N2CCCCCCC2)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950213 563086873 /nfs/dbraw/zinc/08/68/73/563086873.db2.gz BHHTXNSLCXJWDG-UHFFFAOYSA-N 0 0 450.623 6.540 1 0 JKAFRN CC[C@H](C)N(C(=O)Oc1ccc(C(CC)(CC)c2ccc(N(C)C(C)=O)cc2)cc1)[C@@H](C)CC ZINC000028950198 563086888 /nfs/dbraw/zinc/08/68/88/563086888.db2.gz QEPBKJXHUSLAOB-VXKWHMMOSA-N 0 0 466.666 7.173 1 0 JKAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952684 563087643 /nfs/dbraw/zinc/08/76/43/563087643.db2.gz SYIXSYVLTFSTAU-UHFFFAOYSA-N 0 0 477.418 5.893 1 0 JKAFRN O=C(Nc1nc(-c2ccc(C(F)(F)F)c(F)c2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952682 563087644 /nfs/dbraw/zinc/08/76/44/563087644.db2.gz UUMGJFJGZOIDII-UHFFFAOYSA-N 0 0 477.418 5.893 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cccnc2)cc1 ZINC000028952780 563087723 /nfs/dbraw/zinc/08/77/23/563087723.db2.gz HRAHRSXQOVQKST-UHFFFAOYSA-N 0 0 458.440 6.359 1 0 JKAFRN O=C(Nc1nc(-c2ccc(C(F)(F)F)c(F)c2)ns1)c1ccc(Nc2ccncn2)cc1 ZINC000028953163 563087854 /nfs/dbraw/zinc/08/78/54/563087854.db2.gz BOGKRTJBBZLNHZ-UHFFFAOYSA-N 0 0 460.416 5.149 1 0 JKAFRN COc1cc2cc(OC)c1OCCCCCCn1ccc3cc(ccc31)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000028954147 563088093 /nfs/dbraw/zinc/08/80/93/563088093.db2.gz HSCFMXLBZAVZRS-SXOMAYOGSA-N 0 0 495.572 5.520 1 0 JKAFRN C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]12C ZINC000028954908 563088217 /nfs/dbraw/zinc/08/82/17/563088217.db2.gz DUAREOBRKPUOBM-ONBAZCQBSA-N 0 0 456.630 6.353 1 0 JKAFRN CCc1nc(N[C@@H]2c3ccccc3C[C@@H]2OCCF)c(CC)nc1Nc1ncc(Cl)cc1Cl ZINC000028956502 563088362 /nfs/dbraw/zinc/08/83/62/563088362.db2.gz WIMVCPNLHBNSFE-LEWJYISDSA-N 0 0 490.410 6.111 1 0 JKAFRN CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccc(C(F)(F)F)cn4)c3c2)cc1 ZINC000028957613 563088508 /nfs/dbraw/zinc/08/85/08/563088508.db2.gz FMZGCAUIWBCQBO-UHFFFAOYSA-N 0 0 458.465 5.431 1 0 JKAFRN COc1ccc2c(c1)CC[C@H](NC(=O)Nc1cccc3cnccc31)[C@@H]2Cc1cccc(Cl)c1 ZINC000028959457 563088724 /nfs/dbraw/zinc/08/87/24/563088724.db2.gz YXOZWAFCDLJIBZ-VPUSJEBWSA-N 0 0 471.988 6.360 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(F)ccc2[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000028959444 563088737 /nfs/dbraw/zinc/08/87/37/563088737.db2.gz QZVYUUWIXJXMEH-AHWVRZQESA-N 0 0 493.504 6.856 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(Br)ccc2[C@@H]1Cc1ccccc1 ZINC000028959197 563088738 /nfs/dbraw/zinc/08/87/38/563088738.db2.gz GRMQPDUTUVTBPO-AHWVRZQESA-N 0 0 486.413 6.460 1 0 JKAFRN NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000028959924 563088802 /nfs/dbraw/zinc/08/88/02/563088802.db2.gz OMOGUFMUUGHDFX-UHFFFAOYSA-N 0 0 458.827 5.691 1 0 JKAFRN C=C(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000028972707 563089783 /nfs/dbraw/zinc/08/97/83/563089783.db2.gz WZZAXQGYJDXEDP-UJBPRPQUSA-N 0 0 468.722 6.915 1 0 JKAFRN CC(C)C/C=C/Oc1ccc(-c2coc3cc(OC(F)F)cc(O/C=C/CC(C)C)c3c2=O)cc1 ZINC000028980003 563090397 /nfs/dbraw/zinc/09/03/97/563090397.db2.gz MRWVPQMMBCEZPY-ACFHMISVSA-N 0 0 484.539 7.939 1 0 JKAFRN Cc1cc(C)c(N(C)c2c3c(c(O)c4ncccc42)C(=O)N(Cc2ccc(F)cc2)C3)c(C)c1 ZINC000028979464 563090465 /nfs/dbraw/zinc/09/04/65/563090465.db2.gz OPTAPVXCQGBAAL-UHFFFAOYSA-N 0 0 455.533 5.929 1 0 JKAFRN O=C(c1ccc(C2CCCCC2)c(S(=O)(=O)N2CCCC2)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000029038128 563090686 /nfs/dbraw/zinc/09/06/86/563090686.db2.gz CSJKUOSSKDIIJJ-NFBKMPQASA-N 0 0 458.668 5.171 1 0 JKAFRN Cc1cc(NC(=O)C(C)(C)c2ccccn2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043702 563092004 /nfs/dbraw/zinc/09/20/04/563092004.db2.gz CIPCMBNXDNFIEB-UHFFFAOYSA-N 0 0 474.992 5.784 1 0 JKAFRN Cc1cc(Oc2ccncc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC000029043959 563092104 /nfs/dbraw/zinc/09/21/04/563092104.db2.gz MIKRVJJTLVWVNA-UHFFFAOYSA-N 0 0 469.423 5.911 1 0 JKAFRN C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=Cc2ncnc(N)c21 ZINC000029045719 563092328 /nfs/dbraw/zinc/09/23/28/563092328.db2.gz HYSWJDULGANUFD-XIFFEERXSA-N 0 0 465.600 7.643 1 0 JKAFRN CC1=C(/C=C/C2=Cc3ncnc(N)c3[C@@](C)(/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 ZINC000029045716 563092331 /nfs/dbraw/zinc/09/23/31/563092331.db2.gz KDDXHZGOQPGOOM-LAGAWGSYSA-N 0 0 457.706 8.269 1 0 JKAFRN C[C@]1(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccccc3)cc2)=Cc2ncnc(N)c21 ZINC000029045722 563092410 /nfs/dbraw/zinc/09/24/10/563092410.db2.gz HYSWJDULGANUFD-MGBGTMOVSA-N 0 0 465.600 7.643 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2=O)cc1 ZINC000029046284 563092424 /nfs/dbraw/zinc/09/24/24/563092424.db2.gz IRQVRYFQKGKRBV-UHFFFAOYSA-N 0 0 483.355 5.410 1 0 JKAFRN CC(C)(C)c1nc2cc(S(=O)(=O)c3c(Cl)cccc3Cl)ccc2n1CC1CCOCC1 ZINC000029048296 563092720 /nfs/dbraw/zinc/09/27/20/563092720.db2.gz DEJWIJDVKUDRRN-UHFFFAOYSA-N 0 0 481.445 5.900 1 0 JKAFRN COC(=O)c1c(Cl)ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1C ZINC000029050481 563092941 /nfs/dbraw/zinc/09/29/41/563092941.db2.gz AHKMYFOPWRWBOW-UHFFFAOYSA-N 0 0 478.932 5.878 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1c(C)ccc2ccccc21 ZINC000029053174 563093160 /nfs/dbraw/zinc/09/31/60/563093160.db2.gz CTFCGPRALFQSJL-NDEPHWFRSA-N 0 0 464.653 7.857 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3ccccc3-c3ccccc3)cc(OC)c21 ZINC000029053604 563093251 /nfs/dbraw/zinc/09/32/51/563093251.db2.gz NEAGSUMDXYRQCY-YTTGMZPUSA-N 0 0 484.643 8.481 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@H]1CCCc2nc(-c3ccccc3C(C)C)cc(OC)c21 ZINC000029053789 563093267 /nfs/dbraw/zinc/09/32/67/563093267.db2.gz DGSPLOHGPZJAPM-LJAQVGFWSA-N 0 0 450.626 7.938 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cccc2ccccc21 ZINC000029053614 563093286 /nfs/dbraw/zinc/09/32/86/563093286.db2.gz YQSFGYDYDOBCBI-MUUNZHRXSA-N 0 0 450.626 7.549 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(SC)c2c(n1)CCC[C@H]2N(CC)c1cccc2ccccc21 ZINC000029055307 563093531 /nfs/dbraw/zinc/09/35/31/563093531.db2.gz CMLVDJNLTCLQQU-GDLZYMKVSA-N 0 0 480.721 8.652 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(SC)c2c(n1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029055311 563093582 /nfs/dbraw/zinc/09/35/82/563093582.db2.gz CMLVDJNLTCLQQU-LJAQVGFWSA-N 0 0 480.721 8.652 1 0 JKAFRN c1ccc2[nH]c(-c3ccc(OCCCOc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1 ZINC000029056488 563093642 /nfs/dbraw/zinc/09/36/42/563093642.db2.gz RQTVUXRXQFNLPE-UHFFFAOYSA-N 0 0 460.537 6.621 1 0 JKAFRN C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)C1CC1 ZINC000029061323 563093871 /nfs/dbraw/zinc/09/38/71/563093871.db2.gz NVYBWXHWNQURJF-JOJROWHISA-N 0 0 477.648 7.243 1 0 JKAFRN C[C@]1(C(=O)C2CC2)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4cccnc4)cc3)C[C@@]21C ZINC000029061185 563093906 /nfs/dbraw/zinc/09/39/06/563093906.db2.gz CLOUGBAXWNVTJH-OIPVWHMQSA-N 0 0 491.675 7.634 1 0 JKAFRN Cc1c(-c2ccccc2)nn2c1nccc2-c1c(C)n(-c2ccccc2)nc1C(=O)Nc1ccccc1 ZINC000029123387 563094241 /nfs/dbraw/zinc/09/42/41/563094241.db2.gz CTMMGNVBJDDAIQ-UHFFFAOYSA-N 0 0 484.563 6.118 1 0 JKAFRN Cn1c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs/c1=N\c1ccc(F)cc1F ZINC000029124594 563094425 /nfs/dbraw/zinc/09/44/25/563094425.db2.gz QZTRKOHJAOEQLJ-COOPMVRXSA-N 0 0 451.498 5.571 1 0 JKAFRN Cc1c(-c2nnnn2C2CCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124813 563094481 /nfs/dbraw/zinc/09/44/81/563094481.db2.gz CLFKNRYJODEXGT-UHFFFAOYSA-N 0 0 459.768 6.186 1 0 JKAFRN Cc1c(-c2nnnn2C2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029124771 563094502 /nfs/dbraw/zinc/09/45/02/563094502.db2.gz BVQWRGWRMUNNLO-UHFFFAOYSA-N 0 0 473.795 6.577 1 0 JKAFRN CCCCOc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(C(F)(F)F)cc3)n2C)cc1 ZINC000029124725 563094503 /nfs/dbraw/zinc/09/45/03/563094503.db2.gz VODIZLUTMMPJEK-XAYXJRQQSA-N 0 0 463.525 5.698 1 0 JKAFRN CCc1c(-c2nnnn2C2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000029125083 563094520 /nfs/dbraw/zinc/09/45/20/563094520.db2.gz ZMGHKGRNSCCJAT-UHFFFAOYSA-N 0 0 487.822 6.831 1 0 JKAFRN COc1cc(-c2ccccc2Cl)c2cc(OC)c(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125661 563094826 /nfs/dbraw/zinc/09/48/26/563094826.db2.gz CQQGMOOODCVFKP-UHFFFAOYSA-N 0 0 460.744 6.635 1 0 JKAFRN COc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)[C@@H](OC)C2 ZINC000029125712 563094942 /nfs/dbraw/zinc/09/49/42/563094942.db2.gz YTKQFUWXIAQGMU-NRFANRHFSA-N 0 0 462.760 6.558 1 0 JKAFRN CC(C)(C)c1csc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 ZINC000029126105 563095086 /nfs/dbraw/zinc/09/50/86/563095086.db2.gz IZYCHFFQVKKZLK-UHFFFAOYSA-N 0 0 451.979 5.918 1 0 JKAFRN Cn1c(-c2ccc(C=O)cc2Cl)nnc1C12CCC(c3nc(-c4ccc(F)cc4)no3)(CC1)CC2 ZINC000029126540 563095261 /nfs/dbraw/zinc/09/52/61/563095261.db2.gz BWRXEWQJJDSTJX-UHFFFAOYSA-N 0 0 491.954 5.681 1 0 JKAFRN CCNC(=O)Nc1nc2ccc(C(=O)Nc3cc(NC(=O)c4cccc(C)c4)ccc3C)cc2s1 ZINC000029126712 563095264 /nfs/dbraw/zinc/09/52/64/563095264.db2.gz CDROSTAJWYXIOZ-UHFFFAOYSA-N 0 0 487.585 5.559 1 0 JKAFRN CCc1cccc(-c2sc(NCc3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1 ZINC000029127006 563095418 /nfs/dbraw/zinc/09/54/18/563095418.db2.gz CGVKSKULNYACTA-UHFFFAOYSA-N 0 0 466.570 5.089 1 0 JKAFRN O[C@@H]1CCc2c(Br)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 ZINC000029127338 563095731 /nfs/dbraw/zinc/09/57/31/563095731.db2.gz WJZHLKGGAKMHSR-CQSZACIVSA-N 0 0 464.285 5.518 1 0 JKAFRN O=C(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]2(Cc2ccc(F)cc2)C1 ZINC000029127856 563095976 /nfs/dbraw/zinc/09/59/76/563095976.db2.gz XJMNPICMVHZPRP-PMERELPUSA-N 0 0 481.546 5.865 1 0 JKAFRN CCC(O)(CC)CCCS[C@H](C)C1=CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128743 563096471 /nfs/dbraw/zinc/09/64/71/563096471.db2.gz QZWWZSFUNUTAKT-JUUUXNRHSA-N 0 0 462.740 6.334 1 0 JKAFRN CCC(O)(CC)CCCS[C@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128744 563096474 /nfs/dbraw/zinc/09/64/74/563096474.db2.gz QZWWZSFUNUTAKT-ANVLXNBDSA-N 0 0 462.740 6.334 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@H](CC(C)C)NC23CCCCCC3)c1 ZINC000029129073 563096576 /nfs/dbraw/zinc/09/65/76/563096576.db2.gz LAFPBLYKSDELCU-BWKNWUBXSA-N 0 0 466.670 5.721 1 0 JKAFRN CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3)nc21 ZINC000029131523 563097194 /nfs/dbraw/zinc/09/71/94/563097194.db2.gz DMMIDJRAQDTYAE-UHFFFAOYSA-N 0 0 494.401 7.647 1 0 JKAFRN COc1cc(-c2cc(=O)oc3c4c(c5c(c23)OC(C)(C)C=C5)O[C@H](C)CC4=O)cc(OC)c1OC ZINC000029132965 563097475 /nfs/dbraw/zinc/09/74/75/563097475.db2.gz KYDLFTWKHIKXNP-CYBMUJFWSA-N 0 0 478.497 5.024 1 0 JKAFRN Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000029132817 563097482 /nfs/dbraw/zinc/09/74/82/563097482.db2.gz UYNPXECETRBSLI-UHFFFAOYSA-N 0 0 473.804 7.077 1 0 JKAFRN C[C@@H]1CC(=O)c2c(c3c(c4c(CCC(F)(F)F)cc(=O)oc42)O[C@@H](c2ccccc2)C=C3)O1 ZINC000029133090 563097539 /nfs/dbraw/zinc/09/75/39/563097539.db2.gz PKSSEKONZVRQSR-FZKQIMNGSA-N 0 0 456.416 5.789 1 0 JKAFRN C[C@H]1CC(=O)c2c3oc(=O)cc(CCC(F)(F)F)c3c3c(c2O1)C=C[C@H](c1ccccc1)O3 ZINC000029133092 563097577 /nfs/dbraw/zinc/09/75/77/563097577.db2.gz PKSSEKONZVRQSR-SCLBCKFNSA-N 0 0 456.416 5.789 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4cccc(Cl)c4)c3)c2cc1OC ZINC000029134266 563097812 /nfs/dbraw/zinc/09/78/12/563097812.db2.gz VVGAHQAPHJZCLN-UHFFFAOYSA-N 0 0 484.939 7.103 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccccc3C)c2cc1OC ZINC000029134481 563097927 /nfs/dbraw/zinc/09/79/27/563097927.db2.gz MQRYORPEARKGSY-UHFFFAOYSA-N 0 0 471.513 5.784 1 0 JKAFRN C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000029135255 563098028 /nfs/dbraw/zinc/09/80/28/563098028.db2.gz NNDKWLZUMMJBLA-HNNXBMFYSA-N 0 0 484.453 5.769 1 0 JKAFRN C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000029135253 563098029 /nfs/dbraw/zinc/09/80/29/563098029.db2.gz NNDKWLZUMMJBLA-OAHLLOKOSA-N 0 0 484.453 5.769 1 0 JKAFRN COc1cc(Nc2ncnc(-n3c4ccccc4nc3Nc3c(C)cccc3C)n2)cc(OC)c1OC ZINC000029136088 563098211 /nfs/dbraw/zinc/09/82/11/563098211.db2.gz XLLRJKPTDUSPNM-UHFFFAOYSA-N 0 0 497.559 5.340 1 0 JKAFRN CC(=O)c1c(=O)n(CCN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000029207598 563098468 /nfs/dbraw/zinc/09/84/68/563098468.db2.gz PKWGKSWTZJCZJZ-UHFFFAOYSA-N 0 0 470.400 5.573 1 0 JKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCCNc2ccc(C(=O)OCC)cc2)cc1 ZINC000029215718 563098679 /nfs/dbraw/zinc/09/86/79/563098679.db2.gz OBCVOXNFYJFDKK-UHFFFAOYSA-N 0 0 496.692 7.465 1 0 JKAFRN O=C1c2c(F)cc([O-])cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029219629 563098751 /nfs/dbraw/zinc/09/87/51/563098751.db2.gz ILJFDCKGHVGZCB-LEAFIULHSA-N 0 0 477.532 5.202 1 0 JKAFRN CCOC(=O)c1cccc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12 ZINC000029222293 563098867 /nfs/dbraw/zinc/09/88/67/563098867.db2.gz PIHYQBCQRPXHFV-UHFFFAOYSA-N 0 0 451.478 5.764 1 0 JKAFRN Cc1nnc2n1-c1sc(/C=C\c3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2 ZINC000029222888 563098881 /nfs/dbraw/zinc/09/88/81/563098881.db2.gz VOGQQJXEKGUWAQ-SEYXRHQNSA-N 0 0 473.045 7.011 1 0 JKAFRN Cc1nnc2n1-c1sc(/C=C\c3ccc4c(c3)CCC4)cc1C(c1ccccc1Cl)=NC2 ZINC000029225472 563098959 /nfs/dbraw/zinc/09/89/59/563098959.db2.gz ZZUPIOGHILLCRA-BENRWUELSA-N 0 0 457.002 6.301 1 0 JKAFRN CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CSC[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029242708 563099368 /nfs/dbraw/zinc/09/93/68/563099368.db2.gz LZEXMOVYUOZVNC-OKWKAMABSA-N 0 0 484.509 7.294 1 0 JKAFRN CCC(=O)Oc1c2ccccc2c(OC(=O)CC)c(Oc2ccccc2)c1Oc1ccccc1 ZINC000029253410 563099717 /nfs/dbraw/zinc/09/97/17/563099717.db2.gz HALVTMJIMCHYEI-UHFFFAOYSA-N 0 0 456.494 7.055 1 0 JKAFRN COc1ccc([C@@H]2CC[C@H](OCc3ccc(Cn4c(C)nc5ccccc54)cc3)O2)cc1OC ZINC000029313145 563099909 /nfs/dbraw/zinc/09/99/09/563099909.db2.gz MVRRGYZBJXBPFE-LBNVMWSVSA-N 0 0 458.558 5.805 1 0 JKAFRN CCC(=O)Oc1c2ccc(Cl)cc2c(OC(=O)CC)c(Oc2ccccc2)c1Oc1ccccc1 ZINC000029316120 563099950 /nfs/dbraw/zinc/09/99/50/563099950.db2.gz HMGWPPSZNGTRRG-UHFFFAOYSA-N 0 0 490.939 7.709 1 0 JKAFRN COc1c(OC)c(OC(=O)c2ccccc2)c2cc(Cl)ccc2c1OC(=O)c1ccccc1 ZINC000029315525 563099997 /nfs/dbraw/zinc/09/99/97/563099997.db2.gz GBHBCWSWIGDAPC-UHFFFAOYSA-N 0 0 462.885 5.949 1 0 JKAFRN CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCC[C@H](C(C)C)C2 ZINC000029323069 563100241 /nfs/dbraw/zinc/10/02/41/563100241.db2.gz LMVUOOBOSWCFJZ-QHCPKHFHSA-N 0 0 468.649 6.272 1 0 JKAFRN COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 ZINC000029336227 563100779 /nfs/dbraw/zinc/10/07/79/563100779.db2.gz FOENCGHEGSIBTJ-NDEPHWFRSA-N 0 0 486.568 5.051 1 0 JKAFRN CN(CC(c1ccccc1)c1ccccc1)C(=O)CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029337076 563100818 /nfs/dbraw/zinc/10/08/18/563100818.db2.gz OGYKSQXEZGYNEY-UHFFFAOYSA-N 0 0 479.464 6.947 1 0 JKAFRN CN(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000029339769 563100910 /nfs/dbraw/zinc/10/09/10/563100910.db2.gz KYASZYNCIMXXBM-UHFFFAOYSA-N 0 0 493.491 7.337 1 0 JKAFRN O=C(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NCC(c1ccccc1)c1ccccc1 ZINC000029344902 563101257 /nfs/dbraw/zinc/10/12/57/563101257.db2.gz LGMYWAQGHMIIDC-UHFFFAOYSA-N 0 0 465.437 6.605 1 0 JKAFRN CN(CC(c1ccccc1)c1ccccc1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029344907 563101302 /nfs/dbraw/zinc/10/13/02/563101302.db2.gz BPOQFKGJPSWXDH-UHFFFAOYSA-N 0 0 465.437 6.557 1 0 JKAFRN CCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CC[C@H](C(C)C)C2 ZINC000029348083 563101462 /nfs/dbraw/zinc/10/14/62/563101462.db2.gz NRJGUVWHQVWOBL-NRFANRHFSA-N 0 0 468.605 5.522 1 0 JKAFRN O[C@H](CN(Cc1ccc(F)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389932 563101588 /nfs/dbraw/zinc/10/15/88/563101588.db2.gz MXKLZWSZBAYRSH-RUZDIDTESA-N 0 0 471.450 6.808 1 0 JKAFRN CC(C)(C)C(=O)c1ccc(C(=O)N(C(=O)c2ccc(C(=O)C(C)(C)C)cc2)C(=O)c2ccccn2)cc1 ZINC000029392978 563101857 /nfs/dbraw/zinc/10/18/57/563101857.db2.gz MQNIXSYWNJINBD-UHFFFAOYSA-N 0 0 498.579 5.662 1 0 JKAFRN CC(=O)N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC000029393389 563102004 /nfs/dbraw/zinc/10/20/04/563102004.db2.gz VMLKGGWQGPHFTK-VQTJNVASSA-N 0 0 472.429 5.076 1 0 JKAFRN CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3cccc4ccccc43)c2)cccc1N(C)C ZINC000029396169 563102185 /nfs/dbraw/zinc/10/21/85/563102185.db2.gz KCNZHXUNAXRGCI-UHFFFAOYSA-N 0 0 499.659 6.550 1 0 JKAFRN CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc(N)c3C2=O)c1 ZINC000029396880 563102220 /nfs/dbraw/zinc/10/22/20/563102220.db2.gz YCYMNUSUSOQRGH-GOTSBHOMSA-N 0 0 472.585 5.596 1 0 JKAFRN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(Cl)cc3)cc2)cc1 ZINC000029405718 563102784 /nfs/dbraw/zinc/10/27/84/563102784.db2.gz IVPNRTDVPRNCCB-UHFFFAOYSA-N 0 0 491.922 6.321 1 0 JKAFRN CCCCCCN(CCCCCSc1nc2ccccc2o1)C(=O)Nc1ccc(F)cc1F ZINC000029413364 563103472 /nfs/dbraw/zinc/10/34/72/563103472.db2.gz UJRLGFDMBOUNIN-UHFFFAOYSA-N 0 0 475.605 7.483 1 0 JKAFRN CN(CC[C@]12CCCC[C@H]1C=Cc1ccc(OCC(=O)OC(C)(C)C)cc12)CC(=O)OC(C)(C)C ZINC000029476548 563104922 /nfs/dbraw/zinc/10/49/22/563104922.db2.gz AEEOMWMYZRPKKH-PZGXJGMVSA-N 0 0 485.665 5.526 1 0 JKAFRN COc1ccccc1CN[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000029479970 563105160 /nfs/dbraw/zinc/10/51/60/563105160.db2.gz SCOYAVKKOHTDNJ-AREMUKBSSA-N 0 0 459.634 6.595 1 0 JKAFRN CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]32C)[C@@]1(C)CCC[NH3+] ZINC000029480641 563105250 /nfs/dbraw/zinc/10/52/50/563105250.db2.gz XVZZKKNTAJQIRD-FXRMYFSISA-N 0 0 457.743 7.448 1 0 JKAFRN CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]4CC(C)(C)CC[C@]4(C(=O)[O-])CC[C@]32C)[C@@]1(C)CCC[NH3+] ZINC000029480638 563105267 /nfs/dbraw/zinc/10/52/67/563105267.db2.gz XVZZKKNTAJQIRD-AVMMQJPNSA-N 0 0 457.743 7.448 1 0 JKAFRN COc1ccc(C(=C/C=C/C(=O)Nc2ccc(-c3cccnc3)cc2)c2ccc(OC)cc2)cc1 ZINC000029483199 563105427 /nfs/dbraw/zinc/10/54/27/563105427.db2.gz AHPDSBLXHZAIHR-XVNBXDOJSA-N 0 0 462.549 6.392 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1C(F)(F)F ZINC000029486871 563105616 /nfs/dbraw/zinc/10/56/16/563105616.db2.gz TWQFYJWGVCIFRO-UHFFFAOYSA-N 0 0 480.534 7.935 1 0 JKAFRN COc1ccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2ccc(C)nc2)c2ccc(OC)cc2)cc1 ZINC000029488036 563105675 /nfs/dbraw/zinc/10/56/75/563105675.db2.gz 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Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[C@@H](C(=O)N(C(C)C)C(C)C)c2cccnc2)c1 ZINC000034986715 563117981 /nfs/dbraw/zinc/11/79/81/563117981.db2.gz PNDBKFDPSKEFGQ-IZLXSDGUSA-N 0 0 486.660 5.402 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)N[C@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987056 563118015 /nfs/dbraw/zinc/11/80/15/563118015.db2.gz LAZKKOQEAVOWIR-UIUQJESISA-N 0 0 486.660 5.655 1 0 JKAFRN CC[C@](O)(c1cn(Cc2ccc3c(c2)sc(C(=O)OC)c3-c2ccccc2)nn1)C(F)(F)F ZINC000034986986 563118030 /nfs/dbraw/zinc/11/80/30/563118030.db2.gz DYXRPCJFAUISEU-QFIPXVFZSA-N 0 0 475.492 5.155 1 0 JKAFRN CC(C)N(C(=O)[C@@H](c1cccnc1)[C@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987282 563118038 /nfs/dbraw/zinc/11/80/38/563118038.db2.gz XIFGWDHAYILEBO-LCRMXPIESA-N 0 0 471.645 5.862 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1)C(C)C ZINC000034987281 563118049 /nfs/dbraw/zinc/11/80/49/563118049.db2.gz XIFGWDHAYILEBO-MYELJEHHSA-N 0 0 471.645 5.862 1 0 JKAFRN CC(C)N(C(=O)[C@H](c1cccnc1)[C@H](CC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987385 563118089 /nfs/dbraw/zinc/11/80/89/563118089.db2.gz GOUOEOKNDSCSBS-XRKRLSELSA-N 0 0 471.645 5.343 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(N(C)C)c2ccccc21 ZINC000035002908 563118183 /nfs/dbraw/zinc/11/81/83/563118183.db2.gz IRAFUHKAOVCMCW-UHFFFAOYSA-N 0 0 496.434 5.288 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1cc(C)c(C)c2ccccc21 ZINC000035002882 563118204 /nfs/dbraw/zinc/11/82/04/563118204.db2.gz LHXOTVTVYBSXSX-UHFFFAOYSA-N 0 0 450.995 6.038 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccc(C)cc2Cl)n1-c1ccc(Cl)c2ccccc21 ZINC000035002866 563118211 /nfs/dbraw/zinc/11/82/11/563118211.db2.gz LKMGYCIVBUJCSW-UHFFFAOYSA-N 0 0 457.386 6.075 1 0 JKAFRN CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000035028847 563118343 /nfs/dbraw/zinc/11/83/43/563118343.db2.gz DOXNRZCBQJYCBO-SRZVJSNHSA-N 0 0 472.754 6.931 1 0 JKAFRN 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/nfs/dbraw/zinc/11/92/87/563119287.db2.gz ZAIQTNHULFBEOU-UHFFFAOYSA-N 0 0 467.013 5.621 1 0 JKAFRN COc1ccc(C(=O)N2[C@H](C(=O)NCCC(C)C)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000035192440 563119345 /nfs/dbraw/zinc/11/93/45/563119345.db2.gz VFOCQSZCHQYPHH-OZXSUGGESA-N 0 0 468.663 5.411 1 0 JKAFRN CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000035242326 563119359 /nfs/dbraw/zinc/11/93/59/563119359.db2.gz BDWQJJZUDMELFI-AKZJZNEPSA-N 0 0 472.547 6.337 1 0 JKAFRN COc1ccc(Br)cc1Oc1c(Br)c(Br)ccc1OC ZINC000035274180 563119868 /nfs/dbraw/zinc/11/98/68/563119868.db2.gz RWWLQRRMHKHLGF-UHFFFAOYSA-N 0 0 466.951 5.784 1 0 JKAFRN Cc1ccc(-c2nc3c(nnn3Cc3ccccc3F)c(NC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000035834071 563120654 /nfs/dbraw/zinc/12/06/54/563120654.db2.gz XMKOEROSRMQYPX-UHFFFAOYSA-N 0 0 471.471 5.167 1 0 JKAFRN O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccccc1N1CC2(CCC2)c2ccccc21 ZINC000035921056 563121170 /nfs/dbraw/zinc/12/11/70/563121170.db2.gz KVIUSCYDZGOMCR-UHFFFAOYSA-N 0 0 453.464 6.803 1 0 JKAFRN O=C(CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1 ZINC000035903809 563121227 /nfs/dbraw/zinc/12/12/27/563121227.db2.gz CEXBUHRJNQKOBZ-WJOKGBTCSA-N 0 0 496.054 6.412 1 0 JKAFRN C[C@@H](Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl ZINC000035934745 563121317 /nfs/dbraw/zinc/12/13/17/563121317.db2.gz VRFBKBFDZDKNBO-GFCCVEGCSA-N 0 0 451.329 5.465 1 0 JKAFRN CC(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000035935335 563121340 /nfs/dbraw/zinc/12/13/40/563121340.db2.gz LPQHYGLUOVGAGE-ZLYZMSFYSA-N 0 0 465.722 6.955 1 0 JKAFRN CC1(C)c2[nH]nc(Nc3nc(Cl)nc4ccccc43)c2CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000035935738 563121400 /nfs/dbraw/zinc/12/14/00/563121400.db2.gz OJCCWUWPMWSEBG-APWZRJJASA-N 0 0 473.968 5.066 1 0 JKAFRN O=C(COc1cccc(-c2nc3ccccc3c(Nc3ccc4n[nH]cc4c3)n2)c1)Nc1cccnc1 ZINC000035936307 563121411 /nfs/dbraw/zinc/12/14/11/563121411.db2.gz 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ZMNAIRSRLDYDKY-DEOSSOPVSA-N 0 0 484.600 7.124 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000036189228 563124030 /nfs/dbraw/zinc/12/40/30/563124030.db2.gz XHCZHNMQNZIKSK-OWYVBGHCSA-N 0 0 496.651 5.770 1 0 JKAFRN CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4N(C(=O)c4ccccc4)c4ccccc4)[C@H]3CC[C@@H]12 ZINC000036188485 563124040 /nfs/dbraw/zinc/12/40/40/563124040.db2.gz FGXXHFWGZTYOIF-CSVFYNOOSA-N 0 0 484.684 6.565 1 0 JKAFRN CCCCc1nc2ccc([C@H](C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222135 563124483 /nfs/dbraw/zinc/12/44/83/563124483.db2.gz BWEPYZHEFBWAPC-IBGZPJMESA-N 0 0 494.599 5.342 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000036294723 563125576 /nfs/dbraw/zinc/12/55/76/563125576.db2.gz AKOJRLZCOBTYPX-GJZGRUSLSA-N 0 0 476.795 5.271 1 0 JKAFRN Cc1c(C(=O)Nc2ccncc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000036294703 563125585 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6.984 1 0 JKAFRN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)[S@@](=O)Cc1ccccc1 ZINC000040520464 563145123 /nfs/dbraw/zinc/14/51/23/563145123.db2.gz RDDIHYIPMIEFKN-OWOGQGBRSA-N 0 0 459.051 5.149 1 0 JKAFRN Clc1ccc(CC[C@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 ZINC000040556620 563145215 /nfs/dbraw/zinc/14/52/15/563145215.db2.gz PGMLVTZUCFVHFP-AHWVRZQESA-N 0 0 465.018 6.227 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@@H](Cc2ccc(-c3ccc(Br)cc3)cc2)C1=O ZINC000040556758 563145279 /nfs/dbraw/zinc/14/52/79/563145279.db2.gz GTFLIFNHZQEYRJ-FQEVSTJZSA-N 0 0 469.766 5.087 1 0 JKAFRN COC(=O)[C@@]12CC[C@@]3(C)CCC(C)(C)C[C@H]3C1=CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000040564667 563145383 /nfs/dbraw/zinc/14/53/83/563145383.db2.gz HEDYWHFMTAMIIX-NUHNAJBNSA-N 0 0 470.738 7.322 1 0 in-vivo JKAFRN COc1cc(CCCCCCCCCCCCCCCCCCO)c(OC)c(OC)c1OC ZINC000040564276 563145384 /nfs/dbraw/zinc/14/53/84/563145384.db2.gz AXGSRKQYMMJCFM-UHFFFAOYSA-N 0 0 466.703 7.497 1 0 JKAFRN COC[C@H](C)Nc1nccc(N(C(=O)NCc2ccc(Cl)c(Cl)c2)c2ccc(OC)cc2)n1 ZINC000040564258 563145407 /nfs/dbraw/zinc/14/54/07/563145407.db2.gz RLRJGMRGNBGCMH-HNNXBMFYSA-N 0 0 490.391 5.287 1 0 JKAFRN Cc1cccc2sc(N[C@@H](c3ccc(C(F)(F)F)cc3)P(=O)(OC(C)C)OC(C)C)nc21 ZINC000040565207 563145456 /nfs/dbraw/zinc/14/54/56/563145456.db2.gz LJENBGQGGXFRTM-HXUWFJFHSA-N 0 0 486.496 7.777 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000040567191 563146011 /nfs/dbraw/zinc/14/60/11/563146011.db2.gz IRKSMPSMJBSGJT-MFWSTDTOSA-N 0 0 459.671 5.588 1 0 JKAFRN Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1-c1ccc(C)cc1 ZINC000040568224 563146218 /nfs/dbraw/zinc/14/62/18/563146218.db2.gz YZZHYSIHUSTHFU-UHFFFAOYSA-N 0 0 482.996 6.723 1 0 JKAFRN C[C@@H](Cc1ccccc1)C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000040576036 563146440 /nfs/dbraw/zinc/14/64/40/563146440.db2.gz JIZWLTGEKASELT-FQEVSTJZSA-N 0 0 466.672 6.838 1 0 JKAFRN C[C@@H](C(=O)SCCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000040575690 563146442 /nfs/dbraw/zinc/14/64/42/563146442.db2.gz QVLQTFADTORMEN-LJQANCHMSA-N 0 0 452.645 6.763 1 0 JKAFRN O=C(NN1CCCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000040632082 563147136 /nfs/dbraw/zinc/14/71/36/563147136.db2.gz FAKJERQPKROJRB-UHFFFAOYSA-N 0 0 464.784 5.415 1 0 JKAFRN CC[C@@H]1Nc2ccc(C(C)C)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040640782 563147234 /nfs/dbraw/zinc/14/72/34/563147234.db2.gz PCJVQAIEWHNOOB-RUZDIDTESA-N 0 0 452.562 5.461 1 0 JKAFRN COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H](C)S[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000040720284 563147543 /nfs/dbraw/zinc/14/75/43/563147543.db2.gz UZQQQMZGNXCCMP-VLGQDORFSA-N 0 0 496.028 6.269 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1Cl ZINC000040754051 563147820 /nfs/dbraw/zinc/14/78/20/563147820.db2.gz MCZXASGZERMKGG-UHFFFAOYSA-N 0 0 480.051 8.233 1 0 JKAFRN COc1cc(C(=O)c2c(OC/C=C/C(=O)Nc3ccccc3)ccc3ccccc32)cc(OC)c1OC ZINC000040763025 563147905 /nfs/dbraw/zinc/14/79/05/563147905.db2.gz SQSKWZJOXDQNFD-NTEUORMPSA-N 0 0 497.547 5.670 1 0 JKAFRN COc1ccc(N2C(=O)O[C@H](COC(=O)C3CCCCC3)[C@H]2CCCc2ccccc2)cc1 ZINC000040763317 563147963 /nfs/dbraw/zinc/14/79/63/563147963.db2.gz DNLQABRHXNVPET-JWQCQUIFSA-N 0 0 451.563 5.535 1 0 JKAFRN CN1c2ccc(Cl)cc2C(=O)N[C@H](Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1=O ZINC000040763244 563147992 /nfs/dbraw/zinc/14/79/92/563147992.db2.gz BSPCYDWVZNGIIL-HXUWFJFHSA-N 0 0 458.867 5.343 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccc(OC)cc1 ZINC000040767105 563148422 /nfs/dbraw/zinc/14/84/22/563148422.db2.gz QRKWSLUBOVSORV-UHFFFAOYSA-N 0 0 475.632 7.588 1 0 JKAFRN COc1ccc2c(c1)O[C@H](c1ccc(O)cc1)C/C2=C\c1ccc(OCc2ccccc2)cc1 ZINC000040767070 563148450 /nfs/dbraw/zinc/14/84/50/563148450.db2.gz GDOLZPLOYJDXLN-SVTLXGSVSA-N 0 0 450.534 7.044 1 0 JKAFRN CCOC(=O)c1c[n-]c2sc(-c3ccc(OC)cc3)c(C[N@H+](C)Cc3ccccc3)c2c1=O ZINC000040810755 563148687 /nfs/dbraw/zinc/14/86/87/563148687.db2.gz YEEFTSBMAXQXJW-UHFFFAOYSA-N 0 0 462.571 5.486 1 0 JKAFRN C[C@H](C[NH2+]CCCCCCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040810618 563148696 /nfs/dbraw/zinc/14/86/96/563148696.db2.gz QWQFPPVMSBGIJB-LZHHRLKSSA-N 0 0 459.715 6.187 1 0 JKAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000040835049 563148955 /nfs/dbraw/zinc/14/89/55/563148955.db2.gz UZFLTJRVRHNPPD-SSEXGKCCSA-N 0 0 491.631 6.092 1 0 JKAFRN COc1ccc(NC(=O)Nc2nn(C)c3cc(Oc4ccnc5cc(OC)c(OC)cc54)ccc23)cc1 ZINC000040836436 563149032 /nfs/dbraw/zinc/14/90/32/563149032.db2.gz HLDPCWVHINDNOE-UHFFFAOYSA-N 0 0 499.527 5.584 1 0 JKAFRN O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cncc(Br)c1 ZINC000040846585 563149273 /nfs/dbraw/zinc/14/92/73/563149273.db2.gz MTAQJCKTOXNWKQ-UHFFFAOYSA-N 0 0 479.178 5.320 1 0 JKAFRN COCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cn2)n1 ZINC000040847852 563149447 /nfs/dbraw/zinc/14/94/47/563149447.db2.gz DGOMZWWTBMNQBA-UHFFFAOYSA-N 0 0 479.384 6.014 1 0 JKAFRN O=C(c1csc2ccccc12)N([C@@H](CO)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040848128 563149504 /nfs/dbraw/zinc/14/95/04/563149504.db2.gz VTZPWCWJBVZCSF-OAQYLSRUSA-N 0 0 486.033 5.286 1 0 JKAFRN CCCCCC[C@H](Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)C(=O)OCC ZINC000040848012 563149529 /nfs/dbraw/zinc/14/95/29/563149529.db2.gz CWBBKUQRXUYOKV-QHCPKHFHSA-N 0 0 498.092 7.403 1 0 JKAFRN CCCCCC[C@@H](Sc1nc(Cl)cc(NCc2ccc(-c3ccccc3)cc2)n1)C(=O)OCC ZINC000040848013 563149530 /nfs/dbraw/zinc/14/95/30/563149530.db2.gz CWBBKUQRXUYOKV-HSZRJFAPSA-N 0 0 498.092 7.403 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4o3)c3ccccc23)n1 ZINC000040848010 563149543 /nfs/dbraw/zinc/14/95/43/563149543.db2.gz JDNWHCLQTRJTAJ-UHFFFAOYSA-N 0 0 460.497 6.411 1 0 JKAFRN O=C(c1sc(N(CCc2cccs2)Cc2ccccc2)nc1-c1ccco1)c1ccccc1 ZINC000040848374 563149603 /nfs/dbraw/zinc/14/96/03/563149603.db2.gz CODZQUKWDQBJNQ-UHFFFAOYSA-N 0 0 470.619 6.945 1 0 JKAFRN O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1)Nc1c(F)cccc1F ZINC000040848358 563149626 /nfs/dbraw/zinc/14/96/26/563149626.db2.gz SRXBHDRYWBAEKG-UHFFFAOYSA-N 0 0 469.919 5.923 1 0 JKAFRN Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc43)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1 ZINC000040848821 563149684 /nfs/dbraw/zinc/14/96/84/563149684.db2.gz DPHRUYVHBJQPJC-UHFFFAOYSA-N 0 0 472.451 5.251 1 0 JKAFRN CCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F ZINC000040848557 563149685 /nfs/dbraw/zinc/14/96/85/563149685.db2.gz DGBUVSLRNXAUMV-UHFFFAOYSA-N 0 0 463.528 5.832 1 0 JKAFRN Nn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000040848748 563149700 /nfs/dbraw/zinc/14/97/00/563149700.db2.gz YBKIVFPOENTBJP-UHFFFAOYSA-N 0 0 481.167 5.142 1 0 JKAFRN CCCCC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 ZINC000040865179 563150821 /nfs/dbraw/zinc/15/08/21/563150821.db2.gz GSCQAPMQOGXKJT-UHFFFAOYSA-N 0 0 459.292 5.008 1 0 JKAFRN Nc1scc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000040862442 563150331 /nfs/dbraw/zinc/15/03/31/563150331.db2.gz PIGHLLPGQFTIDD-UHFFFAOYSA-N 0 0 479.955 5.556 1 0 JKAFRN COC(=O)CNC(=O)CCCc1ccccc1NC(=O)CCCCCCCCCc1ccccc1 ZINC000040862560 563150344 /nfs/dbraw/zinc/15/03/44/563150344.db2.gz HXIJXHMEBRSEGW-UHFFFAOYSA-N 0 0 480.649 5.601 1 0 JKAFRN Cn1c(=O)c2ccccc2nc1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000040863148 563150486 /nfs/dbraw/zinc/15/04/86/563150486.db2.gz BDJWWNSBQCHNKP-JOCHJYFZSA-N 0 0 459.347 5.052 1 0 JKAFRN COc1ccc2c(c1)c(C(=O)c1nc(-c3ccccn3)no1)c(C)n2Cc1ccc(Cl)cc1 ZINC000040865553 563150915 /nfs/dbraw/zinc/15/09/15/563150915.db2.gz YFEXRICOCHYZPT-UHFFFAOYSA-N 0 0 458.905 5.336 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1 ZINC000040865603 563150939 /nfs/dbraw/zinc/15/09/39/563150939.db2.gz XJRBOTXKMKYMBO-UHFFFAOYSA-N 0 0 483.330 6.885 1 0 JKAFRN COc1ccc(-c2nnc(-n3c(/C=C/c4cccc(Cl)c4)nc4ccccc4c3=O)s2)cc1 ZINC000040872609 563151395 /nfs/dbraw/zinc/15/13/95/563151395.db2.gz KIMOTNUHCFKOAZ-NTEUORMPSA-N 0 0 472.957 5.737 1 0 JKAFRN Cc1ccc([C@H]2[C@@H](C)C(=O)C[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040873263 563151691 /nfs/dbraw/zinc/15/16/91/563151691.db2.gz SNDKQNAEBJFOAS-YRKLHJTHSA-N 0 0 451.570 5.573 1 0 JKAFRN COCCOc1nc2c(ncn2/C=C/c2c(C)cccc2C)c(Nc2ccc(P(C)(C)=O)cc2)n1 ZINC000040873641 563151764 /nfs/dbraw/zinc/15/17/64/563151764.db2.gz PXEXUKNUARXICD-BUHFOSPRSA-N 0 0 491.532 5.088 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccc(Br)cc2)c2ccccc2Cl)CC1 ZINC000040874264 563151968 /nfs/dbraw/zinc/15/19/68/563151968.db2.gz POTQARLKMQWNDY-QHCPKHFHSA-N 0 0 490.873 5.852 1 0 JKAFRN COc1cc(O)ccc1[C@@H]1CC(C)=C[C@H]2c3cc4ccc(=O)oc4cc3O[C@H](c3ccc(O)cc3)[C@H]21 ZINC000040874656 563152037 /nfs/dbraw/zinc/15/20/37/563152037.db2.gz YECGSLHMDGBPTB-PPSLNNBKSA-N 0 0 482.532 6.180 1 0 in-vivo JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Cl)c(Cl)c4)cc32)cc1OC ZINC000040875191 563152238 /nfs/dbraw/zinc/15/22/38/563152238.db2.gz FJVCKYZTBUBSJY-UHFFFAOYSA-N 0 0 484.343 6.341 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)cc32)cc1OC ZINC000040875193 563152239 /nfs/dbraw/zinc/15/22/39/563152239.db2.gz KIAPRDJMCYXJOV-UHFFFAOYSA-N 0 0 484.343 6.341 1 0 JKAFRN CCN(CC)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000040875179 563152245 /nfs/dbraw/zinc/15/22/45/563152245.db2.gz YCFZFWXDBBGAGB-UHFFFAOYSA-N 0 0 479.455 7.809 1 0 JKAFRN O=C([O-])C1(c2ccccc2)C[C@H]2CC[C@@H](C1)[N@H+]2C(c1ccccc1Cl)c1ccccc1Cl ZINC000040875726 563152311 /nfs/dbraw/zinc/15/23/11/563152311.db2.gz UOPDUTKOYLKDSY-NNJHRLFQSA-N 0 0 466.408 6.732 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 ZINC000040876654 563152491 /nfs/dbraw/zinc/15/24/91/563152491.db2.gz QEZARKQDWWNRLZ-UHFFFAOYSA-N 0 0 479.367 7.055 1 0 JKAFRN COc1cccc2c(-c3ccc4c(c3OC(C)=O)[C@@H](C)N(C(C)=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000040877423 563152576 /nfs/dbraw/zinc/15/25/76/563152576.db2.gz MPTMMYFKLVTMKW-IAGOWNOFSA-N 0 0 461.558 5.612 1 0 JKAFRN CN(c1ccc(C(F)(F)F)cc1)c1ncnc2sc(Nc3c(Cl)cccc3Cl)nc21 ZINC000040878663 563152625 /nfs/dbraw/zinc/15/26/25/563152625.db2.gz QDCWINABJHVJQB-UHFFFAOYSA-N 0 0 470.307 6.923 1 0 JKAFRN O=C(Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000040878155 563152626 /nfs/dbraw/zinc/15/26/26/563152626.db2.gz BSAHVFYHOMVEIU-UHFFFAOYSA-N 0 0 475.833 6.829 1 0 JKAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1Nc1cccc2ccccc21 ZINC000040880405 563152908 /nfs/dbraw/zinc/15/29/08/563152908.db2.gz KRYGITSWWLJPSK-UHFFFAOYSA-N 0 0 480.999 7.017 1 0 JKAFRN CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(-c3ccc(C(F)(F)F)cc3)cc2c2n[nH]c(=O)n21 ZINC000040881021 563152916 /nfs/dbraw/zinc/15/29/16/563152916.db2.gz BJZUFWMYCASYFE-UHFFFAOYSA-N 0 0 497.908 6.270 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)CC1 ZINC000040881217 563153000 /nfs/dbraw/zinc/15/30/00/563153000.db2.gz WYJKUPYMQJTADT-XMMPIXPASA-N 0 0 494.001 6.356 1 0 JKAFRN CCc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)c2ccc(OC)cc2)[nH]c1=O ZINC000040895662 563153876 /nfs/dbraw/zinc/15/38/76/563153876.db2.gz MQFWTPKYESGXOO-UHFFFAOYSA-N 0 0 463.386 5.214 1 0 JKAFRN C[P@@](=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCc1cccnc1 ZINC000040896709 563154005 /nfs/dbraw/zinc/15/40/05/563154005.db2.gz YUGYFUOJZVHTHY-YTTGMZPUSA-N 0 0 477.526 6.269 1 0 JKAFRN O=C(c1csc2ccccc12)N(CCOc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040897018 563154054 /nfs/dbraw/zinc/15/40/54/563154054.db2.gz ZDBOARPLZUEUAT-UHFFFAOYSA-N 0 0 472.006 5.762 1 0 JKAFRN Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000040898043 563154265 /nfs/dbraw/zinc/15/42/65/563154265.db2.gz VGKHYFSWFRIGOW-LJQANCHMSA-N 0 0 453.892 5.322 1 0 JKAFRN Cc1ccc([C@H]2[C@@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(C)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040899773 563154523 /nfs/dbraw/zinc/15/45/23/563154523.db2.gz KMNOSTLBPLPSEO-ZNZFJZNRSA-N 0 0 465.597 5.819 1 0 JKAFRN Cc1c(C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccc(Cl)cc2)n1Cc1ccc(F)cc1 ZINC000040900081 563154636 /nfs/dbraw/zinc/15/46/36/563154636.db2.gz FKAGRGBWOYJFMX-UHFFFAOYSA-N 0 0 455.316 5.673 1 0 JKAFRN Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1 ZINC000040900700 563154712 /nfs/dbraw/zinc/15/47/12/563154712.db2.gz KIHFPLPVTMXHFP-UHFFFAOYSA-N 0 0 480.567 5.692 1 0 JKAFRN CN(C)C(=O)C[N@@H+]1CC[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@@H]21 ZINC000040901470 563154802 /nfs/dbraw/zinc/15/48/02/563154802.db2.gz CGHXGXFIGBBVIW-RBTNQOKQSA-N 0 0 485.628 5.519 1 0 JKAFRN CCOC(=O)[C@@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000040901379 563154825 /nfs/dbraw/zinc/15/48/25/563154825.db2.gz PVUSNWSCRYFKFI-IZEXYCQBSA-N 0 0 460.577 6.149 1 0 JKAFRN O=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NCc1ccccc1 ZINC000040913631 563155039 /nfs/dbraw/zinc/15/50/39/563155039.db2.gz VDWFFVHQYPMHCQ-UHFFFAOYSA-N 0 0 471.775 5.889 1 0 JKAFRN CCOC(=O)C1C(Nc2ccccc2)=C[C@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000040914684 563155281 /nfs/dbraw/zinc/15/52/81/563155281.db2.gz VHNNWENYRZGOLX-XRKRLSELSA-N 0 0 476.580 6.099 1 0 JKAFRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@H](c2cccnc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000040914686 563155316 /nfs/dbraw/zinc/15/53/16/563155316.db2.gz VHNNWENYRZGOLX-LMSSTIIKSA-N 0 0 476.580 6.099 1 0 JKAFRN O=C(NCc1ccccc1)n1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 ZINC000040915600 563155458 /nfs/dbraw/zinc/15/54/58/563155458.db2.gz FQZXCUPXKJLHOJ-UHFFFAOYSA-N 0 0 457.748 6.330 1 0 JKAFRN COc1cc(-c2nn(-c3ccccc3)c3nnc(-c4ccc(Cl)cc4)nc23)cc(OC)c1OC ZINC000040915990 563155575 /nfs/dbraw/zinc/15/55/75/563155575.db2.gz KGPOROWRNBAXAR-UHFFFAOYSA-N 0 0 473.920 5.224 1 0 JKAFRN Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040916341 563155655 /nfs/dbraw/zinc/15/56/55/563155655.db2.gz YIMORLFQIDTJNM-UHFFFAOYSA-N 0 0 450.538 6.314 1 0 JKAFRN CCCCCOc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040917356 563155899 /nfs/dbraw/zinc/15/58/99/563155899.db2.gz KCNMMQBEJWRNHT-UHFFFAOYSA-N 0 0 453.336 5.166 1 0 JKAFRN C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040918193 563156098 /nfs/dbraw/zinc/15/60/98/563156098.db2.gz LNUBBBYVDMVCFP-GDLZYMKVSA-N 0 0 490.607 6.300 1 0 JKAFRN C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040918192 563156119 /nfs/dbraw/zinc/15/61/19/563156119.db2.gz LNUBBBYVDMVCFP-LJAQVGFWSA-N 0 0 490.607 6.300 1 0 JKAFRN CCn1cc(C(N)=O)c(=O)c2cc(F)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000040918408 563156268 /nfs/dbraw/zinc/15/62/68/563156268.db2.gz WCXFWXWHIWJTTK-UHFFFAOYSA-N 0 0 450.560 5.562 1 0 JKAFRN CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F ZINC000040918360 563156274 /nfs/dbraw/zinc/15/62/74/563156274.db2.gz VTHPUFGBIATHEY-PGMHBOJBSA-N 0 0 498.961 5.430 1 0 JKAFRN O=C([O-])c1ccc(CC[NH+]2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040919164 563156563 /nfs/dbraw/zinc/15/65/63/563156563.db2.gz OYJBSECNVBWQIE-UHFFFAOYSA-N 0 0 483.568 5.951 1 0 JKAFRN CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000040933326 563156824 /nfs/dbraw/zinc/15/68/24/563156824.db2.gz MCACKYGWBBVINR-AREMUKBSSA-N 0 0 467.613 6.386 1 0 JKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1 ZINC000040933688 563156951 /nfs/dbraw/zinc/15/69/51/563156951.db2.gz WXFZPNQLVUNFGP-GOSISDBHSA-N 0 0 462.594 6.293 1 0 JKAFRN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C[C@@H]1CCCCN1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000040933641 563156956 /nfs/dbraw/zinc/15/69/56/563156956.db2.gz JIPOFIWAMSCXGA-VWLOTQADSA-N 0 0 487.600 5.102 1 0 JKAFRN Cc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc(-c2ccccc2)n1Cc1ccc(Cl)cc1 ZINC000040934058 563157170 /nfs/dbraw/zinc/15/71/70/563157170.db2.gz HYUFLDOZQHZSJK-UHFFFAOYSA-N 0 0 459.033 6.720 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@H](C)c3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934183 563157338 /nfs/dbraw/zinc/15/73/38/563157338.db2.gz UVFAVFCHWWKWNA-OAHLLOKOSA-N 0 0 454.521 7.053 1 0 JKAFRN Cc1c(-c2nnc(C3CCC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040934294 563157353 /nfs/dbraw/zinc/15/73/53/563157353.db2.gz PLSCQJDBUQTFAU-UHFFFAOYSA-N 0 0 475.832 7.594 1 0 JKAFRN CCc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040934472 563157421 /nfs/dbraw/zinc/15/74/21/563157421.db2.gz KFJLPMOFICMCAV-UHFFFAOYSA-N 0 0 491.875 7.878 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@H](C)CCc3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934647 563157532 /nfs/dbraw/zinc/15/75/32/563157532.db2.gz HWFPDESMUYPUDR-QGZVFWFLSA-N 0 0 482.575 7.313 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@@H](C)CCc3ccccc3)c2)c(-c2cccc(C(F)(F)F)c2)[nH]1 ZINC000040934645 563157571 /nfs/dbraw/zinc/15/75/71/563157571.db2.gz HWFPDESMUYPUDR-KRWDZBQOSA-N 0 0 482.575 7.313 1 0 JKAFRN C[C@H](Nc1nccc(-c2ncn(Cc3ccc(C(N)=O)cc3)c2-c2ccc(F)cc2)n1)c1ccccc1 ZINC000040934933 563157638 /nfs/dbraw/zinc/15/76/38/563157638.db2.gz ZFSPJTXISGTVLZ-IBGZPJMESA-N 0 0 492.558 5.467 1 0 JKAFRN CCCCCCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040934982 563157671 /nfs/dbraw/zinc/15/76/71/563157671.db2.gz DQJAMGROLYLFLS-UHFFFAOYSA-N 0 0 451.364 5.720 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000040936898 563158086 /nfs/dbraw/zinc/15/80/86/563158086.db2.gz YJQLUZMMGLNPAG-GRKNLSHJSA-N 0 0 495.022 6.802 1 0 JKAFRN CCCCCCC(C)(C)c1cc(O)cc(OCCCCCCCCCCCC(=O)NCC2CC2)c1 ZINC000040936961 563158107 /nfs/dbraw/zinc/15/81/07/563158107.db2.gz DIEBGBYDJDEKSK-UHFFFAOYSA-N 0 0 487.769 8.446 1 0 JKAFRN Nc1nc2[nH]c(CCc3ccc4ccccc4c3)cc2c(Nc2cccc(Br)c2)n1 ZINC000040937318 563158188 /nfs/dbraw/zinc/15/81/88/563158188.db2.gz MPXBINGDRCKJQG-UHFFFAOYSA-N 0 0 458.363 5.985 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000040937103 563158238 /nfs/dbraw/zinc/15/82/38/563158238.db2.gz ZQXIXNXSPRXVEY-DLFZDVPBSA-N 0 0 474.560 5.789 1 0 JKAFRN COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC ZINC000040937617 563158334 /nfs/dbraw/zinc/15/83/34/563158334.db2.gz HOLKOZRNWNJDFB-UHFFFAOYSA-N 0 0 460.490 5.150 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000040938073 563158443 /nfs/dbraw/zinc/15/84/43/563158443.db2.gz XRXVETUVIWTMSY-POURPWNDSA-N 0 0 461.565 5.544 1 0 JKAFRN Cc1ccc2cc(/C=C3\c4ccccc4N(c4c(Cl)cccc4Cl)C3=O)c(Cl)nc2c1C ZINC000040937709 563158449 /nfs/dbraw/zinc/15/84/49/563158449.db2.gz YXNMECHWQBFKSS-CPNJWEJPSA-N 0 0 479.794 8.031 1 0 JKAFRN c1cncc(CSc2nc3cc(-c4ccc5[nH]c(SCc6cccnc6)nc5c4)ccc3[nH]2)c1 ZINC000040938429 563158505 /nfs/dbraw/zinc/15/85/05/563158505.db2.gz JFUFBBNRLVVAEU-UHFFFAOYSA-N 0 0 480.622 6.481 1 0 JKAFRN COc1ccc([C@@H]2[C@@H](CCC(O)(c3ccccc3)c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000040939458 563158676 /nfs/dbraw/zinc/15/86/76/563158676.db2.gz MIHAVYOLAYILJU-FQLXRVMXSA-N 0 0 481.567 6.255 1 0 JKAFRN CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccccc5C(F)(F)F)o4)nn23)cc1 ZINC000040949572 563159205 /nfs/dbraw/zinc/15/92/05/563159205.db2.gz ROWABGHNNOQSOQ-UHFFFAOYSA-N 0 0 472.517 6.444 1 0 JKAFRN Cc1cc(NC(=O)c2ccc(CN3CCOCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040950577 563159382 /nfs/dbraw/zinc/15/93/82/563159382.db2.gz AJFFMCYCBLUOFI-UHFFFAOYSA-N 0 0 497.039 5.013 1 0 JKAFRN COc1cc2c(cc1OC)[C@H](Cc1ccc(Cl)c(Cl)c1)N(CC(=O)NCc1ccccc1)CC2 ZINC000040950591 563159487 /nfs/dbraw/zinc/15/94/87/563159487.db2.gz FIPKTJXYARUTNO-DEOSSOPVSA-N 0 0 499.438 5.469 1 0 JKAFRN CCCCn1c2ccccc2c2cc(C(=O)OCC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000040951179 563159599 /nfs/dbraw/zinc/15/95/99/563159599.db2.gz BQJHBIHTQOLOGV-UHFFFAOYSA-N 0 0 462.546 5.859 1 0 JKAFRN Cn1cc(C2=C(c3coc4cc(OCC5CC5)ccc43)C(=O)NC2=O)c2cc(F)c(Cl)cc21 ZINC000040951505 563159661 /nfs/dbraw/zinc/15/96/61/563159661.db2.gz PSPCPBAGSCATKY-UHFFFAOYSA-N 0 0 464.880 5.073 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2cc(OC)ccc2[nH]c1-c1ccccc1 ZINC000040952719 563160022 /nfs/dbraw/zinc/16/00/22/563160022.db2.gz BBPHKSPXQCXKLG-UHFFFAOYSA-N 0 0 462.634 7.015 1 0 JKAFRN CNC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)cc1-c1ccccc1 ZINC000040952775 563160102 /nfs/dbraw/zinc/16/01/02/563160102.db2.gz OQZJQBXHKDDFHJ-UHFFFAOYSA-N 0 0 487.607 5.819 1 0 JKAFRN CN(CCCC1CCC2(CC1)OCc1ccccc12)C(=O)[C@H](c1ccc(F)c(F)c1)n1cccn1 ZINC000040953522 563160231 /nfs/dbraw/zinc/16/02/31/563160231.db2.gz ZDWRWVXWVHMQNH-DAHSEUATSA-N 0 0 479.571 5.605 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2cccc(Br)c2)cc1-c1ccccc1 ZINC000040953735 563160371 /nfs/dbraw/zinc/16/03/71/563160371.db2.gz WTAOVRKSZQTNDB-UHFFFAOYSA-N 0 0 476.374 5.760 1 0 JKAFRN CC(C)CNc1nc(CCc2ccccc2)cc(N(Cc2ccccc2)C(=O)OC(C)(C)C)n1 ZINC000040954084 563160429 /nfs/dbraw/zinc/16/04/29/563160429.db2.gz KMDVEAGGOWCBNY-UHFFFAOYSA-N 0 0 460.622 6.271 1 0 JKAFRN O=C(O[C@H]1CCC[C@H]2CCCC[C@H]21)c1cc(CO)cc(C(=O)O[C@H]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000040956845 563161060 /nfs/dbraw/zinc/16/10/60/563161060.db2.gz YVGUBLNADARCND-RXBYFJHGSA-N 0 0 468.634 6.210 1 0 JKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1F ZINC000040957752 563161202 /nfs/dbraw/zinc/16/12/02/563161202.db2.gz XQRRQHCJEABQOH-UHFFFAOYSA-N 0 0 481.793 5.499 1 0 JKAFRN CCCCn1cnc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)c1C ZINC000040972499 563161248 /nfs/dbraw/zinc/16/12/48/563161248.db2.gz PHERMJLGZFYQCH-UHFFFAOYSA-N 0 0 484.692 6.155 1 0 JKAFRN Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c2ncnc3N2CCCCC2)cc1 ZINC000040973206 563161517 /nfs/dbraw/zinc/16/15/17/563161517.db2.gz JQNLVQKIAYWCJT-UHFFFAOYSA-N 0 0 458.780 6.433 1 0 JKAFRN CCCN1C(c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)=NC(=O)C1(C)C ZINC000040973997 563161677 /nfs/dbraw/zinc/16/16/77/563161677.db2.gz WQUXRUMJZRILOM-UHFFFAOYSA-N 0 0 489.834 6.585 1 0 JKAFRN CCOC(=O)c1ccc(-c2csc3nc(-c4ccc(OCc5ccccc5)cc4)nn23)cc1 ZINC000040974535 563161812 /nfs/dbraw/zinc/16/18/12/563161812.db2.gz DTNHTQNHTNGKBX-UHFFFAOYSA-N 0 0 455.539 5.881 1 0 JKAFRN CCc1c(C2=NC(=O)C(C)(C)N2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040979478 563162346 /nfs/dbraw/zinc/16/23/46/563162346.db2.gz NTXYYNYODFLYGT-UHFFFAOYSA-N 0 0 475.807 6.059 1 0 JKAFRN O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc32)c(F)c1 ZINC000040979394 563162375 /nfs/dbraw/zinc/16/23/75/563162375.db2.gz VVILWTFRDKYFFA-UHFFFAOYSA-N 0 0 499.477 5.586 1 0 JKAFRN CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)OCCc1ccccc1 ZINC000040980076 563162480 /nfs/dbraw/zinc/16/24/80/563162480.db2.gz OXZHQCKVHXGGJK-HAVVHWLPSA-N 0 0 464.646 7.465 1 0 JKAFRN Cc1[nH]c(C)c(-c2cccc(Oc3ccc(OC(F)(F)F)cc3)c2)c(=O)c1Br ZINC000040980598 563162518 /nfs/dbraw/zinc/16/25/18/563162518.db2.gz RRTXNBCPMZPRHN-UHFFFAOYSA-N 0 0 454.242 6.112 1 0 JKAFRN Cc1cc(C)c(-n2c(Cl)cn3c(CN(CC4CC4)CC(F)(F)F)c(C(F)(F)F)nc32)c(C)c1 ZINC000042857443 563162965 /nfs/dbraw/zinc/16/29/65/563162965.db2.gz SBJNCMSWCOYIHJ-UHFFFAOYSA-N 0 0 492.895 6.497 1 0 JKAFRN C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@@H]6[C@]7(C[C@@]57CC[C@]34C)CCC(=O)C6(C)C)O2)OC1=O ZINC000042876376 563163035 /nfs/dbraw/zinc/16/30/35/563163035.db2.gz FORKGDHQGWOTTB-QDHGOWRDSA-N 0 0 468.678 6.309 1 0 JKAFRN CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C2CC2)o1 ZINC000042877961 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Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)COc5ccccc5C(N)=O)cc4)c3)nc21 ZINC000045190911 563175630 /nfs/dbraw/zinc/17/56/30/563175630.db2.gz BPKDHPDAIUODEA-UHFFFAOYSA-N 0 0 476.536 5.322 1 0 JKAFRN O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(OCCN2CCCCC2)c1 ZINC000045191431 563175794 /nfs/dbraw/zinc/17/57/94/563175794.db2.gz ILKCXDOMXHJRDZ-DHZHZOJOSA-N 0 0 463.803 5.619 1 0 JKAFRN O=C(Cc1cccc(O)c1)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045191484 563175887 /nfs/dbraw/zinc/17/58/87/563175887.db2.gz LCTHIVSFQPTLMT-UHFFFAOYSA-N 0 0 487.481 6.803 1 0 JKAFRN Cn1cc(Br)c(-c2cccc(Nc3ccnc4cc(-c5nccs5)ccc43)c2)n1 ZINC000045191684 563175917 /nfs/dbraw/zinc/17/59/17/563175917.db2.gz GPWUATLAXIACJT-UHFFFAOYSA-N 0 0 462.376 6.265 1 0 JKAFRN O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccc(O)c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045191924 563176030 /nfs/dbraw/zinc/17/60/30/563176030.db2.gz FJMXLUDHIGYESJ-SFHVURJKSA-N 0 0 475.416 5.667 1 0 JKAFRN CCOc1cc2ncnc(Nc3ccc(OCc4ccccc4F)c(Cl)c3)c2cc1OCC ZINC000045192290 563176182 /nfs/dbraw/zinc/17/61/82/563176182.db2.gz UTUHGKFWGQNYTN-UHFFFAOYSA-N 0 0 467.928 6.542 1 0 JKAFRN CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n([C@H](C)C(C)C)c2c1 ZINC000045192094 563176197 /nfs/dbraw/zinc/17/61/97/563176197.db2.gz RMTFVQFRECCEER-IAGOWNOFSA-N 0 0 463.047 6.036 1 0 JKAFRN C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045192343 563176291 /nfs/dbraw/zinc/17/62/91/563176291.db2.gz POOCNGLPOYEQQS-NSYGIPOTSA-N 0 0 493.529 6.291 1 0 JKAFRN CCC[C@@H](C)C(=O)N1CCO[C@@](COCc2cccc(C(F)(F)F)c2)(c2ccc(Cl)cc2)C1 ZINC000045195739 563177590 /nfs/dbraw/zinc/17/75/90/563177590.db2.gz NMJMDSVFZKLLII-KOSHJBKYSA-N 0 0 483.958 6.066 1 0 JKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(=O)c1I ZINC000045196249 563177874 /nfs/dbraw/zinc/17/78/74/563177874.db2.gz MXEFYNPZWNGTKR-UHFFFAOYSA-N 0 0 451.691 5.709 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)s3)nc21 ZINC000045201040 563177946 /nfs/dbraw/zinc/17/79/46/563177946.db2.gz OPDCBRIMWDEDDG-UHFFFAOYSA-N 0 0 476.609 6.137 1 0 JKAFRN O=C(Cc1ccc[n+]([O-])c1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045201034 563177961 /nfs/dbraw/zinc/17/79/61/563177961.db2.gz OSRRIHZPYVKXLV-UHFFFAOYSA-N 0 0 488.469 5.730 1 0 JKAFRN CC[C@@H](C)NC(=O)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045201704 563178261 /nfs/dbraw/zinc/17/82/61/563178261.db2.gz JLZUEAJXOOXOEJ-OAHLLOKOSA-N 0 0 452.480 6.836 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)C[C@H]5NC(=O)c6ccccc65)cc4)c3)nc21 ZINC000045201911 563178486 /nfs/dbraw/zinc/17/84/86/563178486.db2.gz UDBXBSLBGMVUOW-AREMUKBSSA-N 0 0 472.548 6.019 1 0 JKAFRN CS(=O)(=O)CCNCc1ccc(-c2ccc3c(c2)nccc3Nc2ccc(Cl)cc2F)o1 ZINC000045202450 563178707 /nfs/dbraw/zinc/17/87/07/563178707.db2.gz YRHLSOFNUSGATM-UHFFFAOYSA-N 0 0 473.957 5.165 1 0 JKAFRN O=C(Nc1cncc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045202617 563178837 /nfs/dbraw/zinc/17/88/37/563178837.db2.gz ZVDARRDSFMUQIY-UHFFFAOYSA-N 0 0 455.128 6.200 1 0 JKAFRN NC(=O)c1ccccc1OCC(=O)Nc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1 ZINC000045203066 563179139 /nfs/dbraw/zinc/17/91/39/563179139.db2.gz HLTMGWOWJDSKQM-UHFFFAOYSA-N 0 0 462.509 5.013 1 0 JKAFRN CCC[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c(-c2ccc(OC)cc2)c1 ZINC000045209807 563179240 /nfs/dbraw/zinc/17/92/40/563179240.db2.gz XVFAHNUZUNQOFA-DFBJGRDBSA-N 0 0 466.622 5.441 1 0 JKAFRN COc1ccccc1NC(=O)Nc1ccc(-c2ccc(-c3nc4c(cccc4C)[nH]3)s2)cc1 ZINC000045227497 563180037 /nfs/dbraw/zinc/18/00/37/563180037.db2.gz SXIPVBSXWPIKPO-UHFFFAOYSA-N 0 0 454.555 6.919 1 0 JKAFRN O=C(Cc1ccccn1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045227542 563180055 /nfs/dbraw/zinc/18/00/55/563180055.db2.gz WYZSMONJJYMDKM-UHFFFAOYSA-N 0 0 472.470 6.492 1 0 JKAFRN CCOc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045227752 563180148 /nfs/dbraw/zinc/18/01/48/563180148.db2.gz YICDOQVAOPFBKK-UHFFFAOYSA-N 0 0 474.775 6.519 1 0 JKAFRN O=S(=O)(c1c(Cl)cccc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045228398 563180415 /nfs/dbraw/zinc/18/04/15/563180415.db2.gz ZOJSUSVEDXOISU-UHFFFAOYSA-N 0 0 451.297 5.591 1 0 JKAFRN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)cn1 ZINC000045228630 563180499 /nfs/dbraw/zinc/18/04/99/563180499.db2.gz VEAWLNDQJSXQNJ-UHFFFAOYSA-N 0 0 465.488 5.642 1 0 JKAFRN CC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)c1 ZINC000045229549 563180823 /nfs/dbraw/zinc/18/08/23/563180823.db2.gz YRUNAPKIUBLTDA-UHFFFAOYSA-N 0 0 474.564 6.440 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)c5cnccc5C(F)(F)F)cc4)c3)nc21 ZINC000045229982 563181031 /nfs/dbraw/zinc/18/10/31/563181031.db2.gz WNMRVHMAUAGHJZ-UHFFFAOYSA-N 0 0 472.470 6.871 1 0 JKAFRN Cc1nc2sc3c(c2c2nc(Oc4cccc(F)c4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045244983 563181429 /nfs/dbraw/zinc/18/14/29/563181429.db2.gz DKQWUNKQLVOWNI-UHFFFAOYSA-N 0 0 457.530 6.114 1 0 JKAFRN CCOc1cc2ncnc(Nc3ccc(OCc4c(F)cccc4F)c(OC)c3)c2cc1OCC ZINC000045231275 563181439 /nfs/dbraw/zinc/18/14/39/563181439.db2.gz QTMYBBRGRCZSJZ-UHFFFAOYSA-N 0 0 481.499 6.037 1 0 JKAFRN COC(=O)c1ccc2c(c1)nc(C1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000045244925 563181489 /nfs/dbraw/zinc/18/14/89/563181489.db2.gz AYNUJPPUVVYHDG-OAQYLSRUSA-N 0 0 468.344 5.309 1 0 JKAFRN CN1c2ncnn2[C@H](c2ccc(Br)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(F)cc1 ZINC000045245981 563181877 /nfs/dbraw/zinc/18/18/77/563181877.db2.gz GBUBANXKZVPZGW-ISKFKSNPSA-N 0 0 489.348 5.764 1 0 JKAFRN CNc1ccc(/C=C/c2ccc(OCCCCCCCCCCCCCCCCF)cc2)cc1 ZINC000045254034 563182301 /nfs/dbraw/zinc/18/23/01/563182301.db2.gz KUPMZKJULILHTM-WUKNDPDISA-N 0 0 467.713 9.708 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000045255193 563182514 /nfs/dbraw/zinc/18/25/14/563182514.db2.gz QMBRQYNVRJHDHP-UHFFFAOYSA-N 0 0 499.533 6.355 1 0 JKAFRN Brc1cccc(Br)c1-c1nc2c([nH]1)c1ccccc1c1c2C=CCC1 ZINC000045255960 563182609 /nfs/dbraw/zinc/18/26/09/563182609.db2.gz UPLBEMLKALKPAH-UHFFFAOYSA-N 0 0 454.165 6.868 1 0 JKAFRN CNc1nc2ccccc2c(NCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000045257484 563182889 /nfs/dbraw/zinc/18/28/89/563182889.db2.gz ISTRBVPLLRSCKS-UHFFFAOYSA-N 0 0 451.452 5.555 1 0 JKAFRN COc1ccc(C(=O)[O-])c(Oc2nc(Oc3cccc(-c4cccc(C[NH3+])c4)c3)c(F)cc2F)c1 ZINC000045258337 563182973 /nfs/dbraw/zinc/18/29/73/563182973.db2.gz ZECRCJQWVKMLBY-UHFFFAOYSA-N 0 0 478.451 5.777 1 0 JKAFRN COc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Br)cc4)cc32)c1 ZINC000045259355 563183041 /nfs/dbraw/zinc/18/30/41/563183041.db2.gz NHKOPSZCNXBTPR-UHFFFAOYSA-N 0 0 480.391 5.953 1 0 JKAFRN Cc1ccc([C@@H]2C3=C(c4ccccc4O[C@H]3c3ccc(Br)cc3)N(C)c3ncnn32)cc1 ZINC000045259930 563183149 /nfs/dbraw/zinc/18/31/49/563183149.db2.gz XTOOFJKUOMSKAG-NOZRDPDXSA-N 0 0 485.385 5.933 1 0 JKAFRN N=C1C(=S)N(c2ccc(Br)cc2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000045260550 563183209 /nfs/dbraw/zinc/18/32/09/563183209.db2.gz LWDJZDNYJMDRSG-UHFFFAOYSA-N 0 0 462.678 5.873 1 0 JKAFRN C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000045261606 563183293 /nfs/dbraw/zinc/18/32/93/563183293.db2.gz PAKITLSAGWEJME-IRLDBZIGSA-N 0 0 491.599 5.713 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc(CCc2cccc(O)c2)cc1 ZINC000045283351 563183345 /nfs/dbraw/zinc/18/33/45/563183345.db2.gz JWIJBMTZBIEELR-UHFFFAOYSA-N 0 0 481.162 6.592 1 0 JKAFRN CC1=CCC[C@H]2[C@](C)(Cc3cc(O)c(Sc4nc5ccccc5s4)cc3O)[C@@H](C)CC[C@]12C ZINC000045283478 563183441 /nfs/dbraw/zinc/18/34/41/563183441.db2.gz VPPOPDFUCZOXCG-FSUXMIEUSA-N 0 0 479.711 8.200 1 0 JKAFRN FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccc(Cl)c4)cc32)c1 ZINC000045286559 563184040 /nfs/dbraw/zinc/18/40/40/563184040.db2.gz BQDFRLGLNRMBBW-UHFFFAOYSA-N 0 0 473.911 6.855 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Br)cc4)cc32)cc1 ZINC000045286561 563184043 /nfs/dbraw/zinc/18/40/43/563184043.db2.gz RSWNQYOZPXOWNQ-UHFFFAOYSA-N 0 0 480.391 5.953 1 0 JKAFRN Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000045287574 563184186 /nfs/dbraw/zinc/18/41/86/563184186.db2.gz APFSSRHVRZNBHU-UHFFFAOYSA-N 0 0 459.764 5.862 1 0 JKAFRN C[C@@H]1c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045287700 563184275 /nfs/dbraw/zinc/18/42/75/563184275.db2.gz LHKNBHBTVDFUOR-MRXNPFEDSA-N 0 0 465.962 5.579 1 0 JKAFRN FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc32)c1 ZINC000045288052 563184376 /nfs/dbraw/zinc/18/43/76/563184376.db2.gz ORNCCOKWIOGVDB-UHFFFAOYSA-N 0 0 473.911 6.855 1 0 JKAFRN CCCOc1c(C(=O)NC2=CCCCCC2)sc(C(=O)NC2=CCCCCC2)c1OCCC ZINC000045288706 563184506 /nfs/dbraw/zinc/18/45/06/563184506.db2.gz TYQARQWSJZHUIZ-UHFFFAOYSA-N 0 0 474.667 6.481 1 0 JKAFRN [NH3+]Cc1cccc(-c2cccc(Oc3nc(Oc4ccccc4CCC(=O)[O-])c(F)cc3F)c2)c1 ZINC000045289219 563184574 /nfs/dbraw/zinc/18/45/74/563184574.db2.gz OGNCUWBENZJMOV-UHFFFAOYSA-N 0 0 476.479 6.087 1 0 JKAFRN COc1ccc(CCNC(=O)c2nn(-c3ccc(F)cc3F)c(-n3c(C)ccc3C)c2C)cc1Cl ZINC000045288766 563184615 /nfs/dbraw/zinc/18/46/15/563184615.db2.gz MAKMSSOVIHZPJK-UHFFFAOYSA-N 0 0 498.961 5.501 1 0 JKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2CSC[C@H]2CCCO2)c1 ZINC000045290908 563184913 /nfs/dbraw/zinc/18/49/13/563184913.db2.gz FRYWHSJAVALHPJ-OAHLLOKOSA-N 0 0 485.387 5.109 1 0 JKAFRN CC(C)=C/C=C/[C@]1(C)CCc2c([C@@H]3CC(=O)c4c(O)c(CC=C(C)C)c(O)cc4O3)ccc(O)c2O1 ZINC000045291104 563184957 /nfs/dbraw/zinc/18/49/57/563184957.db2.gz FNYVZBJCIHYCGC-SBJKVECMSA-N 0 0 490.596 6.625 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2ncccn2)c(OC)c1OC ZINC000045291707 563185040 /nfs/dbraw/zinc/18/50/40/563185040.db2.gz ZUDGEGCZZMAIKW-UHFFFAOYSA-N 0 0 455.923 5.629 1 0 JKAFRN O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2c(O)cccc2C(F)(F)F)on1 ZINC000045298339 563185108 /nfs/dbraw/zinc/18/51/08/563185108.db2.gz VUJRTABJPGQIDR-QZTJIDSGSA-N 0 0 470.491 6.145 1 0 JKAFRN COc1ccc(-c2nc(-c3cccnc3)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045299004 563185271 /nfs/dbraw/zinc/18/52/71/563185271.db2.gz KLYOPRPTHPMATN-UHFFFAOYSA-N 0 0 477.567 6.190 1 0 JKAFRN Cc1c(C(=O)NCCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(F)cc2F)c1-n1cccc1 ZINC000045299612 563185356 /nfs/dbraw/zinc/18/53/56/563185356.db2.gz GSGNXDQKXQCLBM-UHFFFAOYSA-N 0 0 475.326 5.529 1 0 JKAFRN CC(C)(C)OC(=O)/C=C1/c2ccccc2-c2c1cccc2NC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000045300250 563185481 /nfs/dbraw/zinc/18/54/81/563185481.db2.gz HZVJEAJGGJHOPA-KNHRRAQVSA-N 0 0 467.521 5.821 1 0 JKAFRN CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)s1 ZINC000045302763 563186658 /nfs/dbraw/zinc/18/66/58/563186658.db2.gz VTDYYLGCIPXFES-UHFFFAOYSA-N 0 0 453.527 5.564 1 0 JKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)cc1)Nc1ccc(F)c(F)c1F ZINC000045302698 563186700 /nfs/dbraw/zinc/18/67/00/563186700.db2.gz DRYVABNNQGJDOM-UHFFFAOYSA-N 0 0 476.433 7.097 1 0 JKAFRN CC(C)(C)CC(=O)Nc1ccc(Nc2cc(-c3ccncc3)cc3ncc(C(N)=O)cc32)cc1 ZINC000045302832 563186830 /nfs/dbraw/zinc/18/68/30/563186830.db2.gz ROIXCBGBTOMNDA-UHFFFAOYSA-N 0 0 453.546 5.514 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)NCc5cccc(F)c5)c4)cc3)nc21 ZINC000045303023 563186928 /nfs/dbraw/zinc/18/69/28/563186928.db2.gz WBFOOSBPOCRXJH-UHFFFAOYSA-N 0 0 450.517 6.666 1 0 JKAFRN COc1ccc(-c2c(-c3cc(F)ccc3OC(C)C)cn3c2-c2cc(OC)c(OC)cc2CC3)cc1 ZINC000045302984 563187028 /nfs/dbraw/zinc/18/70/28/563187028.db2.gz BASLMULZDLJVQG-UHFFFAOYSA-N 0 0 487.571 6.997 1 0 JKAFRN Cc1nnsc1C(=O)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045303206 563187252 /nfs/dbraw/zinc/18/72/52/563187252.db2.gz ZEPJWHWYHXYPFH-UHFFFAOYSA-N 0 0 479.487 6.328 1 0 JKAFRN CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)n2ncnc2N3C)cc1 ZINC000045315836 563187422 /nfs/dbraw/zinc/18/74/22/563187422.db2.gz BBXDHIOIHODHLG-AOYPEHQESA-N 0 0 499.412 6.187 1 0 JKAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)C1 ZINC000045316136 563187438 /nfs/dbraw/zinc/18/74/38/563187438.db2.gz UFCQQICDUVMVOA-NZQKXSOJSA-N 0 0 491.599 5.713 1 0 JKAFRN Nc1nc2ccnc(-c3[nH]c(Br)c(CCCc4ccccc4)c3Br)c2[nH]1 ZINC000045317095 563187552 /nfs/dbraw/zinc/18/75/52/563187552.db2.gz 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CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)OC1=O)CC ZINC000045496894 563195947 /nfs/dbraw/zinc/19/59/47/563195947.db2.gz COCUGVDXZHJFOX-MUWMMEEDSA-N 0 0 486.693 7.034 1 0 JKAFRN COC(=O)Cc1cc(O)cc(C/C=C(/C)CCC(=O)[C@@H](C)CC/C=C(\C)C[C@H](O)C=C(C)C)c1O ZINC000045497890 563196122 /nfs/dbraw/zinc/19/61/22/563196122.db2.gz LNFJRIGXMMFYGW-KFAYNLDGSA-N 0 0 486.649 5.731 1 0 JKAFRN O=C(OC[C@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000045497527 563196136 /nfs/dbraw/zinc/19/61/36/563196136.db2.gz DQOQYRLHCNJDAP-IUVLWKGXSA-N 0 0 496.481 5.142 1 0 JKAFRN CCCP(=O)(CCC)c1ccc(Nc2nc(C(C)C)nc3c2ncn3/C=C\c2ccccc2)cc1 ZINC000045498268 563196210 /nfs/dbraw/zinc/19/62/10/563196210.db2.gz IQPVVCXHSILADO-MSUUIHNZSA-N 0 0 487.588 7.130 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)N(C(=O)NC1CCCCC1)CC2 ZINC000045505909 563196369 /nfs/dbraw/zinc/19/63/69/563196369.db2.gz HFYCLNPOEXMEHW-HSZRJFAPSA-N 0 0 473.411 5.456 1 0 JKAFRN O=C(CCCC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049033486 563198223 /nfs/dbraw/zinc/19/82/23/563198223.db2.gz NCPOSTPOYGDVLG-UHFFFAOYSA-N 0 0 488.675 6.923 1 0 JKAFRN CCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049034416 563198437 /nfs/dbraw/zinc/19/84/37/563198437.db2.gz OOBVFAPEUYZCPP-UHFFFAOYSA-N 0 0 477.483 6.002 1 0 JKAFRN CC(=O)Nc1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c(Cl)c2Cl)c1 ZINC000049035000 563198662 /nfs/dbraw/zinc/19/86/62/563198662.db2.gz XLJIRJVTVFQJAZ-IQGLISFBSA-N 0 0 459.417 6.660 1 0 JKAFRN O=C(c1ccccc1)N1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC000049035952 563198837 /nfs/dbraw/zinc/19/88/37/563198837.db2.gz MXFIWOYHQSHCOX-UHFFFAOYSA-N 0 0 463.368 5.566 1 0 JKAFRN Cc1cc(C)c(-n2c(Cl)cn3c(CN4CC[C@@H](c5ccccc5)C4)c(C(F)(F)F)nc32)c(C)c1 ZINC000049036241 563198939 /nfs/dbraw/zinc/19/89/39/563198939.db2.gz IYRGIUKTJQZQGM-HXUWFJFHSA-N 0 0 486.969 6.712 1 0 JKAFRN CCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049037241 563199159 /nfs/dbraw/zinc/19/91/59/563199159.db2.gz RASBRABSHNFWAA-UHFFFAOYSA-N 0 0 477.483 5.539 1 0 JKAFRN ClC(Cl)(Cl)[C@H]1c2cc3ccccc3nc2C=C(c2ccccc2)N1CCN1CCOCC1 ZINC000049037571 563199264 /nfs/dbraw/zinc/19/92/64/563199264.db2.gz JSDLJNSKCVQVRM-XMMPIXPASA-N 0 0 488.846 5.792 1 0 JKAFRN Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(F)cc2)cc1 ZINC000049046512 563199419 /nfs/dbraw/zinc/19/94/19/563199419.db2.gz SJFBDIJRNXAXRM-UHFFFAOYSA-N 0 0 450.286 6.933 1 0 in-vivo JKAFRN O=C1CC2(CCSCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049047477 563199542 /nfs/dbraw/zinc/19/95/42/563199542.db2.gz JDBYNYRWGYDPPR-UHFFFAOYSA-N 0 0 456.394 6.953 1 0 JKAFRN CCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049048200 563199584 /nfs/dbraw/zinc/19/95/84/563199584.db2.gz WAKOIDMSJVVKKI-UHFFFAOYSA-N 0 0 463.456 5.149 1 0 JKAFRN COc1ccc2cc([C@H](C)C(=O)OCc3ccc(OC(=O)OCCC(C)(C)C)cc3)ccc2c1 ZINC000049048410 563199607 /nfs/dbraw/zinc/19/96/07/563199607.db2.gz PZWSSADDCPREPY-IBGZPJMESA-N 0 0 464.558 6.647 1 0 JKAFRN Cc1ccc(NC(=O)Nc2c(F)cc(F)c(C)c2F)cc1-c1nc2c[nH]n(Cc3ccccc3)c-2n1 ZINC000049049655 563199815 /nfs/dbraw/zinc/19/98/15/563199815.db2.gz KBDRSXRGHBITGC-UHFFFAOYSA-N 0 0 490.489 6.153 1 0 JKAFRN CC(C)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC1(CCC1)C2 ZINC000049049539 563199819 /nfs/dbraw/zinc/19/98/19/563199819.db2.gz SNJLJLHEGUOVAN-NRFANRHFSA-N 0 0 471.563 7.262 1 0 JKAFRN Nc1ccc(/C=C/C(=O)N2CCN(C(=O)CCCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049050372 563199888 /nfs/dbraw/zinc/19/98/88/563199888.db2.gz SGBSGHFCOPKJPE-LVZFUZTISA-N 0 0 481.640 5.345 1 0 JKAFRN O=C(Nc1cccc(-c2ccnc3c(-c4cccnc4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049050408 563199891 /nfs/dbraw/zinc/19/98/91/563199891.db2.gz UAQFLCCYSVWUFS-UHFFFAOYSA-N 0 0 459.431 5.729 1 0 JKAFRN O=C(CO)N[C@@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049052763 563200086 /nfs/dbraw/zinc/20/00/86/563200086.db2.gz BCESLUSANYXCOI-HSZRJFAPSA-N 0 0 497.422 6.357 1 0 JKAFRN CCCc1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC1(CCC1)C2 ZINC000049051599 563200130 /nfs/dbraw/zinc/20/01/30/563200130.db2.gz MGJOFBAKSYLRPT-QFIPXVFZSA-N 0 0 471.563 7.091 1 0 JKAFRN Oc1ccc(/C=C/c2cc3c(c(O)c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000049053581 563200252 /nfs/dbraw/zinc/20/02/52/563200252.db2.gz KVGHRSAHESCTFR-PDCCCBJGSA-N 0 0 454.478 5.651 1 0 JKAFRN CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(CCCCc4ccccc4)[C@@H]2N3C)cc1 ZINC000049054843 563200438 /nfs/dbraw/zinc/20/04/38/563200438.db2.gz ARTUQDFHPDTROR-CDZUIXILSA-N 0 0 497.683 7.183 1 0 JKAFRN O=C(Nc1cccc(-c2ccnc3cc(-c4cccs4)nn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049067872 563200879 /nfs/dbraw/zinc/20/08/79/563200879.db2.gz ARMKBDOVOBCACP-UHFFFAOYSA-N 0 0 464.472 6.396 1 0 JKAFRN CCO[P@]1(=O)OC(c2ccc(CC)cc2)=C(I)c2ccc(Cl)cc21 ZINC000049068144 563200890 /nfs/dbraw/zinc/20/08/90/563200890.db2.gz DIBLDOJILFUBCA-DEOSSOPVSA-N 0 0 474.662 6.048 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c43)cc2)n(Cc2ccccc2)n1 ZINC000049068791 563200990 /nfs/dbraw/zinc/20/09/90/563200990.db2.gz XMRFQIBMKVNRGX-UHFFFAOYSA-N 0 0 497.559 5.230 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)cc3)c21 ZINC000049069675 563201089 /nfs/dbraw/zinc/20/10/89/563201089.db2.gz IGIJSSSOQUNKKG-UHFFFAOYSA-N 0 0 497.559 5.181 1 0 JKAFRN Cc1ccc([C@H](c2ccc(Cl)cc2Cl)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 ZINC000049070478 563201177 /nfs/dbraw/zinc/20/11/77/563201177.db2.gz LRFGNVCBHZJPNK-XMMPIXPASA-N 0 0 460.449 6.051 1 0 JKAFRN CO[C@](C)(CCCC(C)C)c1ccc(Cc2c(C)cc(Oc3cc(C)cc(O)c3)cc2O)cc1O ZINC000049070513 563201223 /nfs/dbraw/zinc/20/12/23/563201223.db2.gz BYIFXAQYMQCOCD-SSEXGKCCSA-N 0 0 478.629 7.491 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2cccc(Cl)c2)c2ccc(Cl)cc2Cl)CC1 ZINC000049070678 563201277 /nfs/dbraw/zinc/20/12/77/563201277.db2.gz IUMLKAWPFRUDQL-QHCPKHFHSA-N 0 0 480.867 6.396 1 0 JKAFRN O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn32)c1)Nc1cccc(C(F)(F)F)c1 ZINC000049072359 563201479 /nfs/dbraw/zinc/20/14/79/563201479.db2.gz MJVDIICPSKNKLF-UHFFFAOYSA-N 0 0 474.446 6.121 1 0 JKAFRN Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(c3ccncc3)CC2)nc2ncn(C)c21 ZINC000049072425 563201489 /nfs/dbraw/zinc/20/14/89/563201489.db2.gz VYQFEMYRQQJGKC-UHFFFAOYSA-N 0 0 455.610 5.492 1 0 JKAFRN Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)c2c(c1C)Cc1scnc1-2 ZINC000049073208 563201538 /nfs/dbraw/zinc/20/15/38/563201538.db2.gz JMEWMZJZKKQIDU-RBSBEOHCSA-N 0 0 461.907 6.692 1 0 JKAFRN C[C@H](Nc1cc(N(Cc2ccc(F)cc2)C(=O)N2CC[C@H]3C=CC=C[C@@H]3C2)ccn1)c1ccccc1 ZINC000049087591 563201576 /nfs/dbraw/zinc/20/15/76/563201576.db2.gz MZDVFSSURVBLHN-HDYLNDSGSA-N 0 0 482.603 6.585 1 0 JKAFRN Cc1ccc(C(C)(C)C)cc1Nc1nc(N2CCC(Oc3ccncc3)CC2)nc2ncn(C)c21 ZINC000049087773 563201626 /nfs/dbraw/zinc/20/16/26/563201626.db2.gz VHOLPMHUOZLFLQ-UHFFFAOYSA-N 0 0 471.609 5.156 1 0 JKAFRN CCc1cnc2c(cccc2C(F)(F)F)c1-c1cccc(-c2cccc(S(C)(=O)=O)c2)c1 ZINC000049088206 563201665 /nfs/dbraw/zinc/20/16/65/563201665.db2.gz DRNWBBRZORIYEI-UHFFFAOYSA-N 0 0 455.501 6.554 1 0 JKAFRN c1ccc2c(c1)c1ccncc1n2CCCCCCCCCn1c2ccccc2c2ccncc21 ZINC000049088209 563201673 /nfs/dbraw/zinc/20/16/73/563201673.db2.gz JJAATQLWMKLMJU-UHFFFAOYSA-N 0 0 460.625 8.123 1 0 in-vivo JKAFRN Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3O)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049088478 563201706 /nfs/dbraw/zinc/20/17/06/563201706.db2.gz JCVROSQVXIYMQF-NYHPBOSBSA-N 0 0 485.008 7.715 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000049088474 563201707 /nfs/dbraw/zinc/20/17/07/563201707.db2.gz AAJIHHYEPHRIET-IYWVPRTKSA-N 0 0 456.711 6.629 1 0 JKAFRN O=C(Nc1ccc(F)cc1F)c1cnccc1Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1 ZINC000049089094 563201824 /nfs/dbraw/zinc/20/18/24/563201824.db2.gz HWYYKWYJHADYMM-UHFFFAOYSA-N 0 0 475.430 6.163 1 0 JKAFRN Cc1ccc(C(=O)Nc2cccc3cnccc32)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1 ZINC000049089237 563201832 /nfs/dbraw/zinc/20/18/32/563201832.db2.gz RLIRAMLOVOAWPN-UHFFFAOYSA-N 0 0 486.539 5.250 1 0 JKAFRN COc1ccccc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 ZINC000049109457 563202105 /nfs/dbraw/zinc/20/21/05/563202105.db2.gz CMEKKGVRSHUBBM-UHFFFAOYSA-N 0 0 465.517 5.056 1 0 JKAFRN COc1cccc([C@H]2Oc3ccccc3N=C(c3ccc(O)cc3)C2C=Nc2ccc(Cl)cc2)c1 ZINC000049109629 563202154 /nfs/dbraw/zinc/20/21/54/563202154.db2.gz XLJATBBHFFLVCF-LTHLYLQDSA-N 0 0 482.967 7.305 1 0 JKAFRN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(Cl)c2)cc1)Cc1ccccn1 ZINC000049110273 563202172 /nfs/dbraw/zinc/20/21/72/563202172.db2.gz LCIASVBOSGQALQ-UHFFFAOYSA-N 0 0 483.420 6.447 1 0 JKAFRN O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccccc2)nc2nn(CCc3ccccc3)cc21 ZINC000049112237 563202422 /nfs/dbraw/zinc/20/24/22/563202422.db2.gz MZZFEGQYNUTPPX-UHFFFAOYSA-N 0 0 468.948 6.033 1 0 JKAFRN COc1ccc(N=CC2=C(c3ccc(O)cc3)Nc3ccccc3O[C@H]2c2ccccc2O)cc1 ZINC000049113047 563202561 /nfs/dbraw/zinc/20/25/61/563202561.db2.gz URUHGRQDPXGNNS-CUPRHGITSA-N 0 0 464.521 6.357 1 0 JKAFRN CO[C@@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(C)c1)cc(=O)n2C ZINC000049113711 563202722 /nfs/dbraw/zinc/20/27/22/563202722.db2.gz WAQCXGDPXYVGSB-LJAQVGFWSA-N 0 0 483.999 5.839 1 0 JKAFRN COc1cccc([C@@H]2CCO[P@](=O)(COc3cc(C)c(C)c4c3-c3ncsc3C4)O2)c1 ZINC000049114956 563202792 /nfs/dbraw/zinc/20/27/92/563202792.db2.gz NNBCYIMUIAZCEX-WWOZWPLTSA-N 0 0 457.488 6.047 1 0 JKAFRN CC(=O)C1(C(C)=O)Cc2ccc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)cc2C1 ZINC000049115140 563202807 /nfs/dbraw/zinc/20/28/07/563202807.db2.gz DLSWVRDRLFHXKU-JTODZQAJSA-N 0 0 472.625 5.399 1 0 JKAFRN CCOC(=O)CCCCCOc1ccc(C(c2ccc(O)cc2)=C2C3CCCC2CCC3)cc1 ZINC000049125499 563202948 /nfs/dbraw/zinc/20/29/48/563202948.db2.gz XAQWEDFIYPUZET-UHFFFAOYSA-N 0 0 462.630 7.297 1 0 JKAFRN CO[C@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccc(F)cc1)cc(=O)n2C ZINC000049125940 563202978 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CC(C)CCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1 ZINC000012725787 562960815 /nfs/dbraw/zinc/96/08/15/562960815.db2.gz KXFVPWVZNZEIDY-UHFFFAOYSA-N 0 0 472.010 5.326 3 0 JKAFRN O=C(NCc1cccc(Br)c1)[C@@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000012727112 562960920 /nfs/dbraw/zinc/96/09/20/562960920.db2.gz AUNXEZXPBGQNSI-INIZCTEOSA-N 0 0 495.217 5.296 3 0 JKAFRN Cc1cccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 ZINC000013121797 562961406 /nfs/dbraw/zinc/96/14/06/562961406.db2.gz SRTJQLWZRSEJBL-DEOSSOPVSA-N 0 0 490.566 5.320 3 0 JKAFRN Cc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000013136785 562961644 /nfs/dbraw/zinc/96/16/44/562961644.db2.gz LJCVKUHWTJJGOK-OAQYLSRUSA-N 0 0 454.574 5.400 3 0 JKAFRN Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013285329 562961983 /nfs/dbraw/zinc/96/19/83/562961983.db2.gz DNTJWOCEIHPWHC-UHFFFAOYSA-N 0 0 463.796 5.845 1 0 JKAFRN Cn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1Cl ZINC000013285330 562961984 /nfs/dbraw/zinc/96/19/84/562961984.db2.gz NEBMIUBQXFYAHI-UHFFFAOYSA-N 0 0 497.253 7.430 1 0 JKAFRN O=C1c2cc(O)cc3oc(-c4ccc(O)cc4)c(c32)-c2cc(O)cc(O)c2[C@H]1c1ccc(O)cc1 ZINC000013358368 562962040 /nfs/dbraw/zinc/96/20/40/562962040.db2.gz HMIFNEKPRFKIQX-HSZRJFAPSA-N 0 0 466.445 5.623 1 0 biogenic,in-vitro JKAFRN COc1cc(O)cc(CC(=O)CCC/C=C\CCCCCCCCC(=O)c2cc(O)cc(OC)c2)c1 ZINC000013372442 562962119 /nfs/dbraw/zinc/96/21/19/562962119.db2.gz MECWAKRVICEVGZ-VURMDHGXSA-N 0 0 496.644 6.957 1 0 JKAFRN Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(C)cc3)c1)c1cccc(Cl)c21 ZINC000013439783 562962853 /nfs/dbraw/zinc/96/28/53/562962853.db2.gz DTTBWUSVRGKJHN-UHFFFAOYSA-N 0 0 457.917 5.583 1 0 JKAFRN COc1ccc([C@H](Cc2ccncc2)c2cccc(NC(=O)N3CCCC3)c2)cc1OC1CCCC1 ZINC000013442045 562963537 /nfs/dbraw/zinc/96/35/37/562963537.db2.gz KVSBPECCFGICQO-HHHXNRCGSA-N 0 0 485.628 6.414 1 0 JKAFRN CCN(CC)C(=O)Nc1cccc([C@@H](Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000013442043 562963555 /nfs/dbraw/zinc/96/35/55/562963555.db2.gz AJXLVNAAWRDLJV-HHHXNRCGSA-N 0 0 487.644 6.660 1 0 JKAFRN CC(C)CC(=O)Nc1ccc(Cc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442534 562963694 /nfs/dbraw/zinc/96/36/94/562963694.db2.gz TYSUFYYKOVNSFT-UHFFFAOYSA-N 0 0 461.610 5.937 1 0 JKAFRN CC(=O)N1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442706 562963732 /nfs/dbraw/zinc/96/37/32/562963732.db2.gz KBEUXKZHBJMIQM-UHFFFAOYSA-N 0 0 466.990 5.108 1 0 JKAFRN O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000013443360 562963856 /nfs/dbraw/zinc/96/38/56/562963856.db2.gz RPUOBFRKZAACLW-UHFFFAOYSA-N 0 0 475.614 5.653 1 0 JKAFRN COc1cc(Nc2nc(NCc3ccccc3)nc(-c3ccccc3)n2)ccc1-c1cnco1 ZINC000013445155 562964029 /nfs/dbraw/zinc/96/40/29/562964029.db2.gz BVMOOUJJTBFUBH-UHFFFAOYSA-N 0 0 450.502 5.558 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 ZINC000013446995 562964309 /nfs/dbraw/zinc/96/43/09/562964309.db2.gz DVRATNSLOSMOJB-AREMUKBSSA-N 0 0 482.068 6.371 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1nccc2ccccc21 ZINC000013447033 562964362 /nfs/dbraw/zinc/96/43/62/562964362.db2.gz SITDLNGSIWBQBF-MUUNZHRXSA-N 0 0 498.671 6.266 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2cn1 ZINC000013447037 562964398 /nfs/dbraw/zinc/96/43/98/562964398.db2.gz SZMCKSZRKMVYSQ-GDLZYMKVSA-N 0 0 498.671 6.266 1 0 JKAFRN NC(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448490 562964434 /nfs/dbraw/zinc/96/44/34/562964434.db2.gz LTDAYSTZHPPORO-UHFFFAOYSA-N 0 0 451.614 7.100 1 0 JKAFRN CNC(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448493 562964461 /nfs/dbraw/zinc/96/44/61/562964461.db2.gz FUNXUUXBFNYTAL-UHFFFAOYSA-N 0 0 465.641 7.361 1 0 JKAFRN COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c53)C(=O)N4)cc2)cc1 ZINC000013450194 562964672 /nfs/dbraw/zinc/96/46/72/562964672.db2.gz AABJCGCAHOCIAJ-UHFFFAOYSA-N 0 0 472.566 5.192 1 0 JKAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[N@H+](CCCC(=O)[O-])CC1 ZINC000013455625 562965057 /nfs/dbraw/zinc/96/50/57/562965057.db2.gz VZFDOUOHIPJPMT-IBGZPJMESA-N 0 0 481.608 6.153 1 0 JKAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 ZINC000013455619 562965096 /nfs/dbraw/zinc/96/50/96/562965096.db2.gz RCWCXJOHIDVJFW-IBGZPJMESA-N 0 0 480.624 5.376 1 0 JKAFRN C[C@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)OC(C)(C)C)CC1 ZINC000013455603 562965139 /nfs/dbraw/zinc/96/51/39/562965139.db2.gz MIQIHSXORHGEFV-LJQANCHMSA-N 0 0 495.635 7.223 1 0 JKAFRN CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1cc3c(c(O)c1CC=C(C)C)OC(C)(C)C=C3)CC2=O ZINC000013459542 562965211 /nfs/dbraw/zinc/96/52/11/562965211.db2.gz WHMJSNMIIPVCHC-VWLOTQADSA-N 0 0 490.596 6.712 1 0 in-vitro JKAFRN COC(=O)N[C@@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471193 562965545 /nfs/dbraw/zinc/96/55/45/562965545.db2.gz JXAAATVXBZVTFP-JOCHJYFZSA-N 0 0 482.502 6.065 1 0 JKAFRN COC(=O)NC[C@@H]1Cc2ccc(NC(=O)c3cc(C)cc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471275 562965555 /nfs/dbraw/zinc/96/55/55/562965555.db2.gz QWPNUQHQVLSBQS-GOSISDBHSA-N 0 0 496.529 6.312 1 0 JKAFRN COC(=O)NC[C@@H]1Cc2ccc(NC(=O)c3cccc(C)c3-c3ccc(C(F)(F)F)cc3)cc2C1 ZINC000013471270 562965578 /nfs/dbraw/zinc/96/55/78/562965578.db2.gz QZFUHCFFTCONDW-QGZVFWFLSA-N 0 0 482.502 6.004 1 0 JKAFRN Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H](NS(C)(=O)=O)CC3)c1-c1ccc(Cl)cc1 ZINC000013471313 562965600 /nfs/dbraw/zinc/96/56/00/562965600.db2.gz CHLMMQSHPOCAPQ-JOCHJYFZSA-N 0 0 483.033 5.364 1 0 JKAFRN Cc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 ZINC000013472874 562966083 /nfs/dbraw/zinc/96/60/83/562966083.db2.gz QZCADPQFYBBEKX-UHFFFAOYSA-N 0 0 494.220 5.658 1 0 JKAFRN CCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O ZINC000013473148 562966183 /nfs/dbraw/zinc/96/61/83/562966183.db2.gz WNTQSHUJNJVHSS-UHFFFAOYSA-N 0 0 494.227 5.587 1 0 JKAFRN Cc1ccc(/C=C/C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000013473038 562966115 /nfs/dbraw/zinc/96/61/15/562966115.db2.gz GHFKTNDRKOPJLR-GIDUJCDVSA-N 0 0 476.567 5.237 1 0 JKAFRN Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013474258 562966665 /nfs/dbraw/zinc/96/66/65/562966665.db2.gz QGXADYZSETUYHM-UHFFFAOYSA-N 0 0 462.808 6.870 1 0 JKAFRN COc1ccc(-c2oc3cc(OC)ccc3c2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013474199 562966699 /nfs/dbraw/zinc/96/66/99/562966699.db2.gz VHNSGYDXASYUOL-XMMPIXPASA-N 0 0 450.487 5.225 1 0 JKAFRN COc1ccc2c(c1)oc(-c1ccc(OC)c(O)c1)c2C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013474195 562966704 /nfs/dbraw/zinc/96/67/04/562966704.db2.gz DQUBHUDLUYTBJM-UHFFFAOYSA-N 0 0 464.470 5.079 1 0 JKAFRN C[S@](=O)c1ccc(CSc2nc(-c3ccncc3)c(-c3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000013474287 562966706 /nfs/dbraw/zinc/96/67/06/562966706.db2.gz AJNRSMOOOOIKIW-WJOKGBTCSA-N 0 0 451.548 5.080 1 0 JKAFRN CCCc1c(C(=O)OCC)c2c(ccc3c2CN2CCc4cc(SC)ccc4[C@@H]2O3)n1C ZINC000013474845 562966885 /nfs/dbraw/zinc/96/68/85/562966885.db2.gz GCLKZSBEVYSDDQ-VWLOTQADSA-N 0 0 450.604 5.479 1 0 JKAFRN CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2[C@@H]1O3 ZINC000013474851 562966898 /nfs/dbraw/zinc/96/68/98/562966898.db2.gz ZYBBUFPKZJQNLL-VWLOTQADSA-N 0 0 450.604 5.858 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013475365 562966955 /nfs/dbraw/zinc/96/69/55/562966955.db2.gz AIVSIPTYNHWBTO-DEOSSOPVSA-N 0 0 469.572 5.832 1 0 JKAFRN O=C(CN1CCC(Cc2ccccc2)CC1)c1ccccc1NC(=O)Nc1ccc(F)cc1F ZINC000013475880 562967119 /nfs/dbraw/zinc/96/71/19/562967119.db2.gz ULURDEMSGHYHAW-UHFFFAOYSA-N 0 0 463.528 5.746 1 0 JKAFRN COC(=O)c1cc(-c2ccccc2C(F)(F)F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487102 562967612 /nfs/dbraw/zinc/96/76/12/562967612.db2.gz DOCHAIDSUJUEKB-UHFFFAOYSA-N 0 0 495.284 6.827 1 0 JKAFRN C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O ZINC000013487033 562967620 /nfs/dbraw/zinc/96/76/20/562967620.db2.gz WLQAHPDSGAXOGU-UPCLLVRISA-N 0 0 480.395 5.128 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2oc3ccccc3c(=S)c2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000013487287 562967710 /nfs/dbraw/zinc/96/77/10/562967710.db2.gz UVXHSNLAXAPJPN-UHFFFAOYSA-N 0 0 461.391 7.207 1 0 JKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccccc2Cl)c1 ZINC000013487467 562967742 /nfs/dbraw/zinc/96/77/42/562967742.db2.gz OXPRZPUBZAFTGS-UHFFFAOYSA-N 0 0 455.366 7.021 1 0 JKAFRN Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000013487479 562967772 /nfs/dbraw/zinc/96/77/72/562967772.db2.gz WQKMHPRAHCQDBZ-UHFFFAOYSA-N 0 0 456.354 6.416 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487481 562967798 /nfs/dbraw/zinc/96/77/98/562967798.db2.gz BPVWZPRUIFGZGN-UHFFFAOYSA-N 0 0 475.784 7.366 1 0 JKAFRN Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000013487503 562967856 /nfs/dbraw/zinc/96/78/56/562967856.db2.gz YHZVBOFYHUAIBQ-UHFFFAOYSA-N 0 0 489.811 7.675 1 0 JKAFRN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000013487965 562967975 /nfs/dbraw/zinc/96/79/75/562967975.db2.gz LNTRGWFSWXCQTR-MUUNZHRXSA-N 0 0 496.950 6.598 1 0 JKAFRN Nc1cccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)o2)c1 ZINC000013487961 562967985 /nfs/dbraw/zinc/96/79/85/562967985.db2.gz DLMMAXIRKZBLPE-MUUNZHRXSA-N 0 0 477.520 5.527 1 0 JKAFRN COc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc(OC)c(OC)c3)nc2)cc1 ZINC000013487991 562968130 /nfs/dbraw/zinc/96/81/30/562968130.db2.gz BELMOGNPFBFMDN-GDLZYMKVSA-N 0 0 492.579 5.803 1 0 JKAFRN O=C(c1ccc(-c2ccccn2)o1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)CCO2 ZINC000013487982 562968140 /nfs/dbraw/zinc/96/81/40/562968140.db2.gz WOHTVFKCMZMJPD-NDEPHWFRSA-N 0 0 461.521 5.546 1 0 JKAFRN Clc1ccc(-c2cnc(N3CCc4c5ccccc5[nH]c4[C@H]3c3ccc4c(c3)OCO4)nc2)cc1 ZINC000013487977 562968142 /nfs/dbraw/zinc/96/81/42/562968142.db2.gz VPCHRIWMGQQHKZ-HHHXNRCGSA-N 0 0 480.955 6.159 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]1C(=O)N(Cc2ccccc2)C(=O)N1Cc1cncn1C ZINC000013489400 562968673 /nfs/dbraw/zinc/96/86/73/562968673.db2.gz DAJAUHDJUTUWBT-JOFJZCFSSA-N 0 0 488.676 6.562 1 0 JKAFRN [O-][n+]1ccc(C[C@@H](c2ccc(Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013490136 562969155 /nfs/dbraw/zinc/96/91/55/562969155.db2.gz SJFWUGBXHICVEV-HSZRJFAPSA-N 0 0 498.476 5.883 1 0 JKAFRN O[C@@H](CN(Cc1cccc(OCC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490902 562969402 /nfs/dbraw/zinc/96/94/02/562969402.db2.gz FVBBAHNTBILOOJ-QFIPXVFZSA-N 0 0 485.424 6.350 1 0 JKAFRN O[C@@H](CN(Cc1cccc(Oc2ccccc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000013490904 562969417 /nfs/dbraw/zinc/96/94/17/562969417.db2.gz ZYFMOCYZDRPVGO-MHZLTWQESA-N 0 0 479.498 7.201 1 0 JKAFRN C[S@@](=O)c1ccc(CCCSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491678 562969557 /nfs/dbraw/zinc/96/95/57/562969557.db2.gz NYZUGZXTJSSTMK-HKBQPEDESA-N 0 0 451.592 5.740 1 0 JKAFRN COc1cc2ncnc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)[C@H](C)C3)c2cc1OC ZINC000013491553 562969576 /nfs/dbraw/zinc/96/95/76/562969576.db2.gz OSYWVHQKLCIONH-LJQANCHMSA-N 0 0 499.571 5.182 1 0 JKAFRN C[S@](=O)c1ccc(CSc2nc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 ZINC000013491674 562969593 /nfs/dbraw/zinc/96/95/93/562969593.db2.gz PWLDFXNLVRLEKP-GDLZYMKVSA-N 0 0 484.444 5.931 1 0 JKAFRN COc1cc(/C=C/c2cc3c(cc2O)CC[C@H]2[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)cc(OC)c1OC ZINC000013491708 562969597 /nfs/dbraw/zinc/96/95/97/562969597.db2.gz JLFWRIKHNMVPBN-AMNRLLJZSA-N 0 0 464.602 5.805 1 0 JKAFRN Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2C[N@@H+](C)CC(C)C)c1C ZINC000013492874 562970037 /nfs/dbraw/zinc/97/00/37/562970037.db2.gz KFYGWINTMGEMTO-UHFFFAOYSA-N 0 0 494.617 5.502 1 0 JKAFRN O=C(c1ccc(-c2ccsc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493114 562970145 /nfs/dbraw/zinc/97/01/45/562970145.db2.gz NSXNARTXJGLHDE-VWLOTQADSA-N 0 0 482.517 5.324 1 0 JKAFRN CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2NC(=O)C(F)(F)F)cc1 ZINC000013493354 562970340 /nfs/dbraw/zinc/97/03/40/562970340.db2.gz AAYWQUFITSQGLP-UHFFFAOYSA-N 0 0 465.903 5.588 1 0 JKAFRN O=C(Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1)c1cc(Cl)cc(Cl)c1 ZINC000013493818 562970349 /nfs/dbraw/zinc/97/03/49/562970349.db2.gz SRKAPXPVWTYOAW-UHFFFAOYSA-N 0 0 454.140 6.805 1 0 JKAFRN Nc1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)OCc1cccc(C(F)(F)F)c1 ZINC000013518303 562970608 /nfs/dbraw/zinc/97/06/08/562970608.db2.gz RYJVZSAPETYBPP-UHFFFAOYSA-N 0 0 453.485 7.040 1 0 JKAFRN CC(C)(O)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cc1 ZINC000013521171 562970888 /nfs/dbraw/zinc/97/08/88/562970888.db2.gz AVXCMHNTBOYIOT-HSZRJFAPSA-N 0 0 469.528 5.455 1 0 JKAFRN CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)S[C@@H](C)[C@H](C)S1 ZINC000013524411 562971308 /nfs/dbraw/zinc/97/13/08/562971308.db2.gz DJOOJRWGFDDSJS-SEIRJHJZSA-N 0 0 460.749 8.383 1 0 JKAFRN Fc1ccc(-c2[nH]c(SCc3ccccc3)nc2-c2ccnc(NCc3ccccc3)c2)cc1 ZINC000013524479 562971336 /nfs/dbraw/zinc/97/13/36/562971336.db2.gz PIVXVZXCGYSMHO-UHFFFAOYSA-N 0 0 466.585 7.182 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3ccc(Cl)cc32)CC1 ZINC000013528833 562971945 /nfs/dbraw/zinc/97/19/45/562971945.db2.gz MASAQKHIEJFYPD-UHFFFAOYSA-N 0 0 458.949 6.035 1 0 JKAFRN COc1cc2nc(C)nc(N3CCN(C(=O)Nc4ccc(Oc5ccccc5)cc4)CC3)c2cc1OC ZINC000013528769 562971966 /nfs/dbraw/zinc/97/19/66/562971966.db2.gz YXGHGECPQJUHKM-UHFFFAOYSA-N 0 0 499.571 5.102 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3c(Cl)cccc23)CC1 ZINC000013528845 562972002 /nfs/dbraw/zinc/97/20/02/562972002.db2.gz FLRNBHDOJNGVPK-UHFFFAOYSA-N 0 0 458.949 6.035 1 0 JKAFRN O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 ZINC000013532157 562972350 /nfs/dbraw/zinc/97/23/50/562972350.db2.gz FCTSOYFQOMNNFT-UHFFFAOYSA-N 0 0 452.579 6.651 1 0 JKAFRN COc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 ZINC000013532191 562972363 /nfs/dbraw/zinc/97/23/63/562972363.db2.gz LTZZPEJJGSQGSD-UHFFFAOYSA-N 0 0 482.605 6.659 1 0 JKAFRN Cc1cc(-c2ccccc2)cc(C)c1NC(=O)c1ccc2[nH]c(=NC(=O)OC(C)(C)C)sc2c1 ZINC000013533886 562972389 /nfs/dbraw/zinc/97/23/89/562972389.db2.gz BZSZGWMXNUZTGF-UHFFFAOYSA-N 0 0 473.598 7.179 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(CN4CCOCC4)ccn3)sc2c1 ZINC000013536587 562972759 /nfs/dbraw/zinc/97/27/59/562972759.db2.gz DRFVSDPRAAXLDK-UHFFFAOYSA-N 0 0 494.020 5.481 1 0 JKAFRN Cc1cc(Nc2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(NCC(C)(C)O)n1 ZINC000013536668 562972790 /nfs/dbraw/zinc/97/27/90/562972790.db2.gz QXCJTHGNYGKRDA-UHFFFAOYSA-N 0 0 497.024 5.535 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc(Oc3ccc(Cc4ccccc4)cc3)cc2)cc1OC ZINC000013551601 562973202 /nfs/dbraw/zinc/97/32/02/562973202.db2.gz QTHRCTRITMFYJN-UHFFFAOYSA-N 0 0 453.538 6.017 1 0 JKAFRN O=C(NOCc1c(F)c(F)c(F)c(F)c1F)Nc1csc(Cc2c(Cl)cccc2Cl)n1 ZINC000013553625 562973426 /nfs/dbraw/zinc/97/34/26/562973426.db2.gz CNKYHAMNZRHLPO-UHFFFAOYSA-N 0 0 498.260 5.990 1 0 JKAFRN COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)OCCc1ccccc1)=C2 ZINC000013553844 562973492 /nfs/dbraw/zinc/97/34/92/562973492.db2.gz WKMREFASOUTEJR-AREMUKBSSA-N 0 0 476.525 5.024 1 0 JKAFRN COP(=O)(Cc1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OC ZINC000013556756 562973769 /nfs/dbraw/zinc/97/37/69/562973769.db2.gz AWYXUJDDVDQOSO-DEOSSOPVSA-N 0 0 487.558 6.330 1 0 JKAFRN CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)CS2)cc1)OCC ZINC000013556785 562973783 /nfs/dbraw/zinc/97/37/83/562973783.db2.gz PNPAMRQLCXJAOD-JOCHJYFZSA-N 0 0 461.520 5.240 1 0 JKAFRN CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000013557956 562974182 /nfs/dbraw/zinc/97/41/82/562974182.db2.gz IDQGXJRSCRRYBK-UHFFFAOYSA-N 0 0 456.464 6.387 1 0 JKAFRN CC1(C)CC[C@]2(CO)CC[C@]3(C)[C@H]([C@@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000013558215 562974222 /nfs/dbraw/zinc/97/42/22/562974222.db2.gz DJPXQGGSIIDFGE-HLZZUJKJSA-N 0 0 460.743 6.192 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000013560053 562975156 /nfs/dbraw/zinc/97/51/56/562975156.db2.gz IYLUJXJVFRCGSA-UHFFFAOYSA-N 0 0 450.598 7.146 1 0 JKAFRN CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc32)cc1 ZINC000013560846 562975383 /nfs/dbraw/zinc/97/53/83/562975383.db2.gz PAHUVVNSHGPBOR-UHFFFAOYSA-N 0 0 460.545 5.054 1 0 JKAFRN CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 ZINC000013581318 562975797 /nfs/dbraw/zinc/97/57/97/562975797.db2.gz DCYGPUNFYABRST-UHFFFAOYSA-N 0 0 466.555 5.905 1 0 JKAFRN CCOc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)c(=O)o2)cc1 ZINC000013581295 562975834 /nfs/dbraw/zinc/97/58/34/562975834.db2.gz ILQQWUVXIGNZFG-UHFFFAOYSA-N 0 0 464.514 5.582 1 0 JKAFRN O=c1c2ccc(OCc3ccccc3)cc2oc(SCc2ccncc2)c1-c1ccccc1 ZINC000013581380 562975841 /nfs/dbraw/zinc/97/58/41/562975841.db2.gz LETKTNKPQWCFSX-UHFFFAOYSA-N 0 0 451.547 6.726 1 0 JKAFRN CCc1nc2c(n1Cc1cccc3ccccc31)C(=O)N(C)CN2c1ccc(Cl)cc1Cl ZINC000013582829 562975852 /nfs/dbraw/zinc/97/58/52/562975852.db2.gz OORMZCKBQVVPQD-UHFFFAOYSA-N 0 0 465.384 6.135 1 0 JKAFRN FC(F)(F)c1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1 ZINC000013582700 562975874 /nfs/dbraw/zinc/97/58/74/562975874.db2.gz MQWZYEDJGHLFFI-UHFFFAOYSA-N 0 0 490.445 5.387 1 0 JKAFRN Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000013582678 562975891 /nfs/dbraw/zinc/97/58/91/562975891.db2.gz OFLZPIHQIBEOQU-UHFFFAOYSA-N 0 0 484.844 6.408 1 0 JKAFRN FC(F)(F)c1cc(Nc2nccc(-c3c4cccnn4nc3-c3ccccc3)n2)ccc1Cl ZINC000013582665 562975893 /nfs/dbraw/zinc/97/58/93/562975893.db2.gz QDHSRCVLCZGGEA-UHFFFAOYSA-N 0 0 466.854 6.269 1 0 JKAFRN CCCN(Cc1cccc(OC)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583182 562976060 /nfs/dbraw/zinc/97/60/60/562976060.db2.gz IIQOPKAHPHUWDS-UHFFFAOYSA-N 0 0 458.610 5.208 1 0 JKAFRN CCCN(Cc1ccc2ccccc2c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583179 562976084 /nfs/dbraw/zinc/97/60/84/562976084.db2.gz KMEIEVDXLDQYLD-UHFFFAOYSA-N 0 0 478.644 6.352 1 0 JKAFRN CC[C@@H](C)COc1nc2c(nc(OC[C@@H](C)CC)nc2N2CCCCC2)c(N2CCCCC2)n1 ZINC000013583347 562976151 /nfs/dbraw/zinc/97/61/51/562976151.db2.gz RPAAKJWIOZOYHT-BGYRXZFFSA-N 0 0 470.662 5.250 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(C)c3)[nH]c(=O)c12 ZINC000013585195 562976291 /nfs/dbraw/zinc/97/62/91/562976291.db2.gz NHCOZCJPPTVVOW-UHFFFAOYSA-N 0 0 477.779 5.539 1 0 JKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(Cc3cccs3)c3ccccc23)CC1 ZINC000013586265 562976540 /nfs/dbraw/zinc/97/65/40/562976540.db2.gz UGWNGSCESDXINL-UHFFFAOYSA-N 0 0 460.599 5.708 1 0 JKAFRN O=C(Cc1ccc(Oc2ccccc2)cc1)N[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013586755 562976777 /nfs/dbraw/zinc/97/67/77/562976777.db2.gz NWNGSBUSKJXPGS-HXUWFJFHSA-N 0 0 455.385 5.719 1 0 JKAFRN CC(C)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586775 562976783 /nfs/dbraw/zinc/97/67/83/562976783.db2.gz NXHQHERDDCEFLO-VWLOTQADSA-N 0 0 471.601 6.504 1 0 JKAFRN COc1ccc(CCNC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1OC ZINC000013586780 562976809 /nfs/dbraw/zinc/97/68/09/562976809.db2.gz CLLIKRHLEHADNX-UHFFFAOYSA-N 0 0 484.600 5.593 1 0 JKAFRN Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587812 562977312 /nfs/dbraw/zinc/97/73/12/562977312.db2.gz WOYOASASOHZEDR-MHZLTWQESA-N 0 0 490.390 5.530 1 0 JKAFRN Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587811 562977360 /nfs/dbraw/zinc/97/73/60/562977360.db2.gz WOYOASASOHZEDR-HHHXNRCGSA-N 0 0 490.390 5.530 1 0 JKAFRN Cc1cc2cc(Nc3ccnc4cc(-c5ccc(CN6CCOCC6)cc5)sc43)ccc2[nH]1 ZINC000013588198 562977480 /nfs/dbraw/zinc/97/74/80/562977480.db2.gz NWVUSUJOHOVKNG-UHFFFAOYSA-N 0 0 454.599 6.329 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1OC ZINC000013588404 562977609 /nfs/dbraw/zinc/97/76/09/562977609.db2.gz BHTRHXPOZQPPSK-UHFFFAOYSA-N 0 0 470.573 5.551 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2)no1 ZINC000013589524 562978039 /nfs/dbraw/zinc/97/80/39/562978039.db2.gz UKHZGCUZFKCJMD-UHFFFAOYSA-N 0 0 470.529 6.661 1 0 JKAFRN Cc1cn(Cc2ccc3ccccc3c2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12 ZINC000013589704 562978126 /nfs/dbraw/zinc/97/81/26/562978126.db2.gz GWKPSIAHYYAQIR-UHFFFAOYSA-N 0 0 460.364 7.105 1 0 JKAFRN CN(C)C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 ZINC000013589529 562978136 /nfs/dbraw/zinc/97/81/36/562978136.db2.gz DZZIQQYIDWNWDQ-UHFFFAOYSA-N 0 0 478.858 5.892 1 0 JKAFRN CC(=O)[C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H]1C2=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000013589960 562978178 /nfs/dbraw/zinc/97/81/78/562978178.db2.gz DZMAIPFWPZZKSY-ITUBTRRGSA-N 0 0 456.755 7.984 1 0 in-vitro JKAFRN Cc1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589723 562978187 /nfs/dbraw/zinc/97/81/87/562978187.db2.gz LBNIQKADHDXTKV-UHFFFAOYSA-N 0 0 494.300 6.209 1 0 JKAFRN Cc1ccc(NC(=O)Nc2nc3nn(CC4CCCCC4)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000013607059 562978834 /nfs/dbraw/zinc/97/88/34/562978834.db2.gz HNFPVKCTIYNRPS-UHFFFAOYSA-N 0 0 470.537 5.267 1 0 JKAFRN C[C@H](C(=O)N(C)C1CCCCC1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607418 562978939 /nfs/dbraw/zinc/97/89/39/562978939.db2.gz IBUHYYTYSFPSRA-AWEZNQCLSA-N 0 0 464.824 6.856 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1 ZINC000013608855 562979173 /nfs/dbraw/zinc/97/91/73/562979173.db2.gz SRHQZJRKCSXSCP-UHFFFAOYSA-N 0 0 483.443 5.388 1 0 JKAFRN c1cn(Cc2ccccc2)c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 ZINC000013610426 562979336 /nfs/dbraw/zinc/97/93/36/562979336.db2.gz FTBGMXWQYKNAKT-UHFFFAOYSA-N 0 0 462.557 5.370 1 0 JKAFRN CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611369 562979351 /nfs/dbraw/zinc/97/93/51/562979351.db2.gz AUNHRXZPYDMERZ-MGBGTMOVSA-N 0 0 488.631 7.447 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2ccn(CC[NH+]3CCCC3)c2c1 ZINC000013611705 562979463 /nfs/dbraw/zinc/97/94/63/562979463.db2.gz HAVQSNFOQUEEEC-UHFFFAOYSA-N 0 0 474.051 5.714 1 0 JKAFRN Cc1c(C(=O)NN2C[C@@H]3CCC[C@@H]3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611881 562979481 /nfs/dbraw/zinc/97/94/81/562979481.db2.gz SVSQPQKRRBNFOC-IYBDPMFKSA-N 0 0 489.834 6.185 1 0 JKAFRN Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611885 562979486 /nfs/dbraw/zinc/97/94/86/562979486.db2.gz WNXQBBUGKOCHSZ-UHFFFAOYSA-N 0 0 462.808 6.870 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1 ZINC000013611863 562979499 /nfs/dbraw/zinc/97/94/99/562979499.db2.gz LXHJQKRDYPVDAL-UHFFFAOYSA-N 0 0 497.348 6.304 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611853 562979523 /nfs/dbraw/zinc/97/95/23/562979523.db2.gz KKEBVIMUGTZZBL-UHFFFAOYSA-N 0 0 463.796 5.939 1 0 JKAFRN CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 ZINC000013612730 562979599 /nfs/dbraw/zinc/97/95/99/562979599.db2.gz XLPXBSOPPHZHDY-UHFFFAOYSA-N 0 0 496.611 5.683 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)nc1)C2 ZINC000013613016 562979734 /nfs/dbraw/zinc/97/97/34/562979734.db2.gz PQOYPPUGRGEVJD-MUUNZHRXSA-N 0 0 458.521 5.030 1 0 JKAFRN O=c1c2c([nH]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3ccccn3)cn1)C2 ZINC000013612975 562979744 /nfs/dbraw/zinc/97/97/44/562979744.db2.gz IYZTVUCAOUBGHK-NDEPHWFRSA-N 0 0 458.521 5.030 1 0 JKAFRN O=C(NCc1ccccc1)C1=C[C@H](c2csc3ccccc32)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013634797 562979929 /nfs/dbraw/zinc/97/99/29/562979929.db2.gz HCHDWAVTMDCPLB-NEKDWFFYSA-N 0 0 485.605 5.641 3 0 JKAFRN CCc1[nH]c2cc(=O)ccc-2c(Oc2ccc(C=CC(=O)N3CCCCC3)cc2)c1-c1ccccc1 ZINC000013641235 562980084 /nfs/dbraw/zinc/98/00/84/562980084.db2.gz KAKPYLZIGBNZKF-QGOAFFKASA-N 0 0 478.592 6.988 1 0 JKAFRN CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C(\Cl)I)[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013651787 562981747 /nfs/dbraw/zinc/98/17/47/562981747.db2.gz DSILHNAPRRFBOR-NPTAJRIFSA-N 0 0 488.793 5.120 1 0 JKAFRN COc1cc([C@@H]2c3[nH]c4ccccc4c3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)N32)cc(OC)c1O ZINC000013652056 562981819 /nfs/dbraw/zinc/98/18/19/562981819.db2.gz KRGUDELVCQGRQE-HFRGRHLUSA-N 0 0 489.503 5.107 1 0 JKAFRN CN(C[C@@H](CC1CCCCC1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659527 562982008 /nfs/dbraw/zinc/98/20/08/562982008.db2.gz KFKYVLCJUYSHRF-SXOMAYOGSA-N 0 0 494.640 5.759 3 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013661857 562982419 /nfs/dbraw/zinc/98/24/19/562982419.db2.gz FYWMIHJCACAINX-ZITMISKDSA-N 0 0 483.608 6.435 3 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@H](c3ccc(-c4cc5ccccc5s4)cc3F)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000013661930 562982462 /nfs/dbraw/zinc/98/24/62/562982462.db2.gz NHRLRBGLAWZCPR-YLHMUXNLSA-N 0 0 467.609 7.619 3 0 JKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SCC(F)(F)F)c(CC)nc1-c1ccccc1 ZINC000013672383 562982688 /nfs/dbraw/zinc/98/26/88/562982688.db2.gz KCKYGEHGCBXEMD-UHFFFAOYSA-N 0 0 453.526 6.266 1 0 JKAFRN O=C(Nc1nc2ccc(Cl)cc2c2nc(-c3ccc(Br)o3)nn21)c1ccccc1 ZINC000013672414 562982732 /nfs/dbraw/zinc/98/27/32/562982732.db2.gz NKVPLKHIGQJTFT-UHFFFAOYSA-N 0 0 468.698 5.206 1 0 JKAFRN O=C(Nc1ccccc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676238 562983348 /nfs/dbraw/zinc/98/33/48/562983348.db2.gz MNUYZVNTMQHNEW-UHFFFAOYSA-N 0 0 460.169 6.123 1 0 in-vivo JKAFRN O=C(Nc1ccc(CO)cc1)NC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676245 562983356 /nfs/dbraw/zinc/98/33/56/562983356.db2.gz AGQKCJTVQUVRNG-UHFFFAOYSA-N 0 0 490.195 5.615 1 0 JKAFRN COc1cc(NC(=O)c2csc(-c3ccncc3)n2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013682501 562984159 /nfs/dbraw/zinc/98/41/59/562984159.db2.gz GXCXPPQJIBHPGS-UHFFFAOYSA-N 0 0 498.486 5.737 3 0 JKAFRN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1csc(-c2ccncc2)n1 ZINC000013682458 562984167 /nfs/dbraw/zinc/98/41/67/562984167.db2.gz IZLMOKXOUIWIFF-UHFFFAOYSA-N 0 0 482.487 6.037 3 0 JKAFRN O=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)c1cccc(C(F)(F)F)c1 ZINC000013682580 562984252 /nfs/dbraw/zinc/98/42/52/562984252.db2.gz UUHURNAMUZNCIW-UHFFFAOYSA-N 0 0 473.907 7.478 3 0 JKAFRN O=C(CCc1ccc(OCc2ccccc2)cc1)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000013732225 562985300 /nfs/dbraw/zinc/98/53/00/562985300.db2.gz DQYRWCQTZASFMX-UHFFFAOYSA-N 0 0 464.517 5.555 1 0 JKAFRN CCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(ccn2Cc2ccccc2C(=O)OC)c1 ZINC000013732381 562985303 /nfs/dbraw/zinc/98/53/03/562985303.db2.gz OAOQVFREJZTPOH-UHFFFAOYSA-N 0 0 452.558 5.448 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2cc(Br)ccc21 ZINC000013735214 562985744 /nfs/dbraw/zinc/98/57/44/562985744.db2.gz JGFLVVVWEDZDHX-RUZDIDTESA-N 0 0 478.430 7.359 1 0 JKAFRN COC1(c2cccc(OCc3ccc4c(cc5c(c4-c4ccccc4)COC5=O)c3)c2)CCOCC1 ZINC000013734574 562985786 /nfs/dbraw/zinc/98/57/86/562985786.db2.gz ISLKUKGGPNPNKA-UHFFFAOYSA-N 0 0 480.560 6.408 1 0 JKAFRN CCc1cccc(CC)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(Br)cc21 ZINC000013735164 562985799 /nfs/dbraw/zinc/98/57/99/562985799.db2.gz VXSXFLVYOPASDD-HSZRJFAPSA-N 0 0 450.376 6.237 1 0 JKAFRN COC(=O)c1cc(C)cc2c1OCc1ccccc1[C@H]2C(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000013735281 562985857 /nfs/dbraw/zinc/98/58/57/562985857.db2.gz LRCLMLRBNOVJSD-AREMUKBSSA-N 0 0 471.597 6.691 1 0 JKAFRN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1C(F)(F)F)c1ccccc1 ZINC000013736226 562985912 /nfs/dbraw/zinc/98/59/12/562985912.db2.gz GOQORMIBYOZRHK-QHCPKHFHSA-N 0 0 466.459 5.271 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2cccc(OCc3ccccc3)c2)CCCC1 ZINC000013736819 562985935 /nfs/dbraw/zinc/98/59/35/562985935.db2.gz KETRASYQQVHMLH-UHFFFAOYSA-N 0 0 484.684 8.146 1 0 JKAFRN CCCCCCC(=O)NC[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737143 562986018 /nfs/dbraw/zinc/98/60/18/562986018.db2.gz FNJBUUXUERIHMQ-DEOSSOPVSA-N 0 0 465.682 6.925 1 0 JKAFRN Cc1ccc(C(=O)N[C@@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737180 562986024 /nfs/dbraw/zinc/98/60/24/562986024.db2.gz IXYZVIMNGQLBLC-SANMLTNESA-N 0 0 457.618 6.535 1 0 JKAFRN CCCCCCC(=O)NC[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737145 562986045 /nfs/dbraw/zinc/98/60/45/562986045.db2.gz FNJBUUXUERIHMQ-XMMPIXPASA-N 0 0 465.682 6.925 1 0 JKAFRN CC(C)=CCC[C@H](C)CC(=O)N[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737150 562986053 /nfs/dbraw/zinc/98/60/53/562986053.db2.gz UDKPHCIJEBYGKN-CUBQBAPOSA-N 0 0 491.720 7.685 1 0 JKAFRN COCCCCCC(=O)N[C@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737164 562986055 /nfs/dbraw/zinc/98/60/55/562986055.db2.gz KIZJLFWKLLFMHC-RUZDIDTESA-N 0 0 467.654 6.119 1 0 JKAFRN COc1ccccc1CN[C@@H](CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013737275 562986100 /nfs/dbraw/zinc/98/61/00/562986100.db2.gz SCOYAVKKOHTDNJ-SANMLTNESA-N 0 0 459.634 6.595 1 0 JKAFRN COc1ccc(C(=O)Nc2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1 ZINC000013737811 562986277 /nfs/dbraw/zinc/98/62/77/562986277.db2.gz BRWASLBCBODGKZ-UHFFFAOYSA-N 0 0 497.599 5.033 1 0 JKAFRN COc1ccc([C@@](OCC[N@@H+]2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(F)c2)cc1F ZINC000013737903 562986353 /nfs/dbraw/zinc/98/63/53/562986353.db2.gz QPLCEYNIPVOVMI-PIIWDFAUSA-N 0 0 481.539 5.079 1 0 JKAFRN CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@H]1Cc1c[nH]c2ccccc12 ZINC000013740641 562986897 /nfs/dbraw/zinc/98/68/97/562986897.db2.gz ICBSQYXTXCHQCY-GOSISDBHSA-N 0 0 469.385 5.211 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(Cl)c(Cl)c2)C(Cc2ccccc2)=C1c1ccc2c(c1)OCO2 ZINC000013740952 562986983 /nfs/dbraw/zinc/98/69/83/562986983.db2.gz GTADCEYWHLRYOB-DEOSSOPVSA-N 0 0 455.293 5.121 1 0 JKAFRN CCCC(=O)c1cnc2c(OCCCC(=O)Nc3ccncc3)cccc2c1Nc1ccccc1C ZINC000013742242 562987276 /nfs/dbraw/zinc/98/72/76/562987276.db2.gz VHJUXDQVLJTEFR-UHFFFAOYSA-N 0 0 482.584 6.462 1 0 JKAFRN CCCc1nc2c(nc(C)cc2C)n1Cc1ccc2c(c1)Oc1ccccc1C=C2c1nn[nH]n1 ZINC000013742176 562987285 /nfs/dbraw/zinc/98/72/85/562987285.db2.gz XDUBODQCSFQUQE-UHFFFAOYSA-N 0 0 463.545 5.257 1 0 JKAFRN CCCC(=O)c1cnc2c(OCCCC(=O)NC(C)(C)CO)cccc2c1Nc1c(C)cccc1C ZINC000013742253 562987307 /nfs/dbraw/zinc/98/73/07/562987307.db2.gz YWEGRJNIBKELHR-UHFFFAOYSA-N 0 0 491.632 5.624 1 0 JKAFRN CCCC(=O)c1cnc2c(OCCCc3nc4ccccc4[nH]3)cccc2c1Nc1c(C)cccc1C ZINC000013742249 562987355 /nfs/dbraw/zinc/98/73/55/562987355.db2.gz XNAJWHFFZSVULS-UHFFFAOYSA-N 0 0 492.623 7.466 1 0 JKAFRN O=C(c1cn(CCN2CCOCC2)c2ccccc12)c1ccc(Br)c2ccccc12 ZINC000013742587 562987412 /nfs/dbraw/zinc/98/74/12/562987412.db2.gz GUERXBLRCMLEOP-UHFFFAOYSA-N 0 0 463.375 5.120 1 0 JKAFRN CCCCc1nc(-c2nc(C)ccc2OC)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013742399 562987483 /nfs/dbraw/zinc/98/74/83/562987483.db2.gz YGDKERTZKXTTHI-UHFFFAOYSA-N 0 0 479.588 5.500 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000013742759 562987575 /nfs/dbraw/zinc/98/75/75/562987575.db2.gz FJMGVKBLNYZNRC-PVIFSWJOSA-N 0 0 468.641 6.206 1 0 JKAFRN Cc1cc(C)c2c(c1NC(=O)C(C)(C)CCCCCOc1ccc(Cl)cc1)OCCC2=O ZINC000013742721 562987577 /nfs/dbraw/zinc/98/75/77/562987577.db2.gz BGEZYYRGWIHCGE-UHFFFAOYSA-N 0 0 457.998 6.526 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1ccccc1-c1ccccc1 ZINC000013742758 562987594 /nfs/dbraw/zinc/98/75/94/562987594.db2.gz OCGUCXJWMSZWDY-LPRSIGQASA-N 0 0 468.641 6.206 1 0 JKAFRN C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1F)c1ccccc1 ZINC000013744140 562987843 /nfs/dbraw/zinc/98/78/43/562987843.db2.gz PGTSDQJJQFGOEU-HMILPKGGSA-N 0 0 473.548 5.412 1 0 JKAFRN c1ccc2c(c1)nccc2SCCCCCCCCCCSc1ccnc2ccccc21 ZINC000013745703 562987994 /nfs/dbraw/zinc/98/79/94/562987994.db2.gz PLDMZRSVGOEYQR-UHFFFAOYSA-N 0 0 460.712 8.788 1 0 JKAFRN CC(C)[C@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)NCCCCCCCCO)c1ccccc1 ZINC000013755612 562988557 /nfs/dbraw/zinc/98/85/57/562988557.db2.gz QNFSXSITVMDGSZ-LITSAYRRSA-N 0 0 482.665 5.560 1 0 JKAFRN CC(C)(C)NC(=O)c1ccccc1SC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756938 562988793 /nfs/dbraw/zinc/98/87/93/562988793.db2.gz DPXOXISAOYTUJS-NRFANRHFSA-N 0 0 492.685 5.592 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1F ZINC000013759196 562989124 /nfs/dbraw/zinc/98/91/24/562989124.db2.gz NFGQJACFQRQGIE-UHFFFAOYSA-N 0 0 484.523 5.893 1 0 JKAFRN CC1(C)COC(c2cc3cc(OCc4cccc(C5(O)CCOCC5)c4)ccc3c(-c3ccoc3)c2)=N1 ZINC000013759174 562989132 /nfs/dbraw/zinc/98/91/32/562989132.db2.gz UWXROLFNDHVLRB-UHFFFAOYSA-N 0 0 497.591 6.232 1 0 JKAFRN OC1(c2cccc(COc3ccc4c(cc(Cc5nccs5)cc4-c4ccoc4)c3)c2)CCOCC1 ZINC000013759181 562989143 /nfs/dbraw/zinc/98/91/43/562989143.db2.gz LTKMJXCOMOKEIR-UHFFFAOYSA-N 0 0 497.616 6.724 1 0 JKAFRN COc1ccc(-c2c3c(cc4cc(OCc5cccc(C6(O)CCOCC6)c5)ccc42)C(=O)OC3)cc1 ZINC000013759195 562989146 /nfs/dbraw/zinc/98/91/46/562989146.db2.gz SNEDIJUSYIMLHJ-UHFFFAOYSA-N 0 0 496.559 5.763 1 0 JKAFRN CO[C@H](C)c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759159 562989157 /nfs/dbraw/zinc/98/91/57/562989157.db2.gz NMYQXWLLBGJJTL-JOCHJYFZSA-N 0 0 468.593 6.791 1 0 JKAFRN CO[C@H]1C[C@](O)(c2cccc(COc3ccc4c(cc5c(c4-c4ccccc4)COC5=O)c3)c2)CCO1 ZINC000013759188 562989164 /nfs/dbraw/zinc/98/91/64/562989164.db2.gz YTDPMILBUZIMNP-MVSFAKPFSA-N 0 0 496.559 5.727 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@@]4(O)C[C@@H]5OC[C@H](C4)O5)c3)ccc1c2-c1ccoc1 ZINC000013759214 562989174 /nfs/dbraw/zinc/98/91/74/562989174.db2.gz DVUDHDNWLWMUAH-FATZWSQISA-N 0 0 484.504 5.072 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@]4(O)CCOC(=O)C4)c3)ccc1c2-c1ccccc1 ZINC000013759140 562989182 /nfs/dbraw/zinc/98/91/82/562989182.db2.gz SVJGFLXBVLYMPZ-PMERELPUSA-N 0 0 480.516 5.281 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1 ZINC000013759899 562989390 /nfs/dbraw/zinc/98/93/90/562989390.db2.gz UEIHDSHLJMYCBQ-DEOSSOPVSA-N 0 0 470.057 6.816 1 0 JKAFRN CC(C)(C)OC(=O)Nc1ccc(Nc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)cc1 ZINC000013766063 562990634 /nfs/dbraw/zinc/99/06/34/562990634.db2.gz UJPPYLLBYAYYPH-UHFFFAOYSA-N 0 0 451.918 5.841 1 0 JKAFRN Clc1ccc(CO[C@@H]2c3c(cc(Cl)cc3Cl)S[C@@H]2Cn2ccnc2)c(Cl)c1 ZINC000013775801 562990745 /nfs/dbraw/zinc/99/07/45/562990745.db2.gz AGWSGJRKEVNFSN-MJGOQNOKSA-N 0 0 460.213 6.929 1 0 JKAFRN Clc1ccc2c(c1)S[C@H](Cn1ccnc1)[C@@H]2OCc1cnc2cc3c(cc2c1Cl)OCO3 ZINC000013775753 562990793 /nfs/dbraw/zinc/99/07/93/562990793.db2.gz INWRHSFSXDNDLS-FYYLOGMGSA-N 0 0 486.380 5.899 1 0 JKAFRN Cc1nc2cnccc2n1Cc1ccc(C(=O)c2c[nH]c3cc(-c4ccc(F)cc4)ccc23)cc1 ZINC000013776643 562990977 /nfs/dbraw/zinc/99/09/77/562990977.db2.gz LIKKCTPAIGYZTR-UHFFFAOYSA-N 0 0 460.512 6.306 1 0 JKAFRN COC(=O)c1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)cc1)cn2C(C)C ZINC000013776652 562990991 /nfs/dbraw/zinc/99/09/91/562990991.db2.gz GNPNYMFYLRABBZ-UHFFFAOYSA-N 0 0 466.541 5.341 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1-3 ZINC000013777186 562991147 /nfs/dbraw/zinc/99/11/47/562991147.db2.gz YSWIPPWIWOBVFS-DEOSSOPVSA-N 0 0 455.907 8.115 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1-3 ZINC000013777187 562991155 /nfs/dbraw/zinc/99/11/55/562991155.db2.gz YSWIPPWIWOBVFS-XMMPIXPASA-N 0 0 455.907 8.115 1 0 JKAFRN CCCCN(CCCC)C(=O)c1cccc(CN2CCN(c3ccccc3OC(C)C)CC2)c1 ZINC000013779652 562991513 /nfs/dbraw/zinc/99/15/13/562991513.db2.gz MPYXUZCMIJMANC-UHFFFAOYSA-N 0 0 465.682 5.838 1 0 JKAFRN CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013779519 562991572 /nfs/dbraw/zinc/99/15/72/562991572.db2.gz YRATUKRSRQKZSM-UHFFFAOYSA-N 0 0 472.393 5.232 1 0 JKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl ZINC000013780020 562991703 /nfs/dbraw/zinc/99/17/03/562991703.db2.gz OUVJTARGMQBOKG-UHFFFAOYSA-N 0 0 473.935 6.050 1 0 JKAFRN O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(-c2cccs2)cc1)C1CCCCCC1 ZINC000013779965 562991735 /nfs/dbraw/zinc/99/17/35/562991735.db2.gz QOHNXNTVDSJSLO-UHFFFAOYSA-N 0 0 458.549 7.589 1 0 JKAFRN Cc1cccc(C)c1C(=O)N(C(=O)c1c(C)cccc1C)c1nc(-c2ccccn2)cc2ccccc21 ZINC000013781347 562992149 /nfs/dbraw/zinc/99/21/49/562992149.db2.gz HYZRWMGUXKHAJW-UHFFFAOYSA-N 0 0 485.587 7.018 1 0 JKAFRN CCN(CC)c1cc(C)nc(N(CC)c2c(Br)cc(C(C)C)cc2SC)n1 ZINC000013794497 562992960 /nfs/dbraw/zinc/99/29/60/562992960.db2.gz IJQZOZUSZFCWGT-UHFFFAOYSA-N 0 0 451.478 6.397 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(N(CCOC)Cc2ccccc2)n1 ZINC000013794434 562993001 /nfs/dbraw/zinc/99/30/01/562993001.db2.gz BRGUQGTVTZSFMR-UHFFFAOYSA-N 0 0 497.481 6.482 1 0 JKAFRN CCCCN(CC)c1nc(C)nc2c1nc(-c1ccccc1)n2-c1c(Cl)cc(OC)cc1OC ZINC000013795049 562993019 /nfs/dbraw/zinc/99/30/19/562993019.db2.gz PZERWQCMFDNEGC-UHFFFAOYSA-N 0 0 480.012 6.088 1 0 JKAFRN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1 ZINC000013797260 562993316 /nfs/dbraw/zinc/99/33/16/562993316.db2.gz NYFVZSBKYHXQCT-UHFFFAOYSA-N 0 0 479.408 5.246 1 0 JKAFRN CC(C)(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccccc3)C2=O)c1 ZINC000013798728 562993567 /nfs/dbraw/zinc/99/35/67/562993567.db2.gz OFRROJTVRCUBIF-XMMPIXPASA-N 0 0 499.615 5.276 1 0 JKAFRN CSCC[C@H](NC(=O)c1ccc(C[NH2+][C@H](C)CC2CCCCC2)cc1-c1ccccc1C)C(=O)[O-] ZINC000013802302 562994260 /nfs/dbraw/zinc/99/42/60/562994260.db2.gz RNJOVHDQWAMLOR-ZBLYBZFDSA-N 0 0 496.717 6.047 1 0 JKAFRN O=C(c1cccc2ccccc21)N1CCN(Cc2c[nH]cn2)c2ccc(C3CCCCC3)cc2C1 ZINC000013803071 562994685 /nfs/dbraw/zinc/99/46/85/562994685.db2.gz GLWPTKODBMVKOT-UHFFFAOYSA-N 0 0 464.613 6.273 1 0 JKAFRN CCCCc1oc2ccccc2c1Cc1ccc2c(ccc(O)c2I)c1 ZINC000013806815 562995218 /nfs/dbraw/zinc/99/52/18/562995218.db2.gz GFJUVBBGQHOSOK-UHFFFAOYSA-N 0 0 456.323 6.830 1 0 JKAFRN O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccc(Br)cc1 ZINC000013814552 562996188 /nfs/dbraw/zinc/99/61/88/562996188.db2.gz KYGBDLYSTSSZMH-UHFFFAOYSA-N 0 0 470.706 5.834 1 0 aggregator JKAFRN CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCc2ccccc2)c1C ZINC000013820784 562997607 /nfs/dbraw/zinc/99/76/07/562997607.db2.gz UMNPNRWGHUHFDS-JGCGQSQUSA-N 0 0 465.600 5.344 1 0 JKAFRN Cc1nnc2n1-c1sc(CCc3ccc4c(c3)CCO4)cc1C(c1ccccc1Cl)=NC2 ZINC000013821448 562997644 /nfs/dbraw/zinc/99/76/44/562997644.db2.gz YYFIKPSELURJMZ-UHFFFAOYSA-N 0 0 460.990 5.362 1 0 JKAFRN Cc1nnc2n1-c1sc(/C=C\c3ccc(C4CCCCC4)cc3)cc1C(c1ccccc1Cl)=NC2 ZINC000013821436 562997675 /nfs/dbraw/zinc/99/76/75/562997675.db2.gz NBDPPYKNFCLWMQ-SSZFMOIBSA-N 0 0 499.083 7.860 1 0 JKAFRN CN(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 ZINC000013821558 562997728 /nfs/dbraw/zinc/99/77/28/562997728.db2.gz JSDOJAUHPBADDC-UHFFFAOYSA-N 0 0 487.401 5.481 1 0 JKAFRN O=C1c2c(c(=O)n3nc(-c4ccccc4)cc3n2C/C=C/c2ccccc2)CN1C1CCCCC1 ZINC000013821985 562997825 /nfs/dbraw/zinc/99/78/25/562997825.db2.gz ZDKRBVXKYBUPTH-JLHYYAGUSA-N 0 0 464.569 5.165 1 0 JKAFRN CCCCc1nn2c(C)c(-c3ccccc3)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825703 562998355 /nfs/dbraw/zinc/99/83/55/562998355.db2.gz VGSGKGCKKLDMEJ-UHFFFAOYSA-N 0 0 488.599 5.744 1 0 JKAFRN CCCCc1nnc(Sc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825640 562998359 /nfs/dbraw/zinc/99/83/59/562998359.db2.gz KSILMFUYMOWLDM-UHFFFAOYSA-N 0 0 467.602 5.667 1 0 JKAFRN CCCCCNC(=O)Nc1c(SCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827565 562998598 /nfs/dbraw/zinc/99/85/98/562998598.db2.gz QNPISZGNCXWJBI-UHFFFAOYSA-N 0 0 479.694 6.419 1 0 JKAFRN CCCCCNC(=O)Nc1c(CCC)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827674 562998688 /nfs/dbraw/zinc/99/86/88/562998688.db2.gz WSEFELCLVRGDDP-UHFFFAOYSA-N 0 0 462.638 6.592 1 0 JKAFRN CCCCCNC(=O)Nc1c(CO)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827656 562998710 /nfs/dbraw/zinc/99/87/10/562998710.db2.gz OPAYAXOOUDLIDP-UHFFFAOYSA-N 0 0 450.583 5.132 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1Cl ZINC000013827809 562998831 /nfs/dbraw/zinc/99/88/31/562998831.db2.gz RMWSUUITXXPXRD-UHFFFAOYSA-N 0 0 455.002 6.293 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1C(=O)OCC ZINC000013827800 562998839 /nfs/dbraw/zinc/99/88/39/562998839.db2.gz GGAYERHLKKZIIW-UHFFFAOYSA-N 0 0 492.620 5.816 1 0 JKAFRN CCCCc1nc2cccc(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828056 562998944 /nfs/dbraw/zinc/99/89/44/562998944.db2.gz DQNOTSAWJZKWSG-UHFFFAOYSA-N 0 0 480.572 5.451 1 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1COc1cccc(NC(C)=O)c1 ZINC000013828628 562999026 /nfs/dbraw/zinc/99/90/26/562999026.db2.gz DSKBPTXZZQHPDY-NDEPHWFRSA-N 0 0 497.551 5.592 1 0 JKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1Oc1ccc(NC(C)=O)cc1 ZINC000013829630 562999106 /nfs/dbraw/zinc/99/91/06/562999106.db2.gz FCCIDJIVBKMEQZ-GDLZYMKVSA-N 0 0 493.563 6.213 1 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc2ccccc2c1-c1ccc(N(C)C)cc1 ZINC000013830328 562999153 /nfs/dbraw/zinc/99/91/53/562999153.db2.gz INEULBKEELFETR-KHRRBPMTSA-N 0 0 486.659 7.485 1 0 JKAFRN COc1ccc(-c2ccc(N(C)C)cc2)cc1[C@@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 ZINC000013830298 562999164 /nfs/dbraw/zinc/99/91/64/562999164.db2.gz ZWRXWRJMTZOPCG-GKFGNYHGSA-N 0 0 466.625 6.484 1 0 JKAFRN Cc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CC[C@H](C)[C@H]3C(=O)N2Cc2ccccc2)cc1 ZINC000013829767 562999202 /nfs/dbraw/zinc/99/92/02/562999202.db2.gz LVFKZAMYSADKJN-WCQCTAROSA-N 0 0 457.617 7.727 1 0 JKAFRN C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(-c2cc3ccccc3s2)cc1F ZINC000013830619 562999269 /nfs/dbraw/zinc/99/92/69/562999269.db2.gz NHRLRBGLAWZCPR-CRMNJMDHSA-N 0 0 467.609 7.619 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013830759 562999307 /nfs/dbraw/zinc/99/93/07/562999307.db2.gz SMKIVOGOMKHMBF-KJXXKTOFSA-N 0 0 471.572 6.422 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCc1ccccc1 ZINC000013833055 563000088 /nfs/dbraw/zinc/00/00/88/563000088.db2.gz SKGADOFSECCZFC-XVKXZNLDSA-N 0 0 485.628 5.336 1 0 JKAFRN CCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013833905 563000629 /nfs/dbraw/zinc/00/06/29/563000629.db2.gz YBEKCCYOXUEEQS-UHFFFAOYSA-N 0 0 498.509 5.013 1 0 JKAFRN Nc1nc2[nH]c(Cc3ccc(Cl)c(Cl)c3)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859511 563001708 /nfs/dbraw/zinc/00/17/08/563001708.db2.gz HVYYWYVBZRALDO-UHFFFAOYSA-N 0 0 463.166 5.944 1 0 JKAFRN CCOC(=O)c1c(CC)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013861018 563002307 /nfs/dbraw/zinc/00/23/07/563002307.db2.gz NSRNYHXNPLWZPI-FGZHOGPDSA-N 0 0 461.558 5.018 1 0 JKAFRN CCOC(=O)c1c(-c2ccccc2)c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 ZINC000013861022 563002371 /nfs/dbraw/zinc/00/23/71/563002371.db2.gz NKFMECVAIOCUQQ-DHIUTWEWSA-N 0 0 493.575 5.718 1 0 JKAFRN O=C([O-])c1ccc2c(c1)[C@@H](SCC[NH+]1CCC(Cc3ccccc3)CC1)c1ccccc1CO2 ZINC000013861357 563002470 /nfs/dbraw/zinc/00/24/70/563002470.db2.gz XPYPRYWHRKICON-NDEPHWFRSA-N 0 0 473.638 6.055 1 0 JKAFRN CO[C@@H]1O[C@H](OC)c2c1cc(O)c1c2O[C@@]2(C)CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]3(C)[C@H]2C1 ZINC000013912390 563004576 /nfs/dbraw/zinc/00/45/76/563004576.db2.gz QWMFMXXBQRMPTO-FNMFJPOZSA-N 0 0 474.594 5.190 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](Cc1ccc(C)c(C)c1)N(CC(=O)N[C@H]1CCc3ccccc31)CC2 ZINC000013919061 563004733 /nfs/dbraw/zinc/00/47/33/563004733.db2.gz YGJXGLLZMWNQHE-WUFINQPMSA-N 0 0 484.640 5.266 1 0 JKAFRN CCCN1C(=O)c2ccccc2[C@@]1(OCc1cc(OC)c(O)c(OC)c1)c1ccc(Cl)cc1 ZINC000013977712 563005104 /nfs/dbraw/zinc/00/51/04/563005104.db2.gz NDIKZCQEKGERHF-SANMLTNESA-N 0 0 467.949 5.347 1 0 in-vivo JKAFRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4c(cccc4C)[nH]3)cc2)cc1Br ZINC000013980936 563005190 /nfs/dbraw/zinc/00/51/90/563005190.db2.gz ITMMEYSHPBZPPA-UHFFFAOYSA-N 0 0 450.336 5.952 1 0 JKAFRN O=C(CSC(=S)N(Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000013983605 563005260 /nfs/dbraw/zinc/00/52/60/563005260.db2.gz KPMZQCRLBRJIHT-UHFFFAOYSA-N 0 0 475.466 6.652 1 0 JKAFRN COc1cccc2c1[nH]c1c2c(OC)cnc1CC[C@@H](OC)C(=O)c1nccc2c3ccccc3[nH]c21 ZINC000014655507 563006141 /nfs/dbraw/zinc/00/61/41/563006141.db2.gz FNSOWPJAPJEOEO-JOCHJYFZSA-N 0 0 494.551 5.593 1 0 JKAFRN COc1cc(Br)cc2c1Oc1cc(Br)cc(Br)c1O2 ZINC000014714231 563006305 /nfs/dbraw/zinc/00/63/05/563006305.db2.gz ISKZNWAHDOTSGW-UHFFFAOYSA-N 0 0 450.908 5.881 1 0 JKAFRN COCCn1c2ncc(NC3CCCCCCC3)cc2c(NC(=O)Cc2ccccc2)c1C(=O)OC ZINC000014747521 563006380 /nfs/dbraw/zinc/00/63/80/563006380.db2.gz SBMUSVUNEJRRMX-UHFFFAOYSA-N 0 0 492.620 5.175 1 0 JKAFRN O=C(c1c[nH]c2cc(Br)ccc12)C1=NC[C@@H](c2c[nH]c3cc(Br)ccc32)N1 ZINC000014768221 563006389 /nfs/dbraw/zinc/00/63/89/563006389.db2.gz YFOAHBJMHACINK-SFHVURJKSA-N 0 0 486.167 5.100 1 0 JKAFRN Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000014829484 563006440 /nfs/dbraw/zinc/00/64/40/563006440.db2.gz LILPTCHQLRKZNG-LPGNHZEISA-N 0 0 454.478 5.651 1 0 endogenous,in-man JKAFRN CS(=O)(=O)Nc1cccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)c1 ZINC000014945104 563006545 /nfs/dbraw/zinc/00/65/45/563006545.db2.gz YPTADYIVARXAPS-UHFFFAOYSA-N 0 0 456.527 5.178 1 0 JKAFRN CCOC(=O)c1cnc2cc(/C=C/c3ccncc3)ccc2c1Nc1ccc(Cl)cc1Cl ZINC000014945496 563006582 /nfs/dbraw/zinc/00/65/82/563006582.db2.gz MCKKAYXLKYZVST-ONEGZZNKSA-N 0 0 464.352 7.027 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3ccc(NC(=O)c4ccccc4)c4c3CNC4=O)cc2)c1 ZINC000014945240 563006597 /nfs/dbraw/zinc/00/65/97/563006597.db2.gz WLYXXRYIFCMOEL-UHFFFAOYSA-N 0 0 476.536 5.802 1 0 JKAFRN O=C(c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1)c1c(Cl)cccc1Cl ZINC000014945529 563006606 /nfs/dbraw/zinc/00/66/06/563006606.db2.gz DBJRQXDVPCPXCC-UHFFFAOYSA-N 0 0 474.347 7.408 1 0 JKAFRN FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCCc3ccc4c(c3)OCO4)o2)c1 ZINC000014946575 563006749 /nfs/dbraw/zinc/00/67/49/563006749.db2.gz HFVSTLBPVWQSID-UHFFFAOYSA-N 0 0 468.435 5.798 1 0 JKAFRN FC(F)(F)c1cccc(Nc2nnc(-c3ccncc3CCCc3ccc4c(c3)OCO4)o2)c1 ZINC000014946577 563006763 /nfs/dbraw/zinc/00/67/63/563006763.db2.gz ZYQKQBUXHBAHNF-UHFFFAOYSA-N 0 0 468.435 5.798 1 0 JKAFRN FC(F)(F)c1cccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)c1 ZINC000014946572 563006808 /nfs/dbraw/zinc/00/68/08/563006808.db2.gz JNAFZOJBATVPDU-UHFFFAOYSA-N 0 0 461.447 6.227 1 0 JKAFRN CCOC(=O)c1cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1C(C)C ZINC000014954048 563007291 /nfs/dbraw/zinc/00/72/91/563007291.db2.gz DLACNDICKJWAMH-UHFFFAOYSA-N 0 0 454.534 5.171 1 0 JKAFRN CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1 ZINC000014957294 563007929 /nfs/dbraw/zinc/00/79/29/563007929.db2.gz AQJFXYZAOCPIBG-UHFFFAOYSA-N 0 0 480.450 5.347 1 0 JKAFRN O=C(N[C@@H](CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1 ZINC000014959275 563008142 /nfs/dbraw/zinc/00/81/42/563008142.db2.gz HJTVLIXBOOZJMZ-FQEVSTJZSA-N 0 0 475.763 5.495 1 0 JKAFRN O=C(Nc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000014959474 563008231 /nfs/dbraw/zinc/00/82/31/563008231.db2.gz QFQRPKHHXYFRPW-QHCPKHFHSA-N 0 0 468.597 6.236 1 0 JKAFRN COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(-c3ccccc3)c2)cc1 ZINC000014971396 563009737 /nfs/dbraw/zinc/00/97/37/563009737.db2.gz ABTDLPNGXRILGJ-LJAQVGFWSA-N 0 0 499.655 5.659 1 0 JKAFRN O=C(c1ccccc1)c1cnc2c(cccc2C(F)(F)F)c1-c1cccc(NCc2ccccc2)c1 ZINC000014972603 563009842 /nfs/dbraw/zinc/00/98/42/563009842.db2.gz CUPCXDRVHZGUGE-UHFFFAOYSA-N 0 0 482.505 7.764 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(Cl)cc3)=NN2C(=O)c2ccccc2F)c1OC ZINC000014972965 563009935 /nfs/dbraw/zinc/00/99/35/563009935.db2.gz SSHNBLVLMIFHDU-HSZRJFAPSA-N 0 0 456.926 5.746 1 0 JKAFRN COc1cccc([C@@H]2SC(c3ccc(F)c(F)c3)=NN2C(=O)c2cccc(F)c2)c1OC ZINC000014972882 563009944 /nfs/dbraw/zinc/00/99/44/563009944.db2.gz ZMVRODFTWKZWCS-QHCPKHFHSA-N 0 0 458.461 5.371 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)ccc2C)c1OC ZINC000014972903 563009959 /nfs/dbraw/zinc/00/99/59/563009959.db2.gz VKBIQBUYQXDRMY-XMMPIXPASA-N 0 0 454.498 5.540 1 0 JKAFRN COc1ccccc1[C@]1(C)SC(c2ccc(F)cc2)=NN1C(=O)c1c(F)cc(F)cc1F ZINC000014972957 563009969 /nfs/dbraw/zinc/00/99/69/563009969.db2.gz QXTOGDQRXCPBNC-QHCPKHFHSA-N 0 0 460.452 5.675 1 0 JKAFRN COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)c(F)cc2F)c1OC ZINC000014972980 563010052 /nfs/dbraw/zinc/01/00/52/563010052.db2.gz ROLKOYRAZLSJBT-HSZRJFAPSA-N 0 0 476.451 5.510 1 0 JKAFRN CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C ZINC000014975834 563010255 /nfs/dbraw/zinc/01/02/55/563010255.db2.gz XIOGJRJKCCIQNF-UHFFFAOYSA-N 0 0 460.618 5.417 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn1-c1ccc(F)cc1F ZINC000014975722 563010268 /nfs/dbraw/zinc/01/02/68/563010268.db2.gz AYRYBKNCRMZKNE-UHFFFAOYSA-N 0 0 489.353 6.103 1 0 JKAFRN Cc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000014975675 563010294 /nfs/dbraw/zinc/01/02/94/563010294.db2.gz KYEFUEVBQBMRCK-UHFFFAOYSA-N 0 0 494.209 6.515 1 0 JKAFRN O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc([C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000014976878 563010431 /nfs/dbraw/zinc/01/04/31/563010431.db2.gz IWYOSSYNDBCVIR-NRFANRHFSA-N 0 0 489.437 5.242 1 0 JKAFRN COc1ccc2[nH]c(C(=O)N3CCC(n4c5ccccc5nc4-c4ccccc4)CC3)cc2c1 ZINC000014976945 563010450 /nfs/dbraw/zinc/01/04/50/563010450.db2.gz ZNSWMXKHYJKZDL-UHFFFAOYSA-N 0 0 450.542 5.671 1 0 JKAFRN CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCC3)c2c(=O)n(C)c1=O ZINC000014977654 563010743 /nfs/dbraw/zinc/01/07/43/563010743.db2.gz GUAPZNRGDUSXHS-UHFFFAOYSA-N 0 0 482.593 5.672 1 0 JKAFRN O=S(=O)(NCCc1c2ccccc2[nH]c1-c1cc2ccccc2o1)c1ccc(-c2ccncc2)cc1 ZINC000014978410 563010805 /nfs/dbraw/zinc/01/08/05/563010805.db2.gz MVZLOHBQRNMNNQ-UHFFFAOYSA-N 0 0 493.588 6.164 1 0 JKAFRN CCCCC/C=C\C/C=C\C/C=C\CCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12 ZINC000014979757 563011094 /nfs/dbraw/zinc/01/10/94/563011094.db2.gz XLDRFZQJNBBTGL-QNEBEIHSSA-N 0 0 466.666 7.732 1 0 JKAFRN COc1cc(O)c(C(=O)CCCCCCCCCCc2c(O)cccc2OC(C)=O)c(O)c1 ZINC000015113885 563011201 /nfs/dbraw/zinc/01/12/01/563011201.db2.gz KHZHIDWFRMUMQI-UHFFFAOYSA-N 0 0 458.551 5.674 1 0 biogenic,in-vitro JKAFRN COc1cc2c(cc1[C@](C)(O)C[C@@H](C)c1cc3cc(C(C)=O)c(O)cc3o1)C=CC(C)(C)O2 ZINC000015151280 563011247 /nfs/dbraw/zinc/01/12/47/563011247.db2.gz MFNSSDHBXSOHSG-YVORESIASA-N 0 0 450.531 5.935 1 0 JKAFRN Cc1ccc(CNC(=O)c2ccc(Cn3cc(-c4ccc(C)cc4)nc3-c3ccncc3)cc2)cc1 ZINC000015924914 563011799 /nfs/dbraw/zinc/01/17/99/563011799.db2.gz ZKMKWFWKIHHSEY-UHFFFAOYSA-N 0 0 472.592 6.207 3 0 JKAFRN COc1ccc(-c2oc3ccc(N4CCOCC4)cc3c2/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000015933826 563011888 /nfs/dbraw/zinc/01/18/88/563011888.db2.gz OAQCJSGICAKXPM-NYYWCZLTSA-N 0 0 471.553 6.133 3 0 JKAFRN CCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)Nc2ccccc2C)cc1 ZINC000016424364 563013061 /nfs/dbraw/zinc/01/30/61/563013061.db2.gz HNWMQLQDAHSXLY-UHFFFAOYSA-N 0 0 478.636 7.650 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)C(C)C ZINC000016569228 563013120 /nfs/dbraw/zinc/01/31/20/563013120.db2.gz BRTJWZZNJHPWAH-HHHXNRCGSA-N 0 0 459.590 5.207 1 0 JKAFRN O=S1(=O)[C@H](c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2[C@@H]1c1ccccc1 ZINC000017193148 563013633 /nfs/dbraw/zinc/01/36/33/563013633.db2.gz LYCCTLPTCSTPFD-RNPORBBMSA-N 0 0 478.638 7.689 1 0 JKAFRN O=c1[nH]nc(-c2ccccc2)c(-c2ccccc2)c1-n1nc(-c2ccccc2)c2ccccc2c1=O ZINC000017210384 563013691 /nfs/dbraw/zinc/01/36/91/563013691.db2.gz DZVUUSBGIKMWSG-UHFFFAOYSA-N 0 0 468.516 5.882 1 0 JKAFRN COc1ccc2c(c1)Oc1cc(O)ccc1[C@@H]2c1ccccc1C(=O)N[C@@H](C)c1ccccc1 ZINC000017213847 563013783 /nfs/dbraw/zinc/01/37/83/563013783.db2.gz WAWHGWCVKDJIIY-JMQGSBJISA-N 0 0 451.522 6.178 1 0 JKAFRN CCOP(=O)(OCC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1ccc(OC)cc1 ZINC000017259232 563014023 /nfs/dbraw/zinc/01/40/23/563014023.db2.gz WZGFUJSQNBJYSD-SFHVURJKSA-N 0 0 478.379 5.835 1 0 JKAFRN c1ccc(COC[C@@]23CCN(Cc4ccccc4)[C@@H](C[C@H](OCc4ccccc4)C2)S3)cc1 ZINC000017261149 563014072 /nfs/dbraw/zinc/01/40/72/563014072.db2.gz QNZRLJMUMQDXAN-ZGIBFIJWSA-N 0 0 459.655 6.286 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018023355 563014405 /nfs/dbraw/zinc/01/44/05/563014405.db2.gz LRFACTMSLTZXHZ-IDISGSTGSA-N 0 0 472.560 5.313 3 0 JKAFRN CCCCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)C1 ZINC000018153600 563014559 /nfs/dbraw/zinc/01/45/59/563014559.db2.gz CZRPLMPHCZQXTH-VWLOTQADSA-N 0 0 452.570 5.273 3 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1 ZINC000018847029 563014638 /nfs/dbraw/zinc/01/46/38/563014638.db2.gz RPZCFPLDPHTRPE-UHFFFAOYSA-N 0 0 453.955 5.053 1 0 JKAFRN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1c1cccs1 ZINC000020507986 563016219 /nfs/dbraw/zinc/01/62/19/563016219.db2.gz OHEUNJADFMENMX-LEWJYISDSA-N 0 0 474.504 5.333 1 0 JKAFRN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1c1cccs1 ZINC000020507988 563016260 /nfs/dbraw/zinc/01/62/60/563016260.db2.gz OHEUNJADFMENMX-RTWAWAEBSA-N 0 0 474.504 5.333 1 0 JKAFRN O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000028650463 563073861 /nfs/dbraw/zinc/07/38/61/563073861.db2.gz UNTDAMZZHIILNF-YHYXMXQVSA-N 0 0 450.166 5.449 1 0 JKAFRN CC(C)C(=O)N(c1ccccc1)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000025973676 563020750 /nfs/dbraw/zinc/02/07/50/563020750.db2.gz FFPMVAZTZYXUHW-VFRKKVTHSA-N 0 0 450.667 5.908 1 0 JKAFRN CC(=O)Nc1ccccc1Cc1cn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc2c1=O ZINC000025975444 563020756 /nfs/dbraw/zinc/02/07/56/563020756.db2.gz VKRNWLWDLMUOSV-UHFFFAOYSA-N 0 0 473.523 5.843 1 0 JKAFRN CCC(=O)[C@@H](Nc1ccc(Cl)cc1)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl ZINC000025976012 563020790 /nfs/dbraw/zinc/02/07/90/563020790.db2.gz XAQPOFUAMZOHGZ-FPOVZHCZSA-N 0 0 451.785 5.592 1 0 JKAFRN COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)c(C2CCCCC2)c1 ZINC000025978992 563020844 /nfs/dbraw/zinc/02/08/44/563020844.db2.gz YLYFEWUTFFLMQU-UHFFFAOYSA-N 0 0 476.654 6.451 1 0 JKAFRN COC(=O)C(C)(C)CCCOc1ccc(Br)c(OCCCC(C)(C)C(=O)OC)c1 ZINC000025980365 563020949 /nfs/dbraw/zinc/02/09/49/563020949.db2.gz RRDIHVQGYIFEKG-UHFFFAOYSA-N 0 0 473.404 5.166 1 0 JKAFRN CCN(c1ccc(C(C)C)cc1Br)c1nc(C)cc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000026005403 563021472 /nfs/dbraw/zinc/02/14/72/563021472.db2.gz ZCAQMSHMCVPYGU-UHFFFAOYSA-N 0 0 486.457 8.163 1 0 JKAFRN Clc1ccc([C@@]2(Cn3cncn3)OC3(CCCCC3)O[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000026007573 563021591 /nfs/dbraw/zinc/02/15/91/563021591.db2.gz QJMJNWNAJKJBGU-FYYLOGMGSA-N 0 0 478.807 6.582 1 0 JKAFRN CCCC[C@H](NC(=O)[C@@H](CSC(C)=O)[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1 ZINC000026017310 563021869 /nfs/dbraw/zinc/02/18/69/563021869.db2.gz NWZXIUTVGSRUAJ-IGKWTDBASA-N 0 0 455.620 5.104 1 0 JKAFRN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2NC(=O)OC(C)(C)C)cc1OC1CCCC1 ZINC000026144926 563022281 /nfs/dbraw/zinc/02/22/81/563022281.db2.gz FLWHVVRSAYNEGS-VQTJNVASSA-N 0 0 476.614 5.244 1 0 JKAFRN CC(=O)Nc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000026161321 563022772 /nfs/dbraw/zinc/02/27/72/563022772.db2.gz VLLPZZWVGHILFD-UHFFFAOYSA-N 0 0 460.365 6.079 1 0 JKAFRN COc1ccc2nc3c(c(C)nn3[C@H]3CC[C@@H](COC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026162372 563022881 /nfs/dbraw/zinc/02/28/81/563022881.db2.gz JWMMFJXCCAJQFO-FXAWDEMLSA-N 0 0 451.910 5.090 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@@H](Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000026163031 563022943 /nfs/dbraw/zinc/02/29/43/563022943.db2.gz XIKUSXQTILEQON-YJGRUCBDSA-N 0 0 457.309 5.067 1 0 JKAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccc(Oc3ccccc3)cc1)O2 ZINC000026169549 563023197 /nfs/dbraw/zinc/02/31/97/563023197.db2.gz LJGHNDSRUFUWSJ-HHHXNRCGSA-N 0 0 473.550 6.008 1 0 JKAFRN CCOC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026170059 563023309 /nfs/dbraw/zinc/02/33/09/563023309.db2.gz MLZFZVDIOKLDPO-UHFFFAOYSA-N 0 0 477.524 5.928 1 0 JKAFRN C[C@@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1 ZINC000026186177 563024065 /nfs/dbraw/zinc/02/40/65/563024065.db2.gz CEORVEGGKXSUQT-NZSLWZAJSA-N 0 0 480.686 5.376 1 0 JKAFRN COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000026187511 563024101 /nfs/dbraw/zinc/02/41/01/563024101.db2.gz KULQOYWLHMRRIA-NRFANRHFSA-N 0 0 450.343 5.522 1 0 JKAFRN O=C([O-])C[N@@H+]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000026187908 563024212 /nfs/dbraw/zinc/02/42/12/563024212.db2.gz MYNXKDZGXSJMTD-ICSRJNTNSA-N 0 0 461.402 5.531 1 0 JKAFRN C[C@@H](CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)CCCO)CC1 ZINC000026262299 563024762 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487.024 7.304 1 0 JKAFRN CCOC(=O)Cn1nc(CC)c(CCCCCCOc2ccc(OC)cc2Cl)c1CC ZINC000027761297 563051504 /nfs/dbraw/zinc/05/15/04/563051504.db2.gz BSFMBKCGTKMIRQ-UHFFFAOYSA-N 0 0 451.007 5.415 1 0 JKAFRN O=S(=O)(/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc(Nc2ncnc3ccccc32)cc1 ZINC000027769527 563051715 /nfs/dbraw/zinc/05/17/15/563051715.db2.gz WRCSULKFBPNONF-VAWYXSNFSA-N 0 0 487.478 6.117 1 0 JKAFRN COc1ccc(CN2CCc3c(sc(N)c3C(=O)c3ccc4ccccc4c3)C2)c(OC)c1OC ZINC000027881042 563052670 /nfs/dbraw/zinc/05/26/70/563052670.db2.gz PTZUTPVNPLGREM-UHFFFAOYSA-N 0 0 488.609 5.299 1 0 JKAFRN COC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC=C4[C@@H]5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]21 ZINC000027979242 563053565 /nfs/dbraw/zinc/05/35/65/563053565.db2.gz ZSUBCOMYNQZKKX-UVOZGHAWSA-N 0 0 472.754 6.766 1 0 JKAFRN C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(Cl)S(=O)(=O)Cc1ccccc1 ZINC000027984380 563053654 /nfs/dbraw/zinc/05/36/54/563053654.db2.gz NGUZMIIREWTSGN-IRAXVNTPSA-N 0 0 473.034 5.023 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5.545 1 0 JKAFRN O=C(CN1CCC(N2C(=O)OCc3ccc(F)cc32)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000028116994 563056654 /nfs/dbraw/zinc/05/66/54/563056654.db2.gz SGKPJNJGLULJQC-UHFFFAOYSA-N 0 0 465.569 5.433 1 0 JKAFRN O=C(CN1CCC(N2C(=O)OCc3c(F)cccc32)CC1)Nc1ccc2[nH]c3ccccc3c2c1 ZINC000028117191 563056662 /nfs/dbraw/zinc/05/66/62/563056662.db2.gz KADRJXGKSUYEMQ-UHFFFAOYSA-N 0 0 472.520 5.020 1 0 JKAFRN CCC(CC)n1cc2c3c1nc(C)nc3N(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2 ZINC000028117960 563056695 /nfs/dbraw/zinc/05/66/95/563056695.db2.gz SLHQCRXWSATTKO-UHFFFAOYSA-N 0 0 456.434 6.833 1 0 JKAFRN COc1ccc(Cn2cnc(N)c3nc([C@@H](C)COc4cccc(F)c4)nc2-3)cc1OC1CCCC1 ZINC000028120398 563056782 /nfs/dbraw/zinc/05/67/82/563056782.db2.gz CNUGPCOZBJLIPA-KRWDZBQOSA-N 0 0 491.567 5.060 1 0 JKAFRN CCn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000028121262 563056860 /nfs/dbraw/zinc/05/68/60/563056860.db2.gz ZUULGHRKDMXGPS-UHFFFAOYSA-N 0 0 476.835 7.260 1 0 JKAFRN 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CCc1nccn1Cc1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000028129826 563057249 /nfs/dbraw/zinc/05/72/49/563057249.db2.gz IHKDQYODOHVKAB-UHFFFAOYSA-N 0 0 455.720 6.673 1 0 JKAFRN C[C@]1(C2CCCC2)Cc2cc(CCc3ccc(-c4nn[nH]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028132592 563057404 /nfs/dbraw/zinc/05/74/04/563057404.db2.gz YUBMDUPQFJAXCO-XMMPIXPASA-N 0 0 455.389 5.894 1 0 JKAFRN CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3CO)c2)cc1C(F)(F)F ZINC000028133314 563057430 /nfs/dbraw/zinc/05/74/30/563057430.db2.gz XIHFTDUKDIRRKY-FQEVSTJZSA-N 0 0 472.576 7.003 1 0 JKAFRN Nc1cccc(N2C(=O)N(c3cccc(N)c3)[C@@H](Cc3ccccc3)[C@@H](O)[C@@H]2CCc2ccccc2)c1 ZINC000028134154 563057488 /nfs/dbraw/zinc/05/74/88/563057488.db2.gz XJGRVKTYVLYWKE-DTXPUJKBSA-N 0 0 492.623 5.271 1 0 JKAFRN Clc1ccc2ccc(COc3ccc(OCc4ccccc4Cc4nn[nH]n4)cc3)nc2c1 ZINC000028221957 563057876 /nfs/dbraw/zinc/05/78/76/563057876.db2.gz CFOGMFANYLGVOW-UHFFFAOYSA-N 0 0 457.921 5.150 1 0 JKAFRN Cc1cnc(C(=O)OCC(C)(C)CCCCOc2ccc(CCCCc3ccccc3)cc2)cn1 ZINC000028225071 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0 0 474.597 5.860 1 0 JKAFRN COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(OC)c2=O)cc1 ZINC000028244658 563058789 /nfs/dbraw/zinc/05/87/89/563058789.db2.gz QAUNCVISLNGGMW-MHZLTWQESA-N 0 0 460.570 5.557 1 0 JKAFRN C/N=c1\cc(C(C)C)ccc([C@H](c2ccc(OC)cc2)c2ccc(C(C)C)cc(NC)c2=O)c1O ZINC000028247109 563058940 /nfs/dbraw/zinc/05/89/40/563058940.db2.gz ZDNUDJZRELAKGC-UHFFFAOYSA-N 0 0 472.629 5.760 1 0 JKAFRN CCCNC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Cl ZINC000028333390 563059704 /nfs/dbraw/zinc/05/97/04/563059704.db2.gz WCYFXIAPEXIKJF-UHFFFAOYSA-N 0 0 454.184 7.169 1 0 JKAFRN CCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccccc1)CCN2c1c(C)cc(C)cc1C ZINC000028332819 563059727 /nfs/dbraw/zinc/05/97/27/563059727.db2.gz SBNGWQYGASVFKM-UHFFFAOYSA-N 0 0 484.566 6.117 1 0 JKAFRN CCCCOc1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)cc1C(=O)NCCC ZINC000028332602 563059733 /nfs/dbraw/zinc/05/97/33/563059733.db2.gz FQXFBMUSAUCRII-UHFFFAOYSA-N 0 0 491.846 7.695 1 0 JKAFRN 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ZINC000028757278 563077861 /nfs/dbraw/zinc/07/78/61/563077861.db2.gz XULGGEHBQAWTHL-UHFFFAOYSA-N 0 0 470.964 5.288 1 0 JKAFRN COC1(OC)C=CC(C2(C3=CCC(OC)(OC)C=C3)Sc3ccccc3-n3cccc32)=CC1 ZINC000028758899 563077934 /nfs/dbraw/zinc/07/79/34/563077934.db2.gz HJVDLWVVHCTDOQ-UHFFFAOYSA-N 0 0 463.599 5.529 1 0 JKAFRN CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4C(=O)N(C(=O)NC(C)(C)C)C(C)(C)C)[C@@H]3CC[C@H]12 ZINC000028760292 563078153 /nfs/dbraw/zinc/07/81/53/563078153.db2.gz UBWAAARDUZVCHZ-IHEJQGNASA-N 0 0 487.729 5.601 1 0 JKAFRN COc1ccc2c(c1)c(Cc1csc(-c3ccncc3)n1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000028761823 563078247 /nfs/dbraw/zinc/07/82/47/563078247.db2.gz LAWDVGKULZTSDS-UHFFFAOYSA-N 0 0 473.985 6.410 1 0 JKAFRN CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000028761447 563078307 /nfs/dbraw/zinc/07/83/07/563078307.db2.gz UNPBWYGDMWGQRT-UHFFFAOYSA-N 0 0 474.388 5.549 1 0 JKAFRN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@H](c2ccccc2)O[C@@]23[C@H](OC(=O)[C@H]12)c1ccccc1[C@@H]3O ZINC000028765263 563078586 /nfs/dbraw/zinc/07/85/86/563078586.db2.gz SJCQIKMJLOJSKF-YRXAXGLXSA-N 0 0 496.346 5.020 1 0 JKAFRN NC(=O)C[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000028765777 563078700 /nfs/dbraw/zinc/07/87/00/563078700.db2.gz KYKOACYJRWRBAC-LKUPVBHCSA-N 0 0 459.430 6.069 1 0 JKAFRN Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](Cc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000028766920 563078748 /nfs/dbraw/zinc/07/87/48/563078748.db2.gz ZVHUTQWXBDROQY-JYFHCDHNSA-N 0 0 465.380 6.368 1 0 JKAFRN Clc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)c(Cl)c1 ZINC000028766693 563078773 /nfs/dbraw/zinc/07/87/73/563078773.db2.gz TVWSBRQBUUFOSI-OALUTQOASA-N 0 0 454.151 5.594 1 0 JKAFRN CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1)c1cccc(OC(C)=O)c1 ZINC000028767446 563078846 /nfs/dbraw/zinc/07/88/46/563078846.db2.gz RULQMCURCSAUMX-AZPGRJICSA-N 0 0 458.510 5.832 1 0 JKAFRN O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1)N1CCC(c2ccccc2)CC1 ZINC000028768605 563078970 /nfs/dbraw/zinc/07/89/70/563078970.db2.gz PEVUWWOVVFKNBP-UHFFFAOYSA-N 0 0 475.514 7.017 1 0 JKAFRN Clc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccc(Br)cc3)O2)c(Cl)c1 ZINC000028768511 563079033 /nfs/dbraw/zinc/07/90/33/563079033.db2.gz FOEUMZMKNXQZRU-OALUTQOASA-N 0 0 454.151 5.594 1 0 JKAFRN Cc1nc2cnccc2n1-c1ccc(OCc2cccc(/C=C/c3ccc4ccccc4n3)c2)cc1 ZINC000028770603 563079188 /nfs/dbraw/zinc/07/91/88/563079188.db2.gz YMZWYTFVCNGENW-PKNBQFBNSA-N 0 0 468.560 7.027 1 0 JKAFRN COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C2 ZINC000028820043 563080506 /nfs/dbraw/zinc/08/05/06/563080506.db2.gz BUFNPAYKUGAAAO-HDZXXTJNSA-N 0 0 478.629 6.276 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc([C@H]3c4[nH]cnc4CCN3Cc3cccc(Cl)c3)cc2)cc1 ZINC000028820384 563080612 /nfs/dbraw/zinc/08/06/12/563080612.db2.gz FBGMBFCNXLQZOZ-MHZLTWQESA-N 0 0 487.003 5.149 1 0 JKAFRN CC[C@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)NC(=O)Oc1ccccc1F ZINC000028821687 563080726 /nfs/dbraw/zinc/08/07/26/563080726.db2.gz BDZLAFXHYNNBSK-AREMUKBSSA-N 0 0 499.630 7.792 1 0 JKAFRN FC(F)(F)c1ccc2c(c1)N(Cc1ccc(CNc3ccccn3)cc1)c1ccccc1S2 ZINC000028821670 563080736 /nfs/dbraw/zinc/08/07/36/563080736.db2.gz UKDMXQRMEHEMHM-UHFFFAOYSA-N 0 0 463.528 7.515 1 0 JKAFRN Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1 ZINC000028821683 563080776 /nfs/dbraw/zinc/08/07/76/563080776.db2.gz KCHOVCICRIAYSX-UHFFFAOYSA-N 0 0 453.586 6.875 1 0 JKAFRN CC[C@@H](CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)NC(=O)Oc1ccccc1F ZINC000028821686 563080778 /nfs/dbraw/zinc/08/07/78/563080778.db2.gz BDZLAFXHYNNBSK-SANMLTNESA-N 0 0 499.630 7.792 1 0 JKAFRN COc1cc(-c2csc3c2c(N)ncc3CCCO)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822582 563081189 /nfs/dbraw/zinc/08/11/89/563081189.db2.gz BGPDVHQUNWLDHE-UHFFFAOYSA-N 0 0 486.597 5.223 1 0 JKAFRN O=C1NC(=S)SC1=Cc1c(-c2ccccc2)nn(C2CCCCC2)c1SCc1ccco1 ZINC000028822832 563081334 /nfs/dbraw/zinc/08/13/34/563081334.db2.gz SYCIXUCCAOBOBY-ZHZULCJRSA-N 0 0 481.668 7.270 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2cccc(CCNS(=O)(=O)c3ccccc3)c2)cc2ccccc21 ZINC000028822968 563081498 /nfs/dbraw/zinc/08/14/98/563081498.db2.gz ITARVGIWSLJAAL-UHFFFAOYSA-N 0 0 476.598 5.613 1 0 JKAFRN O=C1OC[C@H]2[C@@H]1Cc1ccc(Cl)cc1[C@@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000028823192 563081530 /nfs/dbraw/zinc/08/15/30/563081530.db2.gz ZFZFABHLOVSBCO-TVUVQBGUSA-N 0 0 469.890 6.563 1 0 JKAFRN C[C@H](CCc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823244 563081542 /nfs/dbraw/zinc/08/15/42/563081542.db2.gz FRHYYMZXUMYAEY-QGZVFWFLSA-N 0 0 464.414 5.702 1 0 JKAFRN O=C1OC[C@H]2[C@@H]1Cc1ccc(F)cc1[C@@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000028823189 563081545 /nfs/dbraw/zinc/08/15/45/563081545.db2.gz XCGHGEVOIRJOGO-TVUVQBGUSA-N 0 0 453.435 6.049 1 0 JKAFRN COc1ccc2cc([C@@H](C)c3nnc4sc(COc5ccc(Cl)cc5Cl)nn43)ccc2c1 ZINC000028823126 563081549 /nfs/dbraw/zinc/08/15/49/563081549.db2.gz YYPNHRGIEGUKLH-CYBMUJFWSA-N 0 0 485.396 6.385 1 0 JKAFRN C[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823229 563081566 /nfs/dbraw/zinc/08/15/66/563081566.db2.gz AGUUKVAZOCMGFC-AWEZNQCLSA-N 0 0 470.805 6.096 1 0 JKAFRN COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S@@](C)=O)cc4)n3C)ccc2c1 ZINC000028823768 563081719 /nfs/dbraw/zinc/08/17/19/563081719.db2.gz GVSGFNAEUPRUIM-XIFFEERXSA-N 0 0 453.567 5.715 1 0 JKAFRN Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C=O)c(Cl)c1 ZINC000028824056 563081793 /nfs/dbraw/zinc/08/17/93/563081793.db2.gz VLCVBGADSVKDOF-UHFFFAOYSA-N 0 0 489.934 5.954 1 0 JKAFRN Clc1ccc2c(c1)nccc2NCCCCNc1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824120 563081801 /nfs/dbraw/zinc/08/18/01/563081801.db2.gz VYIWWBKNMMXFMM-UHFFFAOYSA-N 0 0 492.023 5.608 1 0 JKAFRN CC(C)CCn1c(CN2c3ccccc3[C@H](CC(=O)NCc3ccccc3)C2=O)nc2ccccc21 ZINC000028824445 563081936 /nfs/dbraw/zinc/08/19/36/563081936.db2.gz QNCRHYSOVTUTJR-DEOSSOPVSA-N 0 0 480.612 5.419 1 0 JKAFRN Cc1ccc(/C=C/C(=O)N2CCC([C@@H](C(=O)[O-])[NH+]3CCC(c4c[nH]c5ccccc54)CC3)CC2)cc1 ZINC000028824814 563081994 /nfs/dbraw/zinc/08/19/94/563081994.db2.gz AQZBOLMPADGBBR-NEDUETKASA-N 0 0 485.628 5.061 1 0 JKAFRN COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C=C2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C ZINC000028825239 563082172 /nfs/dbraw/zinc/08/21/72/563082172.db2.gz NAVKOPMIAAHRLS-UZKPEQQASA-N 0 0 478.541 5.035 1 0 JKAFRN O[C@@](Cc1ccnc2ccccc12)(C[C@]1(C2CCCC2)CCCc2ccccc21)C(F)(F)F ZINC000028826179 563082339 /nfs/dbraw/zinc/08/23/39/563082339.db2.gz QBWZUFGGKZCAOK-SVBPBHIXSA-N 0 0 453.548 6.925 1 0 JKAFRN CC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)OC)s1 ZINC000028827358 563083000 /nfs/dbraw/zinc/08/30/00/563083000.db2.gz QPNXNWQEJMCDFF-UZLBHIALSA-N 0 0 495.636 5.586 1 0 JKAFRN COC(C)(C)CCC[C@@H](C)c1cnc(NC(=O)[C@H](C)NC(=O)CCc2cc(F)cc(F)c2)s1 ZINC000028827359 563083005 /nfs/dbraw/zinc/08/30/05/563083005.db2.gz MPXNYRBVXQWUHY-CVEARBPZSA-N 0 0 481.609 5.196 1 0 JKAFRN CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)O)s1 ZINC000028827353 563083018 /nfs/dbraw/zinc/08/30/18/563083018.db2.gz XSHZFWXNHJNUBT-JXFKEZNVSA-N 0 0 495.636 5.322 1 0 JKAFRN COc1cc2c(cc1Cl)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)OCc1ccccc1 ZINC000028862803 563083328 /nfs/dbraw/zinc/08/33/28/563083328.db2.gz JKSQJMRKNPBBNI-UHFFFAOYSA-N 0 0 482.363 6.240 1 0 JKAFRN CCCC[C@H](O)CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1 ZINC000028862785 563083362 /nfs/dbraw/zinc/08/33/62/563083362.db2.gz IJUIYWLDJJQNFM-QFIPXVFZSA-N 0 0 459.508 6.935 1 0 JKAFRN COc1ccc(COCCSc2nc([C@@H](C)c3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc1 ZINC000028863012 563083430 /nfs/dbraw/zinc/08/34/30/563083430.db2.gz ONQQMDSUBPFLNP-AWEZNQCLSA-N 0 0 479.429 5.854 1 0 JKAFRN CCc1c(=O)[nH]c(SCCOCc2ccc(OC)cc2)nc1[C@H](C)c1c(F)cccc1F ZINC000028863029 563083473 /nfs/dbraw/zinc/08/34/73/563083473.db2.gz YNGVCDFBMCDGDN-OAHLLOKOSA-N 0 0 460.546 5.080 1 0 JKAFRN C[C@]12CC3CC(NC(=O)c4cn(CCC5CCCCC5)c5ccccc5c4=O)(C1)C[C@@](C)(C3)C2 ZINC000028864387 563083539 /nfs/dbraw/zinc/08/35/39/563083539.db2.gz GMQDMMDBFMLNTG-HCWJTZRGSA-N 0 0 460.662 6.451 1 0 JKAFRN N=c1sc2ccccc2n1CCCCCCCCCCCCn1c(=N)sc2ccccc21 ZINC000028865335 563083649 /nfs/dbraw/zinc/08/36/49/563083649.db2.gz NFKKZVNTZWIRCQ-UHFFFAOYSA-N 0 0 466.720 7.279 1 0 JKAFRN CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1 ZINC000028875842 563084385 /nfs/dbraw/zinc/08/43/85/563084385.db2.gz NXDFOKJLFVLPDN-PIYJQUHVSA-N 0 0 497.764 7.820 1 0 JKAFRN O=C1NC(=S)SC1=Cc1ccc2c(c1)N(CCc1ccc(C(F)(F)F)cc1)C(=O)CO2 ZINC000028883423 563084859 /nfs/dbraw/zinc/08/48/59/563084859.db2.gz YUQBXATVVVPFPH-YVLHZVERSA-N 0 0 464.490 5.003 1 0 JKAFRN CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2F)n1 ZINC000028896894 563085698 /nfs/dbraw/zinc/08/56/98/563085698.db2.gz NXSKYUVQJMCLKI-UHFFFAOYSA-N 0 0 458.497 5.282 1 0 JKAFRN Cc1ccc(-c2ncc(C(=O)N[C@@H](C)COc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000028900259 563086009 /nfs/dbraw/zinc/08/60/09/563086009.db2.gz QFCWCCDMADRXKD-QHCPKHFHSA-N 0 0 465.597 6.242 1 0 JKAFRN Cc1ccc(-c2ncc(C(=O)N[C@H](C)COc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 ZINC000028900264 563086011 /nfs/dbraw/zinc/08/60/11/563086011.db2.gz QFCWCCDMADRXKD-HSZRJFAPSA-N 0 0 465.597 6.242 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccc1C(F)(F)F ZINC000028948881 563086706 /nfs/dbraw/zinc/08/67/06/563086706.db2.gz KSNLPRQYWBIDPD-UHFFFAOYSA-N 0 0 458.823 5.407 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2cccs2)C3)cc2ccccc21 ZINC000028949631 563086797 /nfs/dbraw/zinc/08/67/97/563086797.db2.gz AGKUZMNQBHXLGU-OAQYLSRUSA-N 0 0 494.638 5.599 1 0 JKAFRN O=C(CC1CC1)n1c(-c2ccc3c(c2)C[C@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949509 563086811 /nfs/dbraw/zinc/08/68/11/563086811.db2.gz OCLUGKDGDSHUTF-XMMPIXPASA-N 0 0 470.594 5.194 1 0 JKAFRN O=C(C1CCCC1)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949516 563086817 /nfs/dbraw/zinc/08/68/17/563086817.db2.gz GOFKZQPHWQEKAE-VWLOTQADSA-N 0 0 484.621 5.584 1 0 JKAFRN COc1ccccc1C(=O)N[C@@H]1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1 ZINC000028949668 563086843 /nfs/dbraw/zinc/08/68/43/563086843.db2.gz RBJGBZDZNUUOPX-HSZRJFAPSA-N 0 0 482.580 5.997 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H](NC(=O)c2ccccc2F)C3)cc2ccccc21 ZINC000028949666 563086848 /nfs/dbraw/zinc/08/68/48/563086848.db2.gz QKNPSJWHUYDMPZ-QFIPXVFZSA-N 0 0 470.544 6.128 1 0 JKAFRN COc1cc(/C=C/C(=O)Oc2ccc(NC(C)=O)cc2)ccc1OC/C=C(\C)CCC=C(C)C ZINC000028951140 563087098 /nfs/dbraw/zinc/08/70/98/563087098.db2.gz LGJNMXUMTQSBPM-MWGXRISWSA-N 0 0 463.574 6.344 1 0 JKAFRN COc1ccc(COP(=O)(Cc2cccc3ccccc32)OCc2ccc(OC)c(F)c2)cc1F ZINC000028950493 563087103 /nfs/dbraw/zinc/08/71/03/563087103.db2.gz WAZLTEYBXRLLGI-UHFFFAOYSA-N 0 0 498.462 7.262 1 0 JKAFRN COc1cc(/C=C/C(=O)Oc2ccc3ccc(=O)oc3c2)ccc1OC/C=C(\C)CCC=C(C)C ZINC000028950962 563087125 /nfs/dbraw/zinc/08/71/25/563087125.db2.gz CETRHXWBQYZARD-SUKHYTALSA-N 0 0 474.553 6.492 1 0 JKAFRN CC(C)CCn1c2ccc(Br)cc2nc1Cn1c2ccccc2n(C(C)C)c1=O ZINC000028952156 563087405 /nfs/dbraw/zinc/08/74/05/563087405.db2.gz UNNMBZLBXHLAKH-UHFFFAOYSA-N 0 0 455.400 5.591 1 0 JKAFRN O=C(Nc1nc(-c2cc(C(F)(F)F)ccc2F)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952634 563087661 /nfs/dbraw/zinc/08/76/61/563087661.db2.gz WLBUATDXAKVDPG-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2cnccn2)cc1 ZINC000028952790 563087736 /nfs/dbraw/zinc/08/77/36/563087736.db2.gz WWLDEILFJZGVDA-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN COc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)ncn1 ZINC000028952838 563087835 /nfs/dbraw/zinc/08/78/35/563087835.db2.gz GGCIIQXBBQNDKK-UHFFFAOYSA-N 0 0 489.454 5.763 1 0 JKAFRN O=C(Nc1nsc(-c2cccc(OC(F)(F)F)c2F)n1)c1ccc(Nc2ccncn2)cc1 ZINC000028953174 563087846 /nfs/dbraw/zinc/08/78/46/563087846.db2.gz FFTWKETVMBGJPF-UHFFFAOYSA-N 0 0 476.415 5.029 1 0 JKAFRN Cc1cc(Nc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4F)cs3)cc2)nc(C)n1 ZINC000028952834 563087856 /nfs/dbraw/zinc/08/78/56/563087856.db2.gz GGPVDPFUOGOOCN-UHFFFAOYSA-N 0 0 487.482 6.371 1 0 JKAFRN C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C ZINC000028954900 563088178 /nfs/dbraw/zinc/08/81/78/563088178.db2.gz YISCUJJPIJSXKK-ONBAZCQBSA-N 0 0 455.598 6.490 1 0 JKAFRN C=C1OC(C)=N[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(OC)c(F)c3)C[C@@]12C ZINC000028954915 563088220 /nfs/dbraw/zinc/08/82/20/563088220.db2.gz DVIBYGTZNAJRGB-IOQHNNRJSA-N 0 0 461.577 6.435 1 0 JKAFRN CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CCOCC1 ZINC000028956454 563088360 /nfs/dbraw/zinc/08/83/60/563088360.db2.gz XGGKUCGJWXDILN-AZGAKELHSA-N 0 0 474.605 5.371 1 0 JKAFRN COc1ccc2c(c1)CC[C@@H](NC(=O)Nc1cccc3ccc(O)cc31)[C@@H]2Cc1ccccc1 ZINC000028958978 563088626 /nfs/dbraw/zinc/08/86/26/563088626.db2.gz VQQLTXOELCKOQJ-IXCJQBJRSA-N 0 0 452.554 6.017 1 0 JKAFRN O=C(NC[C@H](Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)Nc1cccc2cnccc21 ZINC000028958872 563088646 /nfs/dbraw/zinc/08/86/46/563088646.db2.gz BKSIRQSVWMUQPN-FQEVSTJZSA-N 0 0 467.466 6.541 1 0 JKAFRN O=C(NC[C@@H](Cc1cccc(C(F)(F)F)c1)c1ccc(F)cc1)Nc1cccc2cnccc21 ZINC000028958868 563088650 /nfs/dbraw/zinc/08/86/50/563088650.db2.gz BKSIRQSVWMUQPN-HXUWFJFHSA-N 0 0 467.466 6.541 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(Br)ccc2[C@H]1Cc1ccccc1 ZINC000028959202 563088736 /nfs/dbraw/zinc/08/87/36/563088736.db2.gz GRMQPDUTUVTBPO-AOYPEHQESA-N 0 0 486.413 6.460 1 0 JKAFRN COc1cc2c(cc1OC)[C@H](Cc1ccccc1)[C@H](NC(=O)Nc1cccc3cnccc31)CC2 ZINC000028959266 563088742 /nfs/dbraw/zinc/08/87/42/563088742.db2.gz MQYUBTNIICFEKB-AZGAKELHSA-N 0 0 467.569 5.715 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@@H]1CCc2cc(Br)ccc2[C@@H]1Cc1ccccc1 ZINC000028959206 563088753 /nfs/dbraw/zinc/08/87/53/563088753.db2.gz GRMQPDUTUVTBPO-AZGAKELHSA-N 0 0 486.413 6.460 1 0 JKAFRN COC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 ZINC000028962404 563089121 /nfs/dbraw/zinc/08/91/21/563089121.db2.gz IYAYQXCSVKOJEE-PMERELPUSA-N 0 0 498.554 5.551 1 0 JKAFRN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000028978764 563090347 /nfs/dbraw/zinc/09/03/47/563090347.db2.gz PALPAEXDGPKNEA-UHFFFAOYSA-N 0 0 487.425 5.568 1 0 JKAFRN O=C1[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccccc2)cc1F ZINC000028979514 563090401 /nfs/dbraw/zinc/09/04/01/563090401.db2.gz ZDBTYHSHLLRKTK-XMMPIXPASA-N 0 0 494.975 5.383 1 0 JKAFRN CC(C)(c1cc2cccnc2c(-c2cccc(-c3cccc(S(C)(=O)=O)c3)c2)c1)S(C)(=O)=O ZINC000029037746 563090538 /nfs/dbraw/zinc/09/05/38/563090538.db2.gz XPAIOGQLUFYLAF-UHFFFAOYSA-N 0 0 479.623 5.252 1 0 JKAFRN CCC[C@@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039168 563091067 /nfs/dbraw/zinc/09/10/67/563091067.db2.gz ZHOOXMZIRAGMFD-KDBREVJYSA-N 0 0 481.677 6.906 1 0 JKAFRN COc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1O ZINC000029039188 563091122 /nfs/dbraw/zinc/09/11/22/563091122.db2.gz VWXYIFPJDIFQOE-MDZDMXLPSA-N 0 0 455.595 5.082 1 0 JKAFRN Cc1cc(NC(=O)c2c(F)cccc2F)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042548 563091829 /nfs/dbraw/zinc/09/18/29/563091829.db2.gz MBIMMHWNYUQYKD-UHFFFAOYSA-N 0 0 467.903 6.003 1 0 JKAFRN C[C@H](OC(=O)NCc1ccccc1)[C@H]1c2ccccc2-c2c3c(c4c5ccccc5[nH]c4c21)CNC3=O ZINC000029043270 563091943 /nfs/dbraw/zinc/09/19/43/563091943.db2.gz PFEHGXFVDGRZKZ-XDHUDOTRSA-N 0 0 487.559 5.992 1 0 JKAFRN Cc1cc(NC(=O)CC2CCCCC2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029042700 563091947 /nfs/dbraw/zinc/09/19/47/563091947.db2.gz BLZBWEDSYVXFDZ-UHFFFAOYSA-N 0 0 451.998 6.381 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(C)C)cn1 ZINC000029043832 563092076 /nfs/dbraw/zinc/09/20/76/563092076.db2.gz CIQQXCYXDISZBO-UHFFFAOYSA-N 0 0 455.562 6.698 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C(C)C)cc1 ZINC000029043838 563092082 /nfs/dbraw/zinc/09/20/82/563092082.db2.gz HOVXRFVCALQWQM-UHFFFAOYSA-N 0 0 454.574 7.303 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000029043962 563092109 /nfs/dbraw/zinc/09/21/09/563092109.db2.gz XWICMDWOWXTZPX-UHFFFAOYSA-N 0 0 496.489 7.078 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccn2)n1 ZINC000029044102 563092195 /nfs/dbraw/zinc/09/21/95/563092195.db2.gz GSPVFJWPRRIMJI-UHFFFAOYSA-N 0 0 469.423 5.911 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000029044957 563092270 /nfs/dbraw/zinc/09/22/70/563092270.db2.gz BLOWXIFVYOKSMX-UHFFFAOYSA-N 0 0 494.639 8.227 1 0 in-vitro JKAFRN COC(=O)c1cc(Oc2ccccc2NC(=O)Nc2ccc(C(C)(C)C)cc2)n(-c2ccccc2)n1 ZINC000029045708 563092338 /nfs/dbraw/zinc/09/23/38/563092338.db2.gz GZAVBDLMSKYJFX-UHFFFAOYSA-N 0 0 484.556 6.393 1 0 JKAFRN Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(C(=O)[O-])CC[N@H+](Cc3ccccc3)C2)c1 ZINC000029046121 563092412 /nfs/dbraw/zinc/09/24/12/563092412.db2.gz RYWMZXARDFYYQX-UHFFFAOYSA-N 0 0 494.591 6.016 1 0 JKAFRN C[C@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=Cc2ncnc(N)c21 ZINC000029045894 563092427 /nfs/dbraw/zinc/09/24/27/563092427.db2.gz YHKUQCJEVCIGHL-QGZVFWFLSA-N 0 0 483.254 5.957 1 0 JKAFRN C[C@@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Cc2ncnc(N)c21 ZINC000029045885 563092437 /nfs/dbraw/zinc/09/24/37/563092437.db2.gz YQDBSXWNFJMQBE-NRFANRHFSA-N 0 0 471.196 5.834 1 0 JKAFRN COc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000029046016 563092439 /nfs/dbraw/zinc/09/24/39/563092439.db2.gz KXCFFAUBQJIUMC-UHFFFAOYSA-N 0 0 498.461 6.524 1 0 JKAFRN CCOc1ccc(Cc2nc3cc([S@@](=O)CC)c(Cl)cc3n2CC2CCOCC2)cc1 ZINC000029046971 563092519 /nfs/dbraw/zinc/09/25/19/563092519.db2.gz OMIYEBXRFHNCTA-WJOKGBTCSA-N 0 0 461.027 5.233 1 0 JKAFRN COc1c(Cl)cccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 ZINC000029051351 563092956 /nfs/dbraw/zinc/09/29/56/563092956.db2.gz QWZFTPOUFCNODC-UHFFFAOYSA-N 0 0 456.980 6.233 1 0 JKAFRN COc1cc2c(cc1OCCCn1c3ccccc3nc1-c1cccs1)N=C[C@@H]1CCCN1C2=O ZINC000029052323 563093086 /nfs/dbraw/zinc/09/30/86/563093086.db2.gz UMLFKQHPFHXOCN-SFHVURJKSA-N 0 0 486.597 5.563 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3ccc4c(c3)OCO4)cc(OC)c21 ZINC000029053146 563093185 /nfs/dbraw/zinc/09/31/85/563093185.db2.gz PDRSADQDRFEGBQ-RUZDIDTESA-N 0 0 452.554 6.543 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029053623 563093258 /nfs/dbraw/zinc/09/32/58/563093258.db2.gz PKMDVUAFJOXNKD-LJAQVGFWSA-N 0 0 464.653 7.939 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3cccc4ccccc43)cc(OC)c21 ZINC000029053421 563093264 /nfs/dbraw/zinc/09/32/64/563093264.db2.gz OZUHXJWRMSTYIM-SSEXGKCCSA-N 0 0 458.605 7.968 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(CCO)c1cccc2ccccc21 ZINC000029053594 563093270 /nfs/dbraw/zinc/09/32/70/563093270.db2.gz HYMDGUVGGVZBBW-GDLZYMKVSA-N 0 0 480.652 6.912 1 0 JKAFRN CCN(c1cccc2ccccc21)[C@@H]1CCCc2nc(-c3c(OC)cccc3OC)cc(OC)c21 ZINC000029053994 563093284 /nfs/dbraw/zinc/09/32/84/563093284.db2.gz TZGXEJLYSZSSII-RUZDIDTESA-N 0 0 468.597 6.832 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(CCO)c1cccc2ccccc21 ZINC000029053590 563093303 /nfs/dbraw/zinc/09/33/03/563093303.db2.gz HYMDGUVGGVZBBW-LJAQVGFWSA-N 0 0 480.652 6.912 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000029054027 563093319 /nfs/dbraw/zinc/09/33/19/563093319.db2.gz JVKYUESMTWIVHE-SANMLTNESA-N 0 0 494.601 7.337 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N1CCc2cc(OC)c(OC)cc2C1 ZINC000029054363 563093381 /nfs/dbraw/zinc/09/33/81/563093381.db2.gz ZMXMYHXDBFKTEV-SANMLTNESA-N 0 0 486.656 6.335 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2ccc(C(F)(F)F)cc2C1 ZINC000029054032 563093387 /nfs/dbraw/zinc/09/33/87/563093387.db2.gz JVKYUESMTWIVHE-AREMUKBSSA-N 0 0 494.601 7.337 1 0 JKAFRN CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4Br)c3)c2C1 ZINC000029055102 563093492 /nfs/dbraw/zinc/09/34/92/563093492.db2.gz YUKFFCYLIWEUEE-OAHLLOKOSA-N 0 0 457.372 5.085 1 0 JKAFRN C[C@]12C[C@H](c3ccc(-c4cccnc4)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21CCCC1=O ZINC000029059840 563093838 /nfs/dbraw/zinc/09/38/38/563093838.db2.gz QMKIPDAXFGAMES-IUBAKRFESA-N 0 0 477.648 7.388 1 0 JKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(OC)cc1 ZINC000029062885 563093966 /nfs/dbraw/zinc/09/39/66/563093966.db2.gz WCVSMBLDSVHGLZ-UHFFFAOYSA-N 0 0 478.342 5.275 1 0 JKAFRN CN(C(=O)c1ccc(F)cc1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn32)c1 ZINC000029123862 563094340 /nfs/dbraw/zinc/09/43/40/563094340.db2.gz WXHYUCYNKGSEQN-UHFFFAOYSA-N 0 0 456.502 5.105 1 0 JKAFRN Cn1c(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000029125198 563094608 /nfs/dbraw/zinc/09/46/08/563094608.db2.gz RGERTFPNRKJXMY-VEILYXNESA-N 0 0 475.414 5.418 1 0 JKAFRN CC1(C)O[C@H]2O[C@H](c3nc(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)[C@H](O)[C@H]2O1 ZINC000029126324 563095099 /nfs/dbraw/zinc/09/50/99/563095099.db2.gz BPWXITPHIBKLCZ-WDTRASESSA-N 0 0 468.553 5.175 1 0 JKAFRN CCC(O)(CC)CCCCCS[C@@H](C)C1=CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@]12C ZINC000029128642 563096453 /nfs/dbraw/zinc/09/64/53/563096453.db2.gz 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5.746 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(cccc4C(=O)Nc4nccs4)c3)c2cc1OC ZINC000029134094 563097622 /nfs/dbraw/zinc/09/76/22/563097622.db2.gz DSVAITHOERESIB-UHFFFAOYSA-N 0 0 457.511 5.906 1 0 JKAFRN Cc1cc(C)cc(NCc2ccc3nc(NCCc4ccccc4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134158 563097760 /nfs/dbraw/zinc/09/77/60/563097760.db2.gz RLKKTSCNGLBIAF-UHFFFAOYSA-N 0 0 491.639 6.377 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)nccc4C(=O)Nc3ccc(Cl)cc3)c2cc1OC ZINC000029134675 563098026 /nfs/dbraw/zinc/09/80/26/563098026.db2.gz RRBXHERNTPHTQX-UHFFFAOYSA-N 0 0 485.927 6.498 1 0 JKAFRN O=C([O-])c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(C[NH+]5CCCCC5)cc4)cc3)o2)n1 ZINC000029136037 563098145 /nfs/dbraw/zinc/09/81/45/563098145.db2.gz ALRPTAKEUYRQIL-UHFFFAOYSA-N 0 0 495.579 5.903 1 0 JKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCCCCCCSC(C)=O)cc1 ZINC000029216932 563098715 /nfs/dbraw/zinc/09/87/15/563098715.db2.gz GDTSUXZYHQWJOH-UHFFFAOYSA-N 0 0 463.728 8.016 1 0 JKAFRN CCCOP(=O)(OCCC)O[C@H](c1ccc(Cl)cc1)P(=O)(OCCC)OCCC ZINC000029222094 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RVZRZUSSPMQRHN-PGTDMYGYSA-N 0 0 488.453 5.195 1 0 JKAFRN O=S1(=O)C/C(=C\c2ccc(Cl)cc2)C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 ZINC000029307491 563099780 /nfs/dbraw/zinc/09/97/80/563099780.db2.gz JRSUHMWBDSWQLL-XDFBZRTDSA-N 0 0 483.420 6.039 1 0 JKAFRN COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(C(=O)OCc3ccccc3)cc2)cc1 ZINC000029336224 563100773 /nfs/dbraw/zinc/10/07/73/563100773.db2.gz FOENCGHEGSIBTJ-MUUNZHRXSA-N 0 0 486.568 5.051 1 0 JKAFRN CN(CCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000029342810 563101187 /nfs/dbraw/zinc/10/11/87/563101187.db2.gz QZVNIWYIYIHHQO-UHFFFAOYSA-N 0 0 479.464 6.947 1 0 JKAFRN CCCCC1=NC2(CCCC2)C(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029346757 563101390 /nfs/dbraw/zinc/10/13/90/563101390.db2.gz WZHJBFHCYASUBQ-UHFFFAOYSA-N 0 0 470.621 5.804 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029348194 563101459 /nfs/dbraw/zinc/10/14/59/563101459.db2.gz VAUOHNLMRQQSAZ-UHFFFAOYSA-N 0 0 451.410 6.563 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2cccnc2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000029389018 563101555 /nfs/dbraw/zinc/10/15/55/563101555.db2.gz LBLCHOZXIUXGRU-SANMLTNESA-N 0 0 464.487 6.471 1 0 JKAFRN Cn1cccc1-c1cccc(CN(C[C@H](O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1 ZINC000029392961 563101866 /nfs/dbraw/zinc/10/18/66/563101866.db2.gz QPJIMIBFHORPSY-SANMLTNESA-N 0 0 466.503 6.414 1 0 JKAFRN CCC(O)(CC)CCC[C@@H](C)C[C@@H](C)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029394898 563102047 /nfs/dbraw/zinc/10/20/47/563102047.db2.gz CCOVBKOEXPZTLW-NTUGQJACSA-N 0 0 462.759 7.201 1 0 JKAFRN CCOC(=O)[C@@H]1C(=CC(=O)c2ccccc2)NC(C)=C([N+](=O)[O-])[C@H]1c1ccccc1C(F)(F)F ZINC000029397503 563102276 /nfs/dbraw/zinc/10/22/76/563102276.db2.gz FZBWYEDQEFARQV-UZWWKXRDSA-N 0 0 474.435 5.530 1 0 JKAFRN CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3ccccc3C2=O)c1 ZINC000029401643 563102594 /nfs/dbraw/zinc/10/25/94/563102594.db2.gz SKYPQIFZXAVWSC-ZEQRLZLVSA-N 0 0 457.570 6.014 1 0 JKAFRN CCCCCCN(CCCCCSc1nc2cncnc2[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000029409914 563103085 /nfs/dbraw/zinc/10/30/85/563103085.db2.gz XRFFUVDSPMTLHB-UHFFFAOYSA-N 0 0 476.597 6.008 1 0 JKAFRN CCCCc1nc(Cl)c(CO)n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cc1 ZINC000029414792 563103549 /nfs/dbraw/zinc/10/35/49/563103549.db2.gz MLAOZRCXKNNLBD-DEOSSOPVSA-N 0 0 491.035 5.644 1 0 JKAFRN COc1ccc([C@H]2CCc3ccc(OC)cc3[C@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000029416218 563103660 /nfs/dbraw/zinc/10/36/60/563103660.db2.gz KPTAJWGRGURNFA-MVSFAKPFSA-N 0 0 477.604 6.423 1 0 JKAFRN CCOC(=O)[C@H]1CC(=O)c2ccc(COc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1 ZINC000029416404 563103673 /nfs/dbraw/zinc/10/36/73/563103673.db2.gz MFXCNEFCXXCREG-MUUNZHRXSA-N 0 0 483.520 5.290 1 0 JKAFRN CC(C)[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)[O-])CC[C@]32C)[C@@]1(C)CCC[NH3+] ZINC000029474100 563104816 /nfs/dbraw/zinc/10/48/16/563104816.db2.gz MZVKQLJRWMRSAW-VTCIZZQUSA-N 0 0 457.743 7.304 1 0 JKAFRN CCCC[C@]1(C)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029475766 563104912 /nfs/dbraw/zinc/10/49/12/563104912.db2.gz AOQKRBLMQYAZFA-UJFVEGPDSA-N 0 0 487.604 5.300 1 0 JKAFRN CCCCc1nc2ccc(C)c(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000029478927 563105084 /nfs/dbraw/zinc/10/50/84/563105084.db2.gz AFQAWKNDIWAUQE-UHFFFAOYSA-N 0 0 480.572 5.369 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCc1ccccc1)CCc1ccccc1 ZINC000029479315 563105176 /nfs/dbraw/zinc/10/51/76/563105176.db2.gz BEBKBVKXUBLHIE-AREMUKBSSA-N 0 0 477.645 5.550 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc1ccccc1)CCc1ccccc1 ZINC000029479318 563105191 /nfs/dbraw/zinc/10/51/91/563105191.db2.gz BEBKBVKXUBLHIE-SANMLTNESA-N 0 0 477.645 5.550 1 0 JKAFRN COc1ccc(C(=C/C=C/C(=O)N[C@@H](C)CCCc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000029480344 563105251 /nfs/dbraw/zinc/10/52/51/563105251.db2.gz PSJXTUCCJLEFFC-PXWJQCMDSA-N 0 0 456.586 5.614 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1N(C)C ZINC000029483652 563105407 /nfs/dbraw/zinc/10/54/07/563105407.db2.gz XXZHOVOIXXUDMA-UHFFFAOYSA-N 0 0 455.606 6.982 1 0 JKAFRN COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2-c2cccc(OC)c2)c1 ZINC000029483999 563105482 /nfs/dbraw/zinc/10/54/82/563105482.db2.gz ZQFCRQKJBRPYSJ-UHFFFAOYSA-N 0 0 466.581 6.186 1 0 JKAFRN COc1ccc(C(=C/C=C/C(=O)Nc2ccc(Cc3cccnc3)cc2)c2ccc(OC)cc2)cc1 ZINC000029485077 563105569 /nfs/dbraw/zinc/10/55/69/563105569.db2.gz OGAVCNRUVWVHCY-XVNBXDOJSA-N 0 0 476.576 6.316 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1Br ZINC000029486672 563105600 /nfs/dbraw/zinc/10/56/00/563105600.db2.gz QLFUNEMAEDOUNJ-UHFFFAOYSA-N 0 0 491.433 7.679 1 0 JKAFRN Fc1ccc(-n2c3ccc(F)cc3c3c2CCN(CCCCc2ccnc4ccccc24)C3)cc1 ZINC000029488445 563105685 /nfs/dbraw/zinc/10/56/85/563105685.db2.gz BDVHFCSRISBQMJ-UHFFFAOYSA-N 0 0 467.563 6.838 1 0 JKAFRN O=C(/C=C/C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCCCCc1cccnc1 ZINC000029488166 563105690 /nfs/dbraw/zinc/10/56/90/563105690.db2.gz 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LSZLSTWIIZGABA-NDEPHWFRSA-N 0 0 471.484 5.812 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@H]2C1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000036294709 563125556 /nfs/dbraw/zinc/12/55/56/563125556.db2.gz IQBDRJGQTWPMPY-KBPBESRZSA-N 0 0 476.795 5.271 1 0 JKAFRN O=C(NN1C[C@H]2CCC[C@@H]2C1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000036294721 563125562 /nfs/dbraw/zinc/12/55/62/563125562.db2.gz AKOJRLZCOBTYPX-HUUCEWRRSA-N 0 0 476.795 5.271 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000036294822 563125580 /nfs/dbraw/zinc/12/55/80/563125580.db2.gz HAMLZAXSMZZNHH-MZNJEOGPSA-N 0 0 490.858 7.335 1 0 JKAFRN C[C@@]1(c2cccc3ccccc32)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(Cl)c1 ZINC000036330424 563125984 /nfs/dbraw/zinc/12/59/84/563125984.db2.gz KTIYPXIOLFUYRZ-HHHXNRCGSA-N 0 0 472.976 5.460 1 0 JKAFRN CCOC(=O)c1cn(C)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331614 563126254 /nfs/dbraw/zinc/12/62/54/563126254.db2.gz GHRYZTKRVICZMO-UHFFFAOYSA-N 0 0 476.598 5.084 1 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ZINC000036381930 563127826 /nfs/dbraw/zinc/12/78/26/563127826.db2.gz MBCAHNSOENMHEJ-DENIHFKCSA-N 0 0 463.496 5.706 1 0 JKAFRN CCCCCCSc1cc(-c2nc3ccc(C)cn3c2NCc2ccccc2)ccc1OC ZINC000036382333 563127884 /nfs/dbraw/zinc/12/78/84/563127884.db2.gz AGJDEFROPBEZAX-UHFFFAOYSA-N 0 0 459.659 7.603 3 0 JKAFRN CCCCCCSc1ccc(-c2nc3ccc(C)cn3c2NCc2ccccc2)cc1OC ZINC000036382324 563127903 /nfs/dbraw/zinc/12/79/03/563127903.db2.gz DRTFPUBDVJZOTJ-UHFFFAOYSA-N 0 0 459.659 7.603 3 0 JKAFRN COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036387364 563129264 /nfs/dbraw/zinc/12/92/64/563129264.db2.gz GEAQFHSSVRYART-MBPYSEENSA-N 0 0 474.944 5.049 3 0 JKAFRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000036387941 563129333 /nfs/dbraw/zinc/12/93/33/563129333.db2.gz BZJZORSWXAMUTC-IVLSQBGHSA-N 0 0 469.556 6.191 1 0 JKAFRN COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13CC(=O)N(Cc4ccc(OC)cc4)[C@@](C)(CC[C@@H]12)C3 ZINC000036387946 563129335 /nfs/dbraw/zinc/12/93/35/563129335.db2.gz UCELPMARSSWDIG-BIEUUZTFSA-N 0 0 467.650 5.752 3 0 JKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000036388437 563129468 /nfs/dbraw/zinc/12/94/68/563129468.db2.gz PDTHXPVGGVIYNJ-RNSRDWAJSA-N 0 0 471.572 6.422 1 0 JKAFRN COc1cccc(-c2c3cc(-c4ccc5[nH]ccc5c4)ccc3n(C)c2-c2cc(OC)cc(OC)c2)c1 ZINC000036388654 563129558 /nfs/dbraw/zinc/12/95/58/563129558.db2.gz OMELGXSRMSKXLJ-UHFFFAOYSA-N 0 0 488.587 7.686 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4cnc(OC)nc4)ccc3n2C)c1 ZINC000036388815 563129646 /nfs/dbraw/zinc/12/96/46/563129646.db2.gz UVYJXUPTOMBQJD-UHFFFAOYSA-N 0 0 469.516 6.134 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)c(OC)c4)ccc3n2C)c1 ZINC000036388823 563129662 /nfs/dbraw/zinc/12/96/62/563129662.db2.gz SJRFQRXVTBRIMD-UHFFFAOYSA-N 0 0 485.605 7.275 3 0 JKAFRN COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1 ZINC000036389416 563129815 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0 JKAFRN COc1cccc([C@@H]2c3c(ccc4ccccc43)Oc3ncn(-c4cccc(OC)c4)c(=N)c32)c1 ZINC000038142922 563131540 /nfs/dbraw/zinc/13/15/40/563131540.db2.gz UGPMTEHNCAFYDK-RUZDIDTESA-N 0 0 461.521 5.808 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4C(C)(C)C)c(=N)c32)c1 ZINC000038142916 563131541 /nfs/dbraw/zinc/13/15/41/563131541.db2.gz BQRJETUXUYFMAU-MHZLTWQESA-N 0 0 487.603 7.097 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4SC)c(=N)c32)c1 ZINC000038142933 563131551 /nfs/dbraw/zinc/13/15/51/563131551.db2.gz HJZVJEUJFDCSQV-VWLOTQADSA-N 0 0 477.589 6.521 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccc5c(c4)OCO5)c(=N)c32)c1 ZINC000038142935 563131552 /nfs/dbraw/zinc/13/15/52/563131552.db2.gz JCTNHVWDRDXRGU-VWLOTQADSA-N 0 0 475.504 5.528 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4OC)c(=N)c32)c1 ZINC000038142921 563131563 /nfs/dbraw/zinc/13/15/63/563131563.db2.gz QBEYDFXAPLCGKO-VWLOTQADSA-N 0 0 461.521 5.808 1 0 JKAFRN CCOC(=O)c1ccccc1-c1c2c(c(O)c3ncccc31)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000038143454 563131637 /nfs/dbraw/zinc/13/16/37/563131637.db2.gz XZBREEPFBNJFPK-UHFFFAOYSA-N 0 0 456.473 5.079 1 0 JKAFRN CN(c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1)C1CCCCC1 ZINC000038145027 563131641 /nfs/dbraw/zinc/13/16/41/563131641.db2.gz JJTLYFUOOPYTDY-UHFFFAOYSA-N 0 0 455.524 6.594 1 0 JKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@H]4CC4(F)F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147879 563131914 /nfs/dbraw/zinc/13/19/14/563131914.db2.gz YYBRDJACMSSFST-QGZVFWFLSA-N 0 0 466.875 5.729 1 0 JKAFRN CCN(Cc1nc(-c2cccc(Cl)c2)oc1C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000038149640 563132037 /nfs/dbraw/zinc/13/20/37/563132037.db2.gz BATZVQCOFGOVMF-UHFFFAOYSA-N 0 0 492.847 6.642 1 0 JKAFRN CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)[C@@](CC)(C(=O)OC)c1ccccc1 ZINC000038149621 563132057 /nfs/dbraw/zinc/13/20/57/563132057.db2.gz WRDYYYJMUBDBTD-LJQANCHMSA-N 0 0 463.418 5.304 1 0 JKAFRN C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000038217156 563133277 /nfs/dbraw/zinc/13/32/77/563133277.db2.gz JEDNEJGSAFQCKK-RBZPDDGOSA-N 0 0 458.727 6.400 1 0 JKAFRN COC(=O)[C@H](C)CC(=O)C[C@@H](C)C1=CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000038217742 563133281 /nfs/dbraw/zinc/13/32/81/563133281.db2.gz QIMIUNGNQNMMLJ-NDWGWJLQSA-N 0 0 484.721 6.667 1 0 JKAFRN Cc1[nH]c(C)c(-c2ccc(OCc3ccc(OC(F)(F)F)cc3)nc2)c(=O)c1Br ZINC000038217388 563133285 /nfs/dbraw/zinc/13/32/85/563133285.db2.gz YISCDAWSGMIIAZ-UHFFFAOYSA-N 0 0 469.257 5.294 1 0 JKAFRN CCC(=O)N1CCC[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000038232534 563133474 /nfs/dbraw/zinc/13/34/74/563133474.db2.gz LEYRPDALVKRUEV-OBGWKZADSA-N 0 0 459.715 5.406 1 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccnn1-c1ccccc1 ZINC000038309952 563133740 /nfs/dbraw/zinc/13/37/40/563133740.db2.gz IGMNYLUBBCSLBA-NRFANRHFSA-N 0 0 452.407 5.635 1 0 JKAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1 ZINC000038310763 563133792 /nfs/dbraw/zinc/13/37/92/563133792.db2.gz ACDXMPQSFVRESB-LJQANCHMSA-N 0 0 491.988 6.062 1 0 JKAFRN COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC=C2C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000038310652 563133803 /nfs/dbraw/zinc/13/38/03/563133803.db2.gz DSRXFFLSYVPYKU-NVHZQPCMSA-N 0 0 484.721 6.523 1 0 JKAFRN CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc(I)cc32)c1 ZINC000038336248 563133883 /nfs/dbraw/zinc/13/38/83/563133883.db2.gz PHVBWHGVWOUGIC-DEOSSOPVSA-N 0 0 483.349 5.581 1 0 JKAFRN Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F ZINC000038360288 563133950 /nfs/dbraw/zinc/13/39/50/563133950.db2.gz PHUOGFXDMSBGIK-HSZRJFAPSA-N 0 0 452.492 6.001 1 0 JKAFRN CCC(CC)(c1ccc(CC[C@@H](O)C(C)(C)C)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1 ZINC000038347775 563133974 /nfs/dbraw/zinc/13/39/74/563133974.db2.gz JJOMAWLCWXOASI-AHKZPQOWSA-N 0 0 456.667 5.481 1 0 JKAFRN CCOC(=O)/C=C/C1([C@H](O)/C=C/[C@@H](C)[C@H]2CC[C@H]3/C(=C/C=C4C[C@@H](O)C[C@H](O)C4)CCC[C@@]32C)CC1 ZINC000038384065 563134134 /nfs/dbraw/zinc/13/41/34/563134134.db2.gz UDWJBXZEWVHHNO-ABURYDHOSA-N 0 0 498.704 5.414 1 0 JKAFRN CC(C)(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1N ZINC000038430588 563134468 /nfs/dbraw/zinc/13/44/68/563134468.db2.gz ZBQRPVYKKFQYEU-UHFFFAOYSA-N 0 0 473.787 7.933 1 0 JKAFRN CCOC(=O)CCCCn1cc(-c2nc(Cc3ccc4ccccc4c3)no2)c2ccccc21 ZINC000038470765 563134648 /nfs/dbraw/zinc/13/46/48/563134648.db2.gz JPDLIXGMALSOMP-UHFFFAOYSA-N 0 0 453.542 6.169 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000038461019 563134675 /nfs/dbraw/zinc/13/46/75/563134675.db2.gz WADFFGDAIJGNFH-HOYKHHGWSA-N 0 0 456.413 6.682 1 0 JKAFRN COc1ccc(OC(C)=O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1OC ZINC000038515261 563134952 /nfs/dbraw/zinc/13/49/52/563134952.db2.gz ZEMWEUKQWJNNOA-WCGUESEVSA-N 0 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biogenic,in-vitro JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2C)n1 ZINC000039187994 563136382 /nfs/dbraw/zinc/13/63/82/563136382.db2.gz INFGJUQNPPGDNS-UHFFFAOYSA-N 0 0 494.477 6.344 1 0 in-vitro JKAFRN COC(=O)[C@H](Oc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242690 563136439 /nfs/dbraw/zinc/13/64/39/563136439.db2.gz YVOWLTDQVBWCHN-HHHXNRCGSA-N 0 0 474.940 7.004 1 0 JKAFRN COC(=O)[C@H](Oc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242686 563136450 /nfs/dbraw/zinc/13/64/50/563136450.db2.gz BXZIYEGQJKYIQG-HXUWFJFHSA-N 0 0 472.151 7.386 1 0 JKAFRN COC(=O)[C@@H](Oc1ccc(Cl)c2ccccc12)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242685 563136487 /nfs/dbraw/zinc/13/64/87/563136487.db2.gz XIUCMHFHEUITSI-DEOSSOPVSA-N 0 0 453.321 7.232 1 0 JKAFRN COC(=O)[C@@H](Oc1cc(Cl)c(Cl)c(Cl)c1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000039242687 563136510 /nfs/dbraw/zinc/13/65/10/563136510.db2.gz BXZIYEGQJKYIQG-FQEVSTJZSA-N 0 0 472.151 7.386 1 0 JKAFRN CCC(=O)C(CCCCCCOc1ccc(OC(=O)c2ccc(OC)cc2)cc1)=C(O)CC ZINC000039214258 563136511 /nfs/dbraw/zinc/13/65/11/563136511.db2.gz QDRQUVCBJVZRNW-UHFFFAOYSA-N 0 0 454.563 5.818 1 0 JKAFRN COC(=O)[C@@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242741 563136528 /nfs/dbraw/zinc/13/65/28/563136528.db2.gz INAQUOUIQYKZQZ-DEOSSOPVSA-N 0 0 453.321 7.232 1 0 JKAFRN COC(=O)[C@H](Oc1ccc(Cl)cc1)c1ccc(Oc2ccc(Cl)c3ccccc23)cc1 ZINC000039242740 563136539 /nfs/dbraw/zinc/13/65/39/563136539.db2.gz INAQUOUIQYKZQZ-XMMPIXPASA-N 0 0 453.321 7.232 1 0 JKAFRN Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)N4CCC[C@@H]5CCCC[C@@H]54)c3)ncn2)c1 ZINC000039301252 563136632 /nfs/dbraw/zinc/13/66/32/563136632.db2.gz QHWRTJGYQNYOAF-OFVILXPXSA-N 0 0 455.606 6.091 1 0 JKAFRN COc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc21 ZINC000040379519 563137220 /nfs/dbraw/zinc/13/72/20/563137220.db2.gz MXJZHZBJXXYPOR-UHFFFAOYSA-N 0 0 465.500 5.278 1 0 JKAFRN Clc1ccc(Cc2cnc(-c3csc4ccccc34)n2C2CCC3(CC2)OCCO3)cc1 ZINC000040380103 563137450 /nfs/dbraw/zinc/13/74/50/563137450.db2.gz BPTRIBNSVMBJGJ-UHFFFAOYSA-N 0 0 465.018 6.867 1 0 JKAFRN COC(=O)CC[C@H]1[C@]2(C)CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]3(C)[C@H]2CC[C@]1(C)C(C)=O ZINC000040390750 563137739 /nfs/dbraw/zinc/13/77/39/563137739.db2.gz DGXAVHZYUWXIIE-OWIXSSHYSA-N 0 0 472.754 8.000 1 0 JKAFRN COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cccc3C(C)C)CCN(c3ccccc3)CC2)c1 ZINC000040391166 563137760 /nfs/dbraw/zinc/13/77/60/563137760.db2.gz IYHBUYICNSDGBE-UHFFFAOYSA-N 0 0 499.699 7.302 1 0 JKAFRN COc1cc(O)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1C/C=C(\C)CCC=C(C)C)CC2=O ZINC000040392062 563137946 /nfs/dbraw/zinc/13/79/46/563137946.db2.gz BLFXLELSWAZFCU-SMVBDFJKSA-N 0 0 466.574 6.360 1 0 JKAFRN CCCCCC[C@@H](Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040392705 563138053 /nfs/dbraw/zinc/13/80/53/563138053.db2.gz AJNPGTVPEZEDBT-LJQANCHMSA-N 0 0 459.999 6.465 1 0 JKAFRN COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Br)cc4)cc32)c1 ZINC000040392676 563138082 /nfs/dbraw/zinc/13/80/82/563138082.db2.gz UESGKRWPTDQXDU-UHFFFAOYSA-N 0 0 464.323 5.789 1 0 JKAFRN CO/C(=C/C(=O)N(C)[C@H](Cc1ccccc1)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000040392960 563138201 /nfs/dbraw/zinc/13/82/01/563138201.db2.gz UGNRFJOMRFTXSQ-DDIQFUEISA-N 0 0 461.842 5.812 1 0 JKAFRN CCOC(=O)C(=CNc1cc(Br)c(OC)c(Br)c1)c1ccc(Cl)cc1 ZINC000040394374 563138699 /nfs/dbraw/zinc/13/86/99/563138699.db2.gz IUBWDSVKAXYFBB-UVTDQMKNSA-N 0 0 489.591 5.890 1 0 JKAFRN COc1ccc(-c2cc3c4n[nH]c(=O)n4c(C(C)(C)C)nc3nc2-c2ccccc2Cl)cc1 ZINC000040395138 563138997 /nfs/dbraw/zinc/13/89/97/563138997.db2.gz YSEHVCQFPADPSX-UHFFFAOYSA-N 0 0 459.937 5.259 1 0 JKAFRN O=C(Nc1ccc(Br)cc1)Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1 ZINC000040395358 563139115 /nfs/dbraw/zinc/13/91/15/563139115.db2.gz YYRRAUCSRHFTJQ-UHFFFAOYSA-N 0 0 452.287 5.919 1 0 JKAFRN CC(C)c1c(=O)[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000040395486 563139198 /nfs/dbraw/zinc/13/91/98/563139198.db2.gz KYXDGAPMIBPIRR-UHFFFAOYSA-N 0 0 465.377 5.905 1 0 JKAFRN Cc1ccc(N(C)c2nnc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)s2)cc1 ZINC000040401939 563139577 /nfs/dbraw/zinc/13/95/77/563139577.db2.gz CCYYBCOHHBKBDL-UHFFFAOYSA-N 0 0 471.615 5.549 1 0 JKAFRN O=C(c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc32)cc1)N1CCCC1 ZINC000040401817 563139578 /nfs/dbraw/zinc/13/95/78/563139578.db2.gz WLTJDPRVHGCSPB-UHFFFAOYSA-N 0 0 485.400 6.116 1 0 JKAFRN OCc1ccc(-c2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)o1 ZINC000040403458 563139725 /nfs/dbraw/zinc/13/97/25/563139725.db2.gz GYCAMAWPCOYTTF-UHFFFAOYSA-N 0 0 481.936 6.559 1 0 JKAFRN COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404473 563139863 /nfs/dbraw/zinc/13/98/63/563139863.db2.gz GJETYJGJTUFSQG-MHZLTWQESA-N 0 0 482.559 5.797 1 0 JKAFRN Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5ccco5)cc43)cc2Cl)c1 ZINC000040404350 563139905 /nfs/dbraw/zinc/13/99/05/563139905.db2.gz ZXVPQQUYVOHTBO-UHFFFAOYSA-N 0 0 451.910 7.066 1 0 JKAFRN COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404476 563139910 /nfs/dbraw/zinc/13/99/10/563139910.db2.gz GJETYJGJTUFSQG-HHHXNRCGSA-N 0 0 482.559 5.797 1 0 JKAFRN O=C(c1cncc2ccccc21)N(CCc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2 ZINC000040405521 563140031 /nfs/dbraw/zinc/14/00/31/563140031.db2.gz DEVBBISJUZSUQK-UHFFFAOYSA-N 0 0 450.966 5.259 1 0 JKAFRN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000040406238 563140121 /nfs/dbraw/zinc/14/01/21/563140121.db2.gz ADJIIHSTLRSGCS-MUUNZHRXSA-N 0 0 484.437 6.919 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040406581 563140196 /nfs/dbraw/zinc/14/01/96/563140196.db2.gz GEZHTECETAHKRO-DEOSSOPVSA-N 0 0 494.894 6.644 1 0 JKAFRN Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1 ZINC000040407421 563140291 /nfs/dbraw/zinc/14/02/91/563140291.db2.gz FIBVJAHFMJFMLB-RBBKRZOGSA-N 0 0 493.854 5.836 1 0 JKAFRN Fc1cccc(COc2ccc(Nc3ncnc4cc(-c5ccco5)sc43)cc2Cl)c1 ZINC000040410139 563140605 /nfs/dbraw/zinc/14/06/05/563140605.db2.gz SSYMKGVXLKENJR-UHFFFAOYSA-N 0 0 451.910 7.066 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccc(Br)cc2)cc1-c1ccccc1 ZINC000040411032 563140688 /nfs/dbraw/zinc/14/06/88/563140688.db2.gz MLGATVPULLOMLB-UHFFFAOYSA-N 0 0 476.374 5.760 1 0 JKAFRN CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c(N)c2)nc2c(Cl)cc(Cl)cn12 ZINC000040412755 563140955 /nfs/dbraw/zinc/14/09/55/563140955.db2.gz OEJBGIXBKZZTIO-UHFFFAOYSA-N 0 0 453.801 5.735 1 0 JKAFRN CCCCCCc1cccc2c1[nH]c(-c1ccc(OC)cc1)c2C1=C(Br)C(=O)NC1=O ZINC000040412113 563140988 /nfs/dbraw/zinc/14/09/88/563140988.db2.gz FRRXFCWMCDINSS-UHFFFAOYSA-N 0 0 481.390 5.729 1 0 JKAFRN Clc1ccc2sc(CN3CCN(c4ncnc5c4CN(Cc4ccccc4)CC5)CC3)cc2c1 ZINC000040412390 563140996 /nfs/dbraw/zinc/14/09/96/563140996.db2.gz RNCURSXJESLWEQ-UHFFFAOYSA-N 0 0 490.076 5.225 1 0 JKAFRN CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000040413319 563141058 /nfs/dbraw/zinc/14/10/58/563141058.db2.gz SCUPHOKPNXPNLB-VWLOTQADSA-N 0 0 487.600 5.102 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cc(OC)ccc1OC ZINC000040412956 563141082 /nfs/dbraw/zinc/14/10/82/563141082.db2.gz UJBUFRAPYKPGDO-DEOSSOPVSA-N 0 0 460.618 6.413 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cc(OC)ccc1OC ZINC000040412959 563141102 /nfs/dbraw/zinc/14/11/02/563141102.db2.gz UJBUFRAPYKPGDO-XMMPIXPASA-N 0 0 460.618 6.413 1 0 JKAFRN CC1=C(C(=O)Nc2ccc3n[nH]cc3c2)[C@@H](c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1 ZINC000040414299 563141288 /nfs/dbraw/zinc/14/12/88/563141288.db2.gz UYYWLFZGFMIWIW-JOCHJYFZSA-N 0 0 495.345 5.408 1 0 JKAFRN COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@@H](C)c2ccccc2)c1 ZINC000040420733 563141421 /nfs/dbraw/zinc/14/14/21/563141421.db2.gz WXFZPNQLVUNFGP-SFHVURJKSA-N 0 0 462.594 6.293 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(OC)ccc1Cl ZINC000040420983 563141483 /nfs/dbraw/zinc/14/14/83/563141483.db2.gz MYBYEJZMCZJKTH-OAQYLSRUSA-N 0 0 451.010 7.034 1 0 JKAFRN CCc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040421463 563141532 /nfs/dbraw/zinc/14/15/32/563141532.db2.gz BHZGXFWFPHVSCI-UHFFFAOYSA-N 0 0 475.807 7.409 1 0 JKAFRN C[C@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040421318 563141553 /nfs/dbraw/zinc/14/15/53/563141553.db2.gz RWHTWAJJGLPJEO-NTKDMRAZSA-N 0 0 492.639 6.064 1 0 JKAFRN Nc1ccccc1NC(=O)/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2Cc1ccccn1 ZINC000040422138 563141800 /nfs/dbraw/zinc/14/18/00/563141800.db2.gz KQTPKKGWZCMLER-OBGWFSINSA-N 0 0 473.580 5.499 1 0 JKAFRN COc1cc(Cl)c(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1 ZINC000040422408 563141877 /nfs/dbraw/zinc/14/18/77/563141877.db2.gz OTRALRLFRVAHFE-UHFFFAOYSA-N 0 0 493.829 5.368 1 0 JKAFRN O=C(NC1CCCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CC1 ZINC000040422331 563141893 /nfs/dbraw/zinc/14/18/93/563141893.db2.gz RGVBFBQWHQZVFW-XMMPIXPASA-N 0 0 460.449 6.133 1 0 JKAFRN COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)CC2 ZINC000040422793 563141957 /nfs/dbraw/zinc/14/19/57/563141957.db2.gz WJWAVTWCDWTTCP-HSZRJFAPSA-N 0 0 498.406 5.637 1 0 JKAFRN C=Cc1c(-c2nnc(C(C)(C)C)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040422850 563142046 /nfs/dbraw/zinc/14/20/46/563142046.db2.gz KLNQKGLEGKIFKO-UHFFFAOYSA-N 0 0 473.791 7.490 1 0 JKAFRN O=C1OC2(CCC(c3nc4ccc(-c5noc(C(F)(F)F)n5)cc4[nH]3)CC2)c2ccccc21 ZINC000040422923 563142060 /nfs/dbraw/zinc/14/20/60/563142060.db2.gz FHCADCMGOCLSAT-UHFFFAOYSA-N 0 0 454.408 5.355 1 0 JKAFRN CS(=O)(=O)N1CC2(CCC(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 ZINC000040423261 563142255 /nfs/dbraw/zinc/14/22/55/563142255.db2.gz TVIMSZUYSVNLTK-UHFFFAOYSA-N 0 0 460.599 5.200 1 0 JKAFRN CC(C)=CCC/C(C)=C/Cc1c2cc(O)cc(O)c2c(O)c2c1C[C@](C)(OC(C)=O)CC2=O ZINC000040423487 563142373 /nfs/dbraw/zinc/14/23/73/563142373.db2.gz BPWWFDMOVMUTSS-GPLAWQGUSA-N 0 0 452.547 5.643 1 0 JKAFRN CC(C)=CCC/C(C)=C/Cc1c2cc(O)cc(O)c2c(O)c2c1C[C@@](C)(OC(C)=O)CC2=O ZINC000040423486 563142390 /nfs/dbraw/zinc/14/23/90/563142390.db2.gz BPWWFDMOVMUTSS-FFFSVGICSA-N 0 0 452.547 5.643 1 0 JKAFRN COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(=O)c5ccccc5)c4)n3n2)cc(OC)c1OC ZINC000040423622 563142414 /nfs/dbraw/zinc/14/24/14/563142414.db2.gz WCWSPMSEMFFBKI-UHFFFAOYSA-N 0 0 495.539 5.100 1 0 JKAFRN CCn1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)nc1C ZINC000040424228 563142722 /nfs/dbraw/zinc/14/27/22/563142722.db2.gz UMOZMQNTVMNEMK-UHFFFAOYSA-N 0 0 456.638 5.374 1 0 JKAFRN C=C/C=C(\C)C(=O)Nc1cccc(OCCCn2cc(-c3ccc(Cl)c(Cl)c3)c(N)nc2=O)c1 ZINC000040424508 563142824 /nfs/dbraw/zinc/14/28/24/563142824.db2.gz ISDWHPIYCDBPBG-OMCISZLKSA-N 0 0 499.398 5.339 1 0 JKAFRN COCCOc1cc2c(cc1OC(N)=O)[C@H]1CC[C@@]3(C)[C@@H](CC[C@@]34CCC(C)(C)C(=O)O4)[C@@H]1CC2 ZINC000040424768 563142988 /nfs/dbraw/zinc/14/29/88/563142988.db2.gz MSJRJLMALIAVGV-ROJWSESWSA-N 0 0 485.621 5.127 1 0 in-vivo JKAFRN c1c[nH]c(-c2ccc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)cc2-c2ccccc2)c1 ZINC000040429882 563143431 /nfs/dbraw/zinc/14/34/31/563143431.db2.gz PSTDEPRPVKJADX-UHFFFAOYSA-N 0 0 480.615 7.873 1 0 JKAFRN COc1oc(=O)c2cc(NC(=O)N(CCc3ccccc3)Cc3ccccc3)ccc2c1Cl ZINC000040465821 563144211 /nfs/dbraw/zinc/14/42/11/563144211.db2.gz TZGAYMXOVLXEDG-UHFFFAOYSA-N 0 0 462.933 5.732 1 0 JKAFRN CC(=O)[C@@]12O[C@](C)(c3ccc(F)cc3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040465891 563144239 /nfs/dbraw/zinc/14/42/39/563144239.db2.gz WHTJHHOTBPTECP-YWXQMGQQSA-N 0 0 466.593 5.883 1 0 JKAFRN CCCCc1nc2ccc([C@@H](O)CC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000040466646 563144274 /nfs/dbraw/zinc/14/42/74/563144274.db2.gz BHQMUEBJYGJHHU-SANMLTNESA-N 0 0 494.599 5.078 1 0 JKAFRN O=S(=O)(Nc1cccc(OCc2ccc3ccccc3n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000040504870 563144810 /nfs/dbraw/zinc/14/48/10/563144810.db2.gz FTKPBJUQTFUYGR-UHFFFAOYSA-N 0 0 458.461 5.633 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538366 563145207 /nfs/dbraw/zinc/14/52/07/563145207.db2.gz KBZDSAIJDPOESJ-NGPGZXAHSA-N 0 0 481.721 6.379 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]4(C)C3=CC[C@]12C ZINC000040538368 563145222 /nfs/dbraw/zinc/14/52/22/563145222.db2.gz KBZDSAIJDPOESJ-CBLHOBGLSA-N 0 0 481.721 6.379 1 0 JKAFRN Cc1cccc(Nc2cc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)no2)c1C ZINC000040563905 563145289 /nfs/dbraw/zinc/14/52/89/563145289.db2.gz QVUUKPTWDPKWFH-UHFFFAOYSA-N 0 0 471.567 7.636 1 0 JKAFRN Cc1ccc(-c2nn(CCCCCCCn3ncc4ccccc4c3=O)c(=O)c3ccccc32)cc1 ZINC000040564090 563145306 /nfs/dbraw/zinc/14/53/06/563145306.db2.gz NJVNHQHTYVWQTJ-UHFFFAOYSA-N 0 0 478.596 5.733 1 0 JKAFRN COC(=O)c1ccccc1N1C(=O)O[C@H](COC(=O)C2CCCCC2)[C@H]1CCCc1ccccc1 ZINC000040566850 563145868 /nfs/dbraw/zinc/14/58/68/563145868.db2.gz MVDVQKLSGURENM-JWQCQUIFSA-N 0 0 479.573 5.313 1 0 JKAFRN COC(=O)CCCNC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040567414 563146099 /nfs/dbraw/zinc/14/60/99/563146099.db2.gz VLBGRDMBLWGTSE-VINHKQSESA-N 0 0 487.681 5.203 1 0 JKAFRN COC(=O)CCCNC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040567412 563146138 /nfs/dbraw/zinc/14/61/38/563146138.db2.gz VLBGRDMBLWGTSE-CERODROVSA-N 0 0 487.681 5.203 1 0 JKAFRN COc1ccc(CCO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1OC ZINC000040575565 563146354 /nfs/dbraw/zinc/14/63/54/563146354.db2.gz MBAQRMFEGFSNMG-HKBQPEDESA-N 0 0 479.576 5.820 1 0 JKAFRN CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc(OC)c1 ZINC000040576463 563146533 /nfs/dbraw/zinc/14/65/33/563146533.db2.gz ZSKNJEBNBSYBRI-UHFFFAOYSA-N 0 0 475.632 7.588 1 0 JKAFRN C[C@@]1(O)CC[C@H]2[C@@H]1CC=C(CO)[C@@H](CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)O[C@@H]3CC[C@]1(C)O)C2(C)C ZINC000040587706 563146768 /nfs/dbraw/zinc/14/67/68/563146768.db2.gz PGXVRJUUHWTBMQ-IFYRGQQWSA-N 0 0 490.725 5.203 1 0 JKAFRN C[C@@]1(O)CC[C@H]2[C@H]1CC=C(CO)[C@@H](CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)O[C@@H]3CC[C@]1(C)O)C2(C)C ZINC000040587704 563146769 /nfs/dbraw/zinc/14/67/69/563146769.db2.gz PGXVRJUUHWTBMQ-AWFNXHNRSA-N 0 0 490.725 5.203 1 0 JKAFRN CC(=O)[C@@]12O[C@](C)(c3ccc(N)cc3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040620032 563146964 /nfs/dbraw/zinc/14/69/64/563146964.db2.gz DCGUGTTXJYZYDT-YWXQMGQQSA-N 0 0 463.618 5.327 1 0 JKAFRN O=S(=O)(c1ccc(Cl)cc1Cl)N1CCCCC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000040763320 563147967 /nfs/dbraw/zinc/14/79/67/563147967.db2.gz UWRSFIXITXHHDP-UHFFFAOYSA-N 0 0 452.190 5.879 1 0 JKAFRN COC(=O)[C@H](CCc1ccccc1)N1C(=O)[C@@H](C)S[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000040720282 563147571 /nfs/dbraw/zinc/14/75/71/563147571.db2.gz UZQQQMZGNXCCMP-VAQLEPBLSA-N 0 0 496.028 6.269 1 0 JKAFRN COC[C@H](C)Nc1nccc(N(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccc(F)cc2)n1 ZINC000040763258 563147978 /nfs/dbraw/zinc/14/79/78/563147978.db2.gz XCXLTPGCACJWPS-AWEZNQCLSA-N 0 0 463.435 5.452 1 0 JKAFRN COc1cc(C(=O)c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc(OC)c1OC ZINC000040763348 563148085 /nfs/dbraw/zinc/14/80/85/563148085.db2.gz MKGCXFNWZYRJLP-UHFFFAOYSA-N 0 0 471.509 5.114 1 0 JKAFRN O=C1NC(=O)c2c1c1c3cc(O)ccc3n(CCCNc3ccccc3)c1cc2-c1ccccc1 ZINC000040835385 563148928 /nfs/dbraw/zinc/14/89/28/563148928.db2.gz IITXSCOJPQUGAM-UHFFFAOYSA-N 0 0 461.521 5.553 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cccn(Cc2ccc(F)cc2)c1=O ZINC000040835476 563149007 /nfs/dbraw/zinc/14/90/07/563149007.db2.gz DIDIVIXODOFLFJ-UHFFFAOYSA-N 0 0 472.451 5.096 1 0 JKAFRN CCCOc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040835586 563149028 /nfs/dbraw/zinc/14/90/28/563149028.db2.gz UXYBZLIDWLGDFS-DEOSSOPVSA-N 0 0 469.965 5.196 1 0 JKAFRN Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2nnc(-c3cccc(Cl)c3)s2)cc1 ZINC000040848072 563149510 /nfs/dbraw/zinc/14/95/10/563149510.db2.gz PARIPZQYWXWGEM-BUHFOSPRSA-N 0 0 456.958 6.036 1 0 JKAFRN Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040848020 563149518 /nfs/dbraw/zinc/14/95/18/563149518.db2.gz PLTKXDGDWAWNKT-AREMUKBSSA-N 0 0 470.523 5.927 1 0 JKAFRN CC(C)=CCc1ccc(-c2oc3c4c(c5c(c3c(=O)c2O)OC(C)(C)CC5)OC(C)(C)CC4)cc1O ZINC000040848103 563149531 /nfs/dbraw/zinc/14/95/31/563149531.db2.gz JHDGWJWVSUFMAQ-UHFFFAOYSA-N 0 0 490.596 6.587 1 0 in-vitro JKAFRN Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000040848272 563149598 /nfs/dbraw/zinc/14/95/98/563149598.db2.gz LDPDIICABMIHHI-AREMUKBSSA-N 0 0 452.533 5.788 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O ZINC000040848819 563149686 /nfs/dbraw/zinc/14/96/86/563149686.db2.gz HIKBFBOLVSINOU-UHFFFAOYSA-N 0 0 458.424 5.241 1 0 JKAFRN C[C@@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)[C@@H]1CC[C@H](C)C(=O)O1 ZINC000040849114 563149798 /nfs/dbraw/zinc/14/97/98/563149798.db2.gz RAVLYMWHELNCTR-QWUYLKCSSA-N 0 0 456.711 7.074 1 0 JKAFRN CCCOc1cc(-c2ccc(CCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040860889 563150002 /nfs/dbraw/zinc/15/00/02/563150002.db2.gz NTQUZRWSFLCBAS-VWLOTQADSA-N 0 0 467.993 5.750 1 0 JKAFRN COc1cc(/C=C/c2ccc(NC(=O)[C@H](C)NP(=O)(OC(C)C)OC(C)C)cc2)cc(OC)c1 ZINC000040862122 563150232 /nfs/dbraw/zinc/15/02/32/563150232.db2.gz RPEPNUUWBHLOSJ-SGQUHAKNSA-N 0 0 490.537 5.749 1 0 JKAFRN CC(C)Oc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)[O-] ZINC000040862221 563150312 /nfs/dbraw/zinc/15/03/12/563150312.db2.gz IPWOIVBUCSDYFW-DEOSSOPVSA-N 0 0 453.966 5.358 1 0 JKAFRN CC(C)(C)c1ccc(-c2nc3c(cccc3N3CCN(Cc4cccc5[nH]c(=S)[nH]c54)CC3)[nH]2)cc1 ZINC000040863391 563150463 /nfs/dbraw/zinc/15/04/63/563150463.db2.gz LMDJCZQDFNSVLY-UHFFFAOYSA-N 0 0 496.684 6.388 1 0 JKAFRN CCCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864141 563150813 /nfs/dbraw/zinc/15/08/13/563150813.db2.gz IJWSSKLUEFXCQE-CQSZACIVSA-N 0 0 489.834 8.152 1 0 JKAFRN CCCCCC(=O)OCc1ccc2oc(=O)c(C(=O)Oc3cccc(Br)c3)cc2c1 ZINC000040865182 563150850 /nfs/dbraw/zinc/15/08/50/563150850.db2.gz AUEHDYOXXIXQHY-UHFFFAOYSA-N 0 0 473.319 5.398 1 0 JKAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccccc1SC1CCCCC1 ZINC000040865637 563150962 /nfs/dbraw/zinc/15/09/62/563150962.db2.gz SORJAOOLINKIMF-UHFFFAOYSA-N 0 0 454.039 6.545 1 0 JKAFRN O=C1NCc2c3c4ccccc4n(CCO)c3c3c(c21)-c1ccc(OC2CCCCC2)cc1CC3 ZINC000040865943 563151052 /nfs/dbraw/zinc/15/10/52/563151052.db2.gz GVIYLLBTXBQKKC-UHFFFAOYSA-N 0 0 466.581 5.507 1 0 JKAFRN OCCCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040872314 563151398 /nfs/dbraw/zinc/15/13/98/563151398.db2.gz QFWHKEBFAWECDE-UHFFFAOYSA-N 0 0 492.423 6.398 1 0 JKAFRN CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Br)cc2)c2ccccc2Cl)CC1 ZINC000040872722 563151522 /nfs/dbraw/zinc/15/15/22/563151522.db2.gz QGDJXRXKUHTDSO-FQEVSTJZSA-N 0 0 464.835 5.318 1 0 JKAFRN C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC000040874522 563151944 /nfs/dbraw/zinc/15/19/44/563151944.db2.gz MMCBQBIKKGGPPY-HNNXBMFYSA-N 0 0 487.339 5.466 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)O[C@H]1C[C@H]3CC[C@]1(C)C3(C)C)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040874440 563151979 /nfs/dbraw/zinc/15/19/79/563151979.db2.gz YEGSYHNTNPSTNB-MDPPOICFSA-N 0 0 494.716 8.107 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1 ZINC000040875023 563152130 /nfs/dbraw/zinc/15/21/30/563152130.db2.gz CDJIACMAFABHNO-UHFFFAOYSA-N 0 0 465.340 6.746 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)O[C@@]1(C(C)C)CC=C(C)CC1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040875377 563152217 /nfs/dbraw/zinc/15/22/17/563152217.db2.gz GPDTXUUTEQEBIO-VJQVOXFUSA-N 0 0 494.716 8.418 1 0 JKAFRN CC(=O)c1cccc(NC(=O)Nc2ccc3nc(C)cc(NC(=O)c4ccccc4Cl)c3c2)c1 ZINC000040876241 563152355 /nfs/dbraw/zinc/15/23/55/563152355.db2.gz LKHJNGPAQXHRHA-UHFFFAOYSA-N 0 0 472.932 6.296 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc2n1 ZINC000040876572 563152368 /nfs/dbraw/zinc/15/23/68/563152368.db2.gz WEQZLTDUJXEKCG-UHFFFAOYSA-N 0 0 464.447 6.458 1 0 JKAFRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1 ZINC000040876214 563152423 /nfs/dbraw/zinc/15/24/23/563152423.db2.gz MMCBQBIKKGGPPY-OAHLLOKOSA-N 0 0 487.339 5.466 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2Cl)c2cc(NC(=O)Nc3ccc(F)c(Cl)c3)ccc2n1 ZINC000040879464 563152781 /nfs/dbraw/zinc/15/27/81/563152781.db2.gz NJFOLHFLAYZLFO-UHFFFAOYSA-N 0 0 483.330 6.885 1 0 JKAFRN COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(Br)cc4)cc32)cc1OC ZINC000040880810 563152911 /nfs/dbraw/zinc/15/29/11/563152911.db2.gz KWEPSZMYSKNFBB-UHFFFAOYSA-N 0 0 494.349 5.797 1 0 JKAFRN C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1 ZINC000040881122 563152936 /nfs/dbraw/zinc/15/29/36/563152936.db2.gz GJJHQTVVCTWQDA-HNNXBMFYSA-N 0 0 487.339 5.466 1 0 JKAFRN O=C(NCC1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)CC1 ZINC000040881220 563153029 /nfs/dbraw/zinc/15/30/29/563153029.db2.gz WYJKUPYMQJTADT-DEOSSOPVSA-N 0 0 494.001 6.356 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2n1 ZINC000040892174 563153270 /nfs/dbraw/zinc/15/32/70/563153270.db2.gz JOFFIBXYDAFMIV-UHFFFAOYSA-N 0 0 465.340 6.746 1 0 JKAFRN CC(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000040892477 563153384 /nfs/dbraw/zinc/15/33/84/563153384.db2.gz ZNGMGMSYGRQIGJ-UHFFFAOYSA-N 0 0 465.428 7.783 1 0 JKAFRN CCOP(=O)(CNCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCC ZINC000040892902 563153432 /nfs/dbraw/zinc/15/34/32/563153432.db2.gz SDFJPCASBWGULI-UHFFFAOYSA-N 0 0 473.535 5.563 1 0 JKAFRN COc1ccc(C(=O)CSc2nc(Cc3c(F)cccc3Cl)c(C(C)C)c(=O)[nH]2)cc1 ZINC000040895193 563153784 /nfs/dbraw/zinc/15/37/84/563153784.db2.gz BOSJDFCFMFLKDH-UHFFFAOYSA-N 0 0 460.958 5.260 1 0 JKAFRN CCCC(=O)c1c(O)c(Cc2c(OC)c(C)c(O)c(C(C)=O)c2OC)c(OC)c2c1OC(C)(C)C=C2 ZINC000040895829 563153945 /nfs/dbraw/zinc/15/39/45/563153945.db2.gz FUTKVQLHGJNGLI-UHFFFAOYSA-N 0 0 498.572 5.392 1 0 JKAFRN O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000040898858 563154324 /nfs/dbraw/zinc/15/43/24/563154324.db2.gz XUOCMKDBZQTIBX-UHFFFAOYSA-N 0 0 474.446 5.208 1 0 JKAFRN COc1ccccc1[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898778 563154337 /nfs/dbraw/zinc/15/43/37/563154337.db2.gz LCNVZXMJDOGQHW-WYFZSJNCSA-N 0 0 497.595 5.220 1 0 JKAFRN CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(C(F)(F)F)cc1Cl ZINC000040900962 563154726 /nfs/dbraw/zinc/15/47/26/563154726.db2.gz MHXWKBQZKBYQFQ-GOSISDBHSA-N 0 0 474.310 5.667 1 0 JKAFRN Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccccc1Cl ZINC000040913386 563154936 /nfs/dbraw/zinc/15/49/36/563154936.db2.gz VLFNQZMEZRAGHC-UHFFFAOYSA-N 0 0 479.392 6.868 1 0 JKAFRN Fc1cccc(COc2ccc(Nc3ncnc4cc(-c5ccc[nH]5)sc43)cc2Cl)c1 ZINC000040913833 563155030 /nfs/dbraw/zinc/15/50/30/563155030.db2.gz WVBOSBMDZYIKPK-UHFFFAOYSA-N 0 0 450.926 6.802 1 0 JKAFRN O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(C3CC3)s2)c1)c1cccc(C(F)(F)F)c1 ZINC000040914358 563155202 /nfs/dbraw/zinc/15/52/02/563155202.db2.gz SDKYEKHDYRDABP-UHFFFAOYSA-N 0 0 465.884 6.197 1 0 JKAFRN O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 ZINC000040914302 563155206 /nfs/dbraw/zinc/15/52/06/563155206.db2.gz RGGOUWLUTABFEZ-UHFFFAOYSA-N 0 0 482.798 6.698 1 0 JKAFRN CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c2cc(OC)cc3C(F)(F)F)on1 ZINC000040914294 563155220 /nfs/dbraw/zinc/15/52/20/563155220.db2.gz QFZIKDPESSDMHT-UHFFFAOYSA-N 0 0 464.318 5.025 1 0 JKAFRN O=C(CCc1ccccc1)N1CCC[C@H]1C(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000040914352 563155226 /nfs/dbraw/zinc/15/52/26/563155226.db2.gz BYOAEQQJNDGABG-LJAQVGFWSA-N 0 0 495.623 5.029 1 0 JKAFRN O=C(c1ccc(Cl)c(Cl)c1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1=S ZINC000040914840 563155365 /nfs/dbraw/zinc/15/53/65/563155365.db2.gz IXNJFYLERAUSLL-UHFFFAOYSA-N 0 0 462.185 5.573 1 0 JKAFRN CC(C)(C)NC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000040914962 563155375 /nfs/dbraw/zinc/15/53/75/563155375.db2.gz NXPWZFZLLPAIPA-FQEVSTJZSA-N 0 0 454.829 5.862 1 0 JKAFRN CNc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1 ZINC000040915914 563155557 /nfs/dbraw/zinc/15/55/57/563155557.db2.gz BWZVEDBBEOJBAG-SOFGYWHQSA-N 0 0 490.469 5.789 1 0 JKAFRN Cc1cc(C(F)(F)F)cc(C)c1NC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000040916874 563155681 /nfs/dbraw/zinc/15/56/81/563155681.db2.gz QUODBAMVWAHQGL-LJQANCHMSA-N 0 0 467.919 5.631 1 0 JKAFRN CCCCCCOc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 ZINC000040917644 563155959 /nfs/dbraw/zinc/15/59/59/563155959.db2.gz JYOHYVQXHURKAQ-UHFFFAOYSA-N 0 0 467.363 5.556 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918269 563156157 /nfs/dbraw/zinc/15/61/57/563156157.db2.gz MDEAKINSCUXXNF-UHFFFAOYSA-N 0 0 468.601 5.439 1 0 JKAFRN Cc1c(C)c(=O)oc2cc(OCCCOc3cc(O)cc(N(C)Cc4ccccc4)c3)ccc12 ZINC000040918238 563156166 /nfs/dbraw/zinc/15/61/66/563156166.db2.gz MMUHJEWWEJJHLW-UHFFFAOYSA-N 0 0 459.542 5.600 1 0 JKAFRN CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCCC3=Cc1ccc(Cl)cc1 ZINC000040918294 563156248 /nfs/dbraw/zinc/15/62/48/563156248.db2.gz DEGDDCBSEIZPHN-SSZFMOIBSA-N 0 0 480.420 6.891 1 0 JKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccn1)[C@H]2c1ccccc1 ZINC000040919241 563156661 /nfs/dbraw/zinc/15/66/61/563156661.db2.gz JJYMDGAAHPIJQC-QFIPXVFZSA-N 0 0 480.490 5.503 1 0 JKAFRN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)C(=O)N(c1ccccn1)[C@@H]2c1ccccc1 ZINC000040933267 563156831 /nfs/dbraw/zinc/15/68/31/563156831.db2.gz JJYMDGAAHPIJQC-JOCHJYFZSA-N 0 0 480.490 5.503 1 0 JKAFRN CCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040934304 563157347 /nfs/dbraw/zinc/15/73/47/563157347.db2.gz QMQHXZJGAUXZOX-ZDUSSCGKSA-N 0 0 475.807 7.762 1 0 JKAFRN Cc1c(-c2nnc(C3CCCC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040934730 563157554 /nfs/dbraw/zinc/15/75/54/563157554.db2.gz VSVNWIQQUIWLST-UHFFFAOYSA-N 0 0 489.859 7.984 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(C(F)(F)F)ccc1CO ZINC000040934620 563157556 /nfs/dbraw/zinc/15/75/56/563157556.db2.gz QAVMYAXPFYKWRF-OAQYLSRUSA-N 0 0 484.562 6.883 1 0 JKAFRN CCOC(=O)CCc1c(/C=C/c2ccc(OC)c(OC)c2)n[nH]c1/C=C/c1ccc(OC)c(OC)c1 ZINC000040936235 563157888 /nfs/dbraw/zinc/15/78/88/563157888.db2.gz CZTBZJGRXZZPCF-INOXDZRUSA-N 0 0 492.572 5.281 1 0 JKAFRN Cc1cc(C2=N[C@@H](c3ccc(Cl)cc3F)C(C(=O)Nc3cc4c[nH]nc4cc3F)=C(C)N2)ccn1 ZINC000040936815 563158096 /nfs/dbraw/zinc/15/80/96/563158096.db2.gz JPOJPLNOODEZLH-QHCPKHFHSA-N 0 0 492.917 5.202 1 0 JKAFRN Cc1c(C(=O)NC(=O)NC(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040938118 563158446 /nfs/dbraw/zinc/15/84/46/563158446.db2.gz NTYBEEOJKCSIQW-UHFFFAOYSA-N 0 0 479.795 6.046 1 0 JKAFRN CCCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040938738 563158596 /nfs/dbraw/zinc/15/85/96/563158596.db2.gz PDAVEYZQVGGLQV-QLWXXVCSSA-N 0 0 474.604 6.539 1 0 JKAFRN Cc1c(-c2nnc(C3CCCCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040938835 563158624 /nfs/dbraw/zinc/15/86/24/563158624.db2.gz DUCRSGBDTMMFGC-UHFFFAOYSA-N 0 0 487.818 7.906 1 0 JKAFRN Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@H](C)c3ccccc3)[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000040939488 563158710 /nfs/dbraw/zinc/15/87/10/563158710.db2.gz KLPLLAIWTCDWIR-IANOAQMISA-N 0 0 486.615 6.065 1 0 JKAFRN COc1cc2nccc(Oc3ccc(Br)cc3C(=O)c3ccccc3)c2cc1OC ZINC000040939872 563158778 /nfs/dbraw/zinc/15/87/78/563158778.db2.gz PDBFHEVTKUUIMI-UHFFFAOYSA-N 0 0 464.315 6.038 1 0 JKAFRN Clc1ccc(OCc2nn3c(COc4ccc(-c5ccccc5)cc4)nnc3s2)c(Cl)c1 ZINC000040943739 563159155 /nfs/dbraw/zinc/15/91/55/563159155.db2.gz GKAQMEBXLWDJHM-UHFFFAOYSA-N 0 0 483.380 6.318 1 0 JKAFRN CSc1ccc(Cc2nnc3sc(-c4ccc(-c5ccc(Br)cc5)o4)nn23)cc1 ZINC000040949665 563159207 /nfs/dbraw/zinc/15/92/07/563159207.db2.gz IMXUSFPIVQXUNS-UHFFFAOYSA-N 0 0 483.416 6.188 1 0 JKAFRN COc1cc2c(cc1OC)[C@H](Cc1ccc(C)c(C)c1)N(CC(=O)N[C@@H]1CCc3ccccc31)CC2 ZINC000040949849 563159209 /nfs/dbraw/zinc/15/92/09/563159209.db2.gz YGJXGLLZMWNQHE-IZLXSDGUSA-N 0 0 484.640 5.266 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](Cc1ccc(Cl)c(Cl)c1)N(CC(=O)NCc1ccccc1)CC2 ZINC000040950593 563159503 /nfs/dbraw/zinc/15/95/03/563159503.db2.gz FIPKTJXYARUTNO-XMMPIXPASA-N 0 0 499.438 5.469 1 0 JKAFRN O=C(Nc1cnc(Cl)nc1)c1c2onc(Nc3cccc(C(F)(F)F)c3)c2ccc1Cl ZINC000040952132 563159816 /nfs/dbraw/zinc/15/98/16/563159816.db2.gz AMTNQPFTJJDLTI-UHFFFAOYSA-N 0 0 468.222 5.939 1 0 JKAFRN C[C@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)Nc1nc2ccccc2o1 ZINC000040952443 563159948 /nfs/dbraw/zinc/15/99/48/563159948.db2.gz HIPOGZUVGXCTDI-NTKDMRAZSA-N 0 0 492.639 6.020 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2cccc(-c3ccccc3)c2)cc1-c1ccccc1 ZINC000040953382 563160283 /nfs/dbraw/zinc/16/02/83/563160283.db2.gz PJIYYVAXRYLDQZ-UHFFFAOYSA-N 0 0 473.576 6.664 1 0 JKAFRN Nc1cccc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc12 ZINC000040955009 563160634 /nfs/dbraw/zinc/16/06/34/563160634.db2.gz SLJBFRDGNGUTPR-UHFFFAOYSA-N 0 0 457.839 6.534 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2cccc(C(C)(C)C)c2)cc1-c1ccccc1 ZINC000040954997 563160642 /nfs/dbraw/zinc/16/06/42/563160642.db2.gz WSEUBPZBWFKSIB-UHFFFAOYSA-N 0 0 453.586 6.295 1 0 JKAFRN CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2ccccc2)nc(NCc2ccccc2)n1 ZINC000040955864 563160871 /nfs/dbraw/zinc/16/08/71/563160871.db2.gz SRQVTLSTOCQWKW-UHFFFAOYSA-N 0 0 460.622 6.271 1 0 JKAFRN CCCn1c(C)c(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)nc1CC ZINC000040956036 563160878 /nfs/dbraw/zinc/16/08/78/563160878.db2.gz PZFYXPMBXBOOFR-UHFFFAOYSA-N 0 0 498.719 6.327 1 0 JKAFRN CCc1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)cn1CC ZINC000040956937 563161006 /nfs/dbraw/zinc/16/10/06/563161006.db2.gz PNJCRMDEBZXVND-UHFFFAOYSA-N 0 0 470.665 5.628 1 0 JKAFRN Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040956855 563161030 /nfs/dbraw/zinc/16/10/30/563161030.db2.gz CWBRFZKYJPYGAK-UHFFFAOYSA-N 0 0 497.039 5.013 1 0 JKAFRN CC(C)CNc1nc(/C=C/c2ccccc2)cc(N(Cc2ccccc2)C(=O)OC(C)(C)C)n1 ZINC000040957380 563161111 /nfs/dbraw/zinc/16/11/11/563161111.db2.gz XKXCZLUAYTZPJR-WUKNDPDISA-N 0 0 458.606 6.657 1 0 JKAFRN O=S(=O)(Cc1ccc(Cl)cc1)N1CCC2(CC1)C[C@@H](c1ccccc1)c1ccccc1O2 ZINC000040972507 563161312 /nfs/dbraw/zinc/16/13/12/563161312.db2.gz RYIVBMOXQBHRDY-DEOSSOPVSA-N 0 0 468.018 5.619 1 0 JKAFRN Fc1ccc(-c2noc(CCCNc3ccc4ncc(OC(F)(F)F)cc4c3)n2)c(Cl)c1 ZINC000040972909 563161372 /nfs/dbraw/zinc/16/13/72/563161372.db2.gz HBTYATWGNXKNSB-UHFFFAOYSA-N 0 0 466.822 6.021 1 0 JKAFRN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c32)cc1Cl ZINC000040972836 563161428 /nfs/dbraw/zinc/16/14/28/563161428.db2.gz HWOCQPODGWBHEB-UHFFFAOYSA-N 0 0 498.248 6.013 1 0 JKAFRN CCN(c1nc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2[nH]1)C1CCCCC1 ZINC000040973552 563161567 /nfs/dbraw/zinc/16/15/67/563161567.db2.gz PWFJIBPQJQUEFB-UHFFFAOYSA-N 0 0 458.528 6.312 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Br)ccc21 ZINC000040973921 563161657 /nfs/dbraw/zinc/16/16/57/563161657.db2.gz LXZCMVGUABCQHB-UHFFFAOYSA-N 0 0 471.439 5.653 1 0 JKAFRN Clc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3c2ncnc3NC2CCCCC2)cc1 ZINC000040974265 563161758 /nfs/dbraw/zinc/16/17/58/563161758.db2.gz ICLCHVCUUGMJML-UHFFFAOYSA-N 0 0 472.807 7.187 1 0 JKAFRN CCn1cc(-c2ccnc3[nH]ccc32)c(-c2cccc(NC(=O)Nc3ccccc3Cl)c2)n1 ZINC000040976504 563162130 /nfs/dbraw/zinc/16/21/30/563162130.db2.gz HNLAXQKKRHHHCK-UHFFFAOYSA-N 0 0 456.937 6.411 1 0 JKAFRN Cc1c(C2=NC(=O)C(C)(C)N2C2CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040977443 563162228 /nfs/dbraw/zinc/16/22/28/563162228.db2.gz LLHAQAXODCGVTF-UHFFFAOYSA-N 0 0 487.818 6.338 1 0 JKAFRN CN1N=C(c2ccc(Br)cc2)[C@@H](n2ccnc2)[C@H]1c1ccc(Br)cc1 ZINC000040977498 563162253 /nfs/dbraw/zinc/16/22/53/563162253.db2.gz WVYYNNBORRVQAK-RTBURBONSA-N 0 0 460.173 5.040 1 0 JKAFRN OCc1nc2cc(-c3ncccc3C(F)(F)F)ccc2c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000040976811 563162256 /nfs/dbraw/zinc/16/22/56/563162256.db2.gz GFCUTNCDZAGBBE-UHFFFAOYSA-N 0 0 464.369 5.965 1 0 JKAFRN C[C@@H]1CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6C(C)(C)[C@@H](O)CC[C@]56C)[C@]4(C)C[C@@H]2O)[C@@H]3[C@H]1C ZINC000042876538 563163046 /nfs/dbraw/zinc/16/30/46/563163046.db2.gz SSIXAKOWCQEHBT-AKOLCUPLSA-N 0 0 456.711 5.984 1 0 JKAFRN O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CCCO2)CC1 ZINC000042878199 563163210 /nfs/dbraw/zinc/16/32/10/563163210.db2.gz XWVMLKKVRJEPAU-UHFFFAOYSA-N 0 0 454.035 6.731 1 0 JKAFRN C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)[C@@H]1C[C@H]1C ZINC000042890269 563163501 /nfs/dbraw/zinc/16/35/01/563163501.db2.gz DJTPDRQBXVXHCC-PKLUILQISA-N 0 0 458.683 5.044 1 0 JKAFRN CC(=O)c1ccc(-n2c(=O)c3ccccc3nc2-c2sc(Nc3ccc(Cl)cc3)nc2C)cc1 ZINC000042921817 563163608 /nfs/dbraw/zinc/16/36/08/563163608.db2.gz ZFRITRVMQOPPJZ-UHFFFAOYSA-N 0 0 486.984 6.417 1 0 JKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1ccccc1I ZINC000042922384 563163725 /nfs/dbraw/zinc/16/37/25/563163725.db2.gz KWKOTMUMWYHXIT-HZJYTTRNSA-N 0 0 495.489 7.721 1 0 JKAFRN FC(F)(F)c1cc(Nc2nc(C(Cl)(Cl)Cl)nc3ccccc32)cc(C(F)(F)F)c1 ZINC000043009459 563164029 /nfs/dbraw/zinc/16/40/29/563164029.db2.gz YITGTJOPLXZUIL-UHFFFAOYSA-N 0 0 474.619 7.238 1 0 JKAFRN O=C(c1cc2ccccc2o1)N1CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1 ZINC000043012993 563164263 /nfs/dbraw/zinc/16/42/63/563164263.db2.gz WOBHOXNLMSPQHX-HSZRJFAPSA-N 0 0 492.497 5.548 1 0 JKAFRN COc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)CC1 ZINC000043014879 563164412 /nfs/dbraw/zinc/16/44/12/563164412.db2.gz VNQCAXFCIDUDLF-UHFFFAOYSA-N 0 0 492.019 5.227 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCC3)c1 ZINC000043015635 563164522 /nfs/dbraw/zinc/16/45/22/563164522.db2.gz ZBIPNXHCIBNIDS-AJTFRIOCSA-N 0 0 486.660 5.528 1 0 JKAFRN Clc1ccc(C[C@H](CNc2cc(NC3CCCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043018882 563164807 /nfs/dbraw/zinc/16/48/07/563164807.db2.gz UZZFHDXEQFGPAN-HXUWFJFHSA-N 0 0 499.884 7.076 1 0 JKAFRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3cc(Cl)ccc3o2)cc1 ZINC000043019868 563164900 /nfs/dbraw/zinc/16/49/00/563164900.db2.gz YMIDXJULAABDAH-QFIPXVFZSA-N 0 0 477.973 5.960 1 0 JKAFRN CCc1c(C(=O)NN2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1 ZINC000043019292 563164919 /nfs/dbraw/zinc/16/49/19/563164919.db2.gz RUNVBMBQAGGAGI-UHFFFAOYSA-N 0 0 469.416 6.027 1 0 JKAFRN CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1 ZINC000043021606 563165041 /nfs/dbraw/zinc/16/50/41/563165041.db2.gz RKROYLFBZQHAOQ-UHFFFAOYSA-N 0 0 483.443 6.417 1 0 JKAFRN CC(=O)N(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1 ZINC000043022314 563165174 /nfs/dbraw/zinc/16/51/74/563165174.db2.gz AJYZGIPEBSDQDP-UHFFFAOYSA-N 0 0 466.463 5.251 1 0 JKAFRN O=C(CN(CCCNc1ccnc2cc(Cl)ccc21)C(=O)c1ccc(O)cc1O)C1CCCCC1 ZINC000043023841 563165257 /nfs/dbraw/zinc/16/52/57/563165257.db2.gz LRSSFRJXKGZQJW-UHFFFAOYSA-N 0 0 496.007 5.393 1 0 JKAFRN COc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CC2)cc1 ZINC000043024761 563165419 /nfs/dbraw/zinc/16/54/19/563165419.db2.gz IHFDPIMIBYRHLQ-UHFFFAOYSA-N 0 0 485.415 5.863 1 0 JKAFRN Fc1cc2c(nc(-c3ccc(-n4cncn4)cc3)n2Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000043025268 563165483 /nfs/dbraw/zinc/16/54/83/563165483.db2.gz QPEPDZFFSUQCRS-UHFFFAOYSA-N 0 0 455.390 5.629 1 0 JKAFRN C[C@H](O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn21 ZINC000043060563 563165727 /nfs/dbraw/zinc/16/57/27/563165727.db2.gz DQHIOOGYMMTCIA-HNNXBMFYSA-N 0 0 465.475 6.203 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1c2cc(O)cc(O)c2Nc2c(O)cc(F)cc2C1=O ZINC000043061947 563165844 /nfs/dbraw/zinc/16/58/44/563165844.db2.gz CGCYKCVCCXLWEB-ZYCAGONGSA-N 0 0 480.580 7.066 1 0 JKAFRN CCCCCCSc1cc(Cl)c(C(=O)CCN2CCN(S(=O)(=O)CC)CC2)c(Cl)c1 ZINC000043063411 563165909 /nfs/dbraw/zinc/16/59/09/563165909.db2.gz HCWMJBYRQCDHLK-UHFFFAOYSA-N 0 0 495.538 5.206 1 0 JKAFRN CCCc1cc(=O)oc2cc(-c3cccc4c3Sc3ccccc3S4)c3c(c12)OC(C)(C)C=C3 ZINC000043067342 563166053 /nfs/dbraw/zinc/16/60/53/563166053.db2.gz XGKKXALTLIXAMF-UHFFFAOYSA-N 0 0 484.642 8.213 1 0 JKAFRN COc1cccc(-c2ccc3c(c2)Nc2cc(OCc4ccncc4)c(OC)cc2NC3=O)c1 ZINC000043069684 563166254 /nfs/dbraw/zinc/16/62/54/563166254.db2.gz HUTXMUWRALKNOA-UHFFFAOYSA-N 0 0 453.498 5.654 1 0 JKAFRN Clc1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000043075556 563166594 /nfs/dbraw/zinc/16/65/94/563166594.db2.gz UGPHOMLOBZLSLF-QHCPKHFHSA-N 0 0 455.970 7.565 1 0 JKAFRN Clc1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2c2nc(-c3ccccc3)cs2)cc1 ZINC000043075559 563166611 /nfs/dbraw/zinc/16/66/11/563166611.db2.gz UGPHOMLOBZLSLF-HSZRJFAPSA-N 0 0 455.970 7.565 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1 ZINC000043077635 563166781 /nfs/dbraw/zinc/16/67/81/563166781.db2.gz ZGBMECOLLYUEEF-UHFFFAOYSA-N 0 0 487.413 5.375 1 0 JKAFRN O=C(Nc1ccc2nc(C3CC3)c(C3CC3)n2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000043078536 563166886 /nfs/dbraw/zinc/16/68/86/563166886.db2.gz AXFYSAQZJQZXEE-UHFFFAOYSA-N 0 0 461.487 7.027 1 0 JKAFRN O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(F)cc2F)ccc1OC(=O)c1ccccc1 ZINC000043078991 563166920 /nfs/dbraw/zinc/16/69/20/563166920.db2.gz NJHPHIRZGMJFFU-UHFFFAOYSA-N 0 0 463.867 6.757 1 0 JKAFRN NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3C(F)(F)F)n2)cc1 ZINC000043118602 563167180 /nfs/dbraw/zinc/16/71/80/563167180.db2.gz KJPKSLDPCYUJQQ-UHFFFAOYSA-N 0 0 451.404 5.053 1 0 JKAFRN Cc1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043118495 563167207 /nfs/dbraw/zinc/16/72/07/563167207.db2.gz QEQCGJHWBTXQDW-MDZDMXLPSA-N 0 0 473.606 5.343 1 0 JKAFRN Cc1c2ccccc2sc1CN1CCN(C(=O)Nc2ccc(Oc3cccnc3)nc2)CC1 ZINC000043120172 563167359 /nfs/dbraw/zinc/16/73/59/563167359.db2.gz CHRPVOIKTYWJEQ-UHFFFAOYSA-N 0 0 459.575 5.142 1 0 JKAFRN CCOC(=O)c1cnn2c1nccc2-c1cccc(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)c1 ZINC000043120026 563167391 /nfs/dbraw/zinc/16/73/91/563167391.db2.gz FPSRNOKVAICOEK-UHFFFAOYSA-N 0 0 483.450 5.544 1 0 JKAFRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043120500 563167462 /nfs/dbraw/zinc/16/74/62/563167462.db2.gz JZXFPEJNLNNQLB-MDZDMXLPSA-N 0 0 478.478 5.608 1 0 JKAFRN Cc1ccc(C2=NN(C(=O)CSc3nc4cc(Cl)ccc4o3)[C@H](c3ccccc3)C2)cc1C ZINC000043121680 563167619 /nfs/dbraw/zinc/16/76/19/563167619.db2.gz JFBKNYPAUDRJKB-QHCPKHFHSA-N 0 0 476.001 6.568 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCC3)c1 ZINC000043122382 563167627 /nfs/dbraw/zinc/16/76/27/563167627.db2.gz NNRUHRCMXVRSMN-HFZDXXHNSA-N 0 0 472.633 5.137 1 0 JKAFRN COc1cc2ncnc(N3CCC[C@@H](c4ccccc4)C3)c2cc1OCCc1ccc2ccccc2n1 ZINC000043194380 563168260 /nfs/dbraw/zinc/16/82/60/563168260.db2.gz MUQUFIBWWXZLNL-XMMPIXPASA-N 0 0 490.607 6.192 1 0 in-vitro JKAFRN CC(C)Oc1ccc2c(c1)n(Cc1ccccn1)c(C(C)C)c2C(=O)NCc1ccc(F)c(F)c1 ZINC000043197828 563168443 /nfs/dbraw/zinc/16/84/43/563168443.db2.gz XDGQBIKSWXRZBO-UHFFFAOYSA-N 0 0 477.555 6.203 1 0 JKAFRN CCc1cccc(NC(=O)N2CCc3nc(-c4c(C)noc4C)nc(-c4ccccc4C)c3C2)c1 ZINC000043202162 563168586 /nfs/dbraw/zinc/16/85/86/563168586.db2.gz JUFJOGWAHDLPEF-UHFFFAOYSA-N 0 0 467.573 5.876 1 0 JKAFRN NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccccc1 ZINC000043201167 563168594 /nfs/dbraw/zinc/16/85/94/563168594.db2.gz IAQKSUMFSKWEMM-UHFFFAOYSA-N 0 0 466.225 5.204 1 0 JKAFRN C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000043201962 563168603 /nfs/dbraw/zinc/16/86/03/563168603.db2.gz DEEQMQGTBCCINJ-GOSISDBHSA-N 0 0 476.502 5.667 1 0 JKAFRN CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc54)c(Cl)c3)c21 ZINC000043208435 563168947 /nfs/dbraw/zinc/16/89/47/563168947.db2.gz AAGKMGNYUYCEPD-UHFFFAOYSA-N 0 0 478.965 5.366 1 0 JKAFRN CO[C@@H]1[C@H](O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@]21C ZINC000043411942 563169882 /nfs/dbraw/zinc/16/98/82/563169882.db2.gz BTHGFDSZBCOKOR-GEWKHYRHSA-N 0 0 488.753 5.737 1 0 JKAFRN CCC(/C=C/[C@H]1OC(=O)C=C[C@@H]1C)=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC ZINC000043511309 563170225 /nfs/dbraw/zinc/17/02/25/563170225.db2.gz WWNRMMIDGQJVCO-ZSQVVOHQSA-N 0 0 470.694 6.774 1 0 JKAFRN CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000043598681 563170661 /nfs/dbraw/zinc/17/06/61/563170661.db2.gz SHCBCKBYTHZQGZ-LWDWJOAGSA-N 0 0 476.742 5.471 1 0 JKAFRN CC1=CC[C@@H]([C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@@H](O)[C@@H]5[C@@]6(C=CC(=O)OC5(C)C)C[C@@]46CC[C@]23C)OC1=O ZINC000044359083 563172168 /nfs/dbraw/zinc/17/21/68/563172168.db2.gz APOPUTYAPYVYFW-HLNDSBHSSA-N 0 0 482.661 5.366 1 0 biogenic,in-vitro JKAFRN CCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@]45C=CC(=O)O[C@@H]4O5)C[C@H]4O[C@@]432)C1 ZINC000044358613 563172174 /nfs/dbraw/zinc/17/21/74/563172174.db2.gz CBERTSGIPSJWBL-GIUJEAEVSA-N 0 0 484.633 5.087 1 0 JKAFRN CC(=O)OC[C@@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044386317 563172322 /nfs/dbraw/zinc/17/23/22/563172322.db2.gz DZFGXGROBZHZDP-HVQZJOJTSA-N 0 0 478.714 5.098 1 0 JKAFRN C[C@@H]1CC[C@]23CO[C@@]4(C=C[C@H]5[C@@](C)(CC[C@H]6[C@](C)(CO)[C@@H](O)CC[C@]56C)[C@]4(C)CC2)[C@@H]3[C@H]1C ZINC000044387114 563172393 /nfs/dbraw/zinc/17/23/93/563172393.db2.gz YLRBQSHMAKWGAM-IQKBEGMZSA-N 0 0 456.711 5.986 1 0 JKAFRN COC(=O)c1ccc2c(c1)C[C@H]1[C@]3(C)C[C@@H](O)[C@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@]4(C)[C@H]3CC[C@]1(C)O2 ZINC000044404932 563172539 /nfs/dbraw/zinc/17/25/39/563172539.db2.gz KEWBCMLYHMSQGF-KMFCSVFQSA-N 0 0 498.660 5.338 1 0 JKAFRN CC(=O)O[C@@H]1C[C@@]2(C)C(=CC[C@]3(C)[C@@H]2[C@H](O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C(C)(C)[C@H]1O ZINC000044430340 563172751 /nfs/dbraw/zinc/17/27/51/563172751.db2.gz MLEVHKMQNKPYKX-HTJZOODISA-N 0 0 498.748 6.457 1 0 JKAFRN FC(F)(F)c1cc(Nc2ccc(Oc3ccccc3)cc2)c2cc(-c3ccncc3)ccc2n1 ZINC000045166946 563172939 /nfs/dbraw/zinc/17/29/39/563172939.db2.gz ZGGZSSUSKHBJJB-UHFFFAOYSA-N 0 0 457.455 7.852 1 0 JKAFRN COC(=O)c1ccc2[nH]c(-c3ccc(C=CC(=O)NCc4ccc(Cl)c(Cl)c4)cc3)nc2c1 ZINC000045167291 563173057 /nfs/dbraw/zinc/17/30/57/563173057.db2.gz HZJFSAIMDIINRE-VZUCSPMQSA-N 0 0 480.351 5.653 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)N[C@H]5C[C@H]5c5ccccc5)cc4)c3)nc21 ZINC000045167550 563173316 /nfs/dbraw/zinc/17/33/16/563173316.db2.gz IAAGBYHTKVTYCO-BDYUSTAISA-N 0 0 458.565 6.883 1 0 JKAFRN CC(C)CCN(Cc1cncn1Cc1cccc(Cl)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000045167880 563173398 /nfs/dbraw/zinc/17/33/98/563173398.db2.gz JWEGFAWIRXBZOJ-UHFFFAOYSA-N 0 0 473.020 6.335 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)c5cnccc5C(F)(F)F)c4)c3)nc21 ZINC000045168389 563173730 /nfs/dbraw/zinc/17/37/30/563173730.db2.gz IZYXJNIPUWXSJK-UHFFFAOYSA-N 0 0 472.470 6.871 1 0 JKAFRN c1csc(-c2ccc3c(c2)nccc3Nc2cccc(-c3nnnn3Cc3ccccc3)c2)n1 ZINC000045186566 563174054 /nfs/dbraw/zinc/17/40/54/563174054.db2.gz RHPRNXPIOQCFKD-UHFFFAOYSA-N 0 0 461.554 5.804 1 0 JKAFRN CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)cc2)c1 ZINC000045186766 563174229 /nfs/dbraw/zinc/17/42/29/563174229.db2.gz KSTRVMQFYIOGMO-UHFFFAOYSA-N 0 0 460.537 6.416 1 0 JKAFRN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045187257 563174306 /nfs/dbraw/zinc/17/43/06/563174306.db2.gz FZHQCUAAHMVHFO-UHFFFAOYSA-N 0 0 464.500 6.247 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)[C@@H]5CC(=O)Nc6ccccc65)c4)c3)nc21 ZINC000045187780 563174564 /nfs/dbraw/zinc/17/45/64/563174564.db2.gz FSJDKHNWRRNKNE-XMMPIXPASA-N 0 0 472.548 6.270 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Nc5ccc6c(c5)OCO6)c4)cc3)nc21 ZINC000045188179 563174679 /nfs/dbraw/zinc/17/46/79/563174679.db2.gz FNLXSWBAMPELOH-UHFFFAOYSA-N 0 0 462.509 6.578 1 0 JKAFRN CC[C@@H](C)NS(=O)(=O)c1ccc2nc(Nc3cccc(SC)c3)n([C@H](C)C(C)C)c2c1 ZINC000045188130 563174740 /nfs/dbraw/zinc/17/47/40/563174740.db2.gz JYHFAFLLHCVVRI-IAGOWNOFSA-N 0 0 460.669 5.796 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)s3)nc21 ZINC000045189360 563175157 /nfs/dbraw/zinc/17/51/57/563175157.db2.gz NFQICQJIECXWPL-UHFFFAOYSA-N 0 0 458.974 7.564 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)N[C@@H]5C[C@@H]5c5ccccc5)c4)c3)nc21 ZINC000045189719 563175306 /nfs/dbraw/zinc/17/53/06/563175306.db2.gz MYQBZMNKLFIFNX-XNMGPUDCSA-N 0 0 458.565 6.883 1 0 JKAFRN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCCCC(c2ccc(Cl)cc2)=N1 ZINC000045190104 563175408 /nfs/dbraw/zinc/17/54/08/563175408.db2.gz BUGSIZPOEAACNS-UHFFFAOYSA-N 0 0 452.190 5.879 1 0 JKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)Nc1ccc(F)c(F)c1F ZINC000045190115 563175417 /nfs/dbraw/zinc/17/54/17/563175417.db2.gz GTDHQKKUXGRBHK-UHFFFAOYSA-N 0 0 458.443 6.958 1 0 JKAFRN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045190081 563175439 /nfs/dbraw/zinc/17/54/39/563175439.db2.gz GQGVPBMRXWPLPO-UHFFFAOYSA-N 0 0 490.563 7.026 1 0 JKAFRN Cc1[nH]c(C)c(-c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)c(=O)c1Br ZINC000045191135 563175803 /nfs/dbraw/zinc/17/58/03/563175803.db2.gz JZQPVOWNOXEYCY-UHFFFAOYSA-N 0 0 454.242 6.112 1 0 JKAFRN Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)Nc2ccnc(NCC3CCCCC3)n2)cc1 ZINC000045191449 563175868 /nfs/dbraw/zinc/17/58/68/563175868.db2.gz DLLMBBHJPIXDHZ-VWLOTQADSA-N 0 0 457.622 5.117 1 0 JKAFRN CC(=O)Nc1cccc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)c2)c1 ZINC000045191473 563175942 /nfs/dbraw/zinc/17/59/42/563175942.db2.gz KSFPUUCIDDCSLO-UHFFFAOYSA-N 0 0 466.566 6.478 1 0 JKAFRN COc1ccc(Nc2nc(NCc3ccc(-n4ccnc4)cc3)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000045192411 563176247 /nfs/dbraw/zinc/17/62/47/563176247.db2.gz QCSQNLGGMFTAKY-UHFFFAOYSA-N 0 0 478.556 5.702 1 0 JKAFRN C[C@@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045192349 563176249 /nfs/dbraw/zinc/17/62/49/563176249.db2.gz POOCNGLPOYEQQS-CRICUBBOSA-N 0 0 493.529 6.291 1 0 JKAFRN C[C@H](O)[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045192346 563176265 /nfs/dbraw/zinc/17/62/65/563176265.db2.gz POOCNGLPOYEQQS-SSOJOUAXSA-N 0 0 493.529 6.291 1 0 JKAFRN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1-c1cccc(C(=O)Nc2ccc(F)cc2)c1 ZINC000045192948 563176508 /nfs/dbraw/zinc/17/65/08/563176508.db2.gz QJALQXULMSQPLL-UHFFFAOYSA-N 0 0 473.935 7.351 1 0 JKAFRN O=C(NCc1ccccc1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045192760 563176557 /nfs/dbraw/zinc/17/65/57/563176557.db2.gz LLMWFNZHDJMBPF-UHFFFAOYSA-N 0 0 486.497 7.237 1 0 JKAFRN O=C(Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1)c1cnc2ccccc2c1 ZINC000045193974 563176879 /nfs/dbraw/zinc/17/68/79/563176879.db2.gz MAZHKFWIUGREHC-UHFFFAOYSA-N 0 0 460.320 7.116 1 0 JKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000045193872 563176902 /nfs/dbraw/zinc/17/69/02/563176902.db2.gz LLBRMYYCXCJDAO-QHCPKHFHSA-N 0 0 458.521 5.961 1 0 JKAFRN Cc1cc(OCC2CCN(c3ncc(C(=O)Nc4ccccc4)cc3Cl)CC2)ccc1F ZINC000045194120 563177001 /nfs/dbraw/zinc/17/70/01/563177001.db2.gz WNWFQHGFAYOLPU-UHFFFAOYSA-N 0 0 453.945 5.730 1 0 JKAFRN CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)cc3)n([C@H]3CCCC[C@@H]3C)c2c1 ZINC000045201662 563178379 /nfs/dbraw/zinc/17/83/79/563178379.db2.gz KGSRHUPBMAPIKV-YDHSSHFGSA-N 0 0 454.640 5.916 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)C[C@@H]5NC(=O)c6ccccc65)cc4)c3)nc21 ZINC000045201913 563178474 /nfs/dbraw/zinc/17/84/74/563178474.db2.gz UDBXBSLBGMVUOW-SANMLTNESA-N 0 0 472.548 6.019 1 0 JKAFRN CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)s1 ZINC000045202412 563178736 /nfs/dbraw/zinc/17/87/36/563178736.db2.gz WEFBRQNZLPOQPL-UHFFFAOYSA-N 0 0 467.554 5.873 1 0 JKAFRN O=C(Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccc(F)c(F)c1F ZINC000045202559 563178821 /nfs/dbraw/zinc/17/88/21/563178821.db2.gz WWMZUWPLJPUNKH-UHFFFAOYSA-N 0 0 464.472 7.020 1 0 JKAFRN CN1CCN(CC(=O)Nc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)CC1 ZINC000045202569 563178867 /nfs/dbraw/zinc/17/88/67/563178867.db2.gz XPGIEBAPASJVJN-UHFFFAOYSA-N 0 0 499.562 5.163 1 0 JKAFRN Cc1[nH]c(C)c(Cc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1Br ZINC000045209969 563179265 /nfs/dbraw/zinc/17/92/65/563179265.db2.gz WLODLUWFMHLOFJ-UHFFFAOYSA-N 0 0 468.269 6.036 1 0 JKAFRN CCOc1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)ccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000045210137 563179373 /nfs/dbraw/zinc/17/93/73/563179373.db2.gz UTTGJZRKCDQCDK-UHFFFAOYSA-N 0 0 474.775 6.519 1 0 JKAFRN CCOC(=O)c1ccc(NC(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045211115 563179579 /nfs/dbraw/zinc/17/95/79/563179579.db2.gz RRRYOPVRTCNUDR-UHFFFAOYSA-N 0 0 476.536 6.718 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)s3)nc21 ZINC000045211099 563179626 /nfs/dbraw/zinc/17/96/26/563179626.db2.gz CEWUNVYURUUSMR-UHFFFAOYSA-N 0 0 476.609 6.137 1 0 JKAFRN O=S(=O)(c1cccc(Br)c1)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045226668 563179790 /nfs/dbraw/zinc/17/97/90/563179790.db2.gz SHBJRDCPRSVDHN-UHFFFAOYSA-N 0 0 461.303 5.047 1 0 JKAFRN O=C(Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1)c1csnn1 ZINC000045227679 563180152 /nfs/dbraw/zinc/18/01/52/563180152.db2.gz YZOQSFBQFAADMF-UHFFFAOYSA-N 0 0 465.460 6.020 1 0 JKAFRN COc1cccc(OC2CCN(C(=O)c3ccc(-c4ccc(N5CCCC5=O)cc4C)cc3)CC2)c1 ZINC000045230295 563181048 /nfs/dbraw/zinc/18/10/48/563181048.db2.gz UEWHMXHQJZOGBZ-UHFFFAOYSA-N 0 0 484.596 5.481 1 0 JKAFRN O=C(Nc1cccc(CN2CCN(Cc3ccc(O)cc3)CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000045230029 563181116 /nfs/dbraw/zinc/18/11/16/563181116.db2.gz FBTSXKPSVRVZDG-UHFFFAOYSA-N 0 0 470.400 5.269 1 0 JKAFRN NC(=O)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5cc(F)ccc5[nH]4)c3)c2)c1 ZINC000045230929 563181330 /nfs/dbraw/zinc/18/13/30/563181330.db2.gz ZGNZWPILEBLZDH-UHFFFAOYSA-N 0 0 450.473 5.387 1 0 JKAFRN Cc1cc(C)cc(Oc2c(I)c(=O)[nH]c(C)c2COCc2ccc(F)cc2)c1 ZINC000045245070 563181514 /nfs/dbraw/zinc/18/15/14/563181514.db2.gz SOWYUQKVDMOXOC-UHFFFAOYSA-N 0 0 493.316 5.553 1 0 JKAFRN O=C(NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21)c1ccc(C(F)(F)F)cc1 ZINC000045245148 563181576 /nfs/dbraw/zinc/18/15/76/563181576.db2.gz OZDOALOAQBDLFY-MRXNPFEDSA-N 0 0 452.738 5.109 1 0 JKAFRN O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000045245533 563181696 /nfs/dbraw/zinc/18/16/96/563181696.db2.gz FHXVHKDZTCOJMN-RTBURBONSA-N 0 0 454.492 6.440 1 0 JKAFRN O=C(NC1(c2ccccc2)CCC1)[C@@H]1CCC[C@H]1c1cc(-c2cc(C(F)(F)F)ccc2O)on1 ZINC000045245578 563181737 /nfs/dbraw/zinc/18/17/37/563181737.db2.gz XKKISYFXBZLXDO-RTBURBONSA-N 0 0 470.491 6.145 1 0 JKAFRN CC(=O)N[C@@H](C)c1ccc(-c2ccc(Oc3ccc(-c4c(O)ccc5c4CCCC5)cc3)cc2)cc1 ZINC000045245805 563181810 /nfs/dbraw/zinc/18/18/10/563181810.db2.gz GVMSBKHRTUUAPS-NRFANRHFSA-N 0 0 477.604 7.594 1 0 JKAFRN O=C(CCCCCCn1cc(-c2cccnc2)nn1)NCC(c1ccccc1)c1ccccc1 ZINC000045253143 563181936 /nfs/dbraw/zinc/18/19/36/563181936.db2.gz JHQVIALEVWUBNK-UHFFFAOYSA-N 0 0 453.590 5.239 1 0 JKAFRN O=C(NCc1ccc(Br)cc1OC(F)(F)F)c1ccc(OCCC(F)(F)F)nc1 ZINC000045253314 563182030 /nfs/dbraw/zinc/18/20/30/563182030.db2.gz VLVJWVWVJRMAMD-UHFFFAOYSA-N 0 0 487.194 5.004 1 0 JKAFRN Nc1ncnc2c1ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000045253565 563182144 /nfs/dbraw/zinc/18/21/44/563182144.db2.gz QLTGZAASFAUYST-UHFFFAOYSA-N 0 0 480.372 5.684 1 0 JKAFRN O=C(CCCCCCCCn1cc(-c2cccnc2)nn1)Nc1ccccc1Cc1ccccc1 ZINC000045254005 563182226 /nfs/dbraw/zinc/18/22/26/563182226.db2.gz XHHLVDUXDKULFK-UHFFFAOYSA-N 0 0 467.617 6.300 1 0 JKAFRN Cc1ccc(Cl)c(Oc2nc3c4c(nc(C)c3c(=O)n2-c2ccccc2)sc2c4CCCC2)c1 ZINC000045254374 563182361 /nfs/dbraw/zinc/18/23/61/563182361.db2.gz KSLBOJYQNFJQOI-UHFFFAOYSA-N 0 0 488.012 6.937 1 0 JKAFRN Cc1cnc(Nc2ccc(Cl)cc2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 ZINC000045254390 563182363 /nfs/dbraw/zinc/18/23/63/563182363.db2.gz MSOZBJDLTCXBAV-JOCHJYFZSA-N 0 0 496.398 5.602 1 0 JKAFRN FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1Cc1ccccc1)c2NC1CCCCC1 ZINC000045255080 563182510 /nfs/dbraw/zinc/18/25/10/563182510.db2.gz HJRGGBDESJYWHD-UHFFFAOYSA-N 0 0 483.563 6.594 1 0 JKAFRN O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1ccccc1Br ZINC000045255429 563182626 /nfs/dbraw/zinc/18/26/26/563182626.db2.gz WYVWHGNJTGQPNF-UHFFFAOYSA-N 0 0 456.390 5.852 1 0 JKAFRN Cc1ccc(C(=O)[O-])c(Oc2nc(Oc3cc(-c4cccc(C[NH3+])c4)ccc3N)c(F)cc2F)c1 ZINC000045256152 563182705 /nfs/dbraw/zinc/18/27/05/563182705.db2.gz ZWKOWNMFJBUUGV-UHFFFAOYSA-N 0 0 477.467 5.659 1 0 JKAFRN C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)[C@@H]1CN(C(=O)CCCCc2ccccc2)C1=O ZINC000045258712 563182943 /nfs/dbraw/zinc/18/29/43/563182943.db2.gz HOYYKLWLSHLEJM-AMGIVPHBSA-N 0 0 469.581 5.226 1 0 JKAFRN FC(F)(F)c1cccc(Nc2ncnc3ccc(NC(=S)Nc4cccc5ccccc54)cc32)c1 ZINC000045259149 563183056 /nfs/dbraw/zinc/18/30/56/563183056.db2.gz DLDQYZPYWHZJOW-UHFFFAOYSA-N 0 0 489.526 7.354 1 0 JKAFRN Cc1ccc([C@H]2C3=C(c4ccccc4O[C@H]3c3ccc(Br)cc3)N(C)c3ncnn32)cc1 ZINC000045259933 563183137 /nfs/dbraw/zinc/18/31/37/563183137.db2.gz XTOOFJKUOMSKAG-ZCYQVOJMSA-N 0 0 485.385 5.933 1 0 JKAFRN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(Cl)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045260696 563183219 /nfs/dbraw/zinc/18/32/19/563183219.db2.gz GVVYZJLUZCRFEO-IBGZPJMESA-N 0 0 453.873 5.409 1 0 JKAFRN Cc1nc2sc3c(c2c2nc(Oc4ccc(F)cc4Cl)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045260758 563183290 /nfs/dbraw/zinc/18/32/90/563183290.db2.gz FOUPVRDKBMYBOZ-UHFFFAOYSA-N 0 0 491.975 6.767 1 0 JKAFRN CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1 ZINC000045261487 563183299 /nfs/dbraw/zinc/18/32/99/563183299.db2.gz SJOKPCUBKAMNFF-HSZRJFAPSA-N 0 0 475.980 5.203 1 0 JKAFRN O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@@H](c2cccc(Cl)c2)C1 ZINC000045261671 563183378 /nfs/dbraw/zinc/18/33/78/563183378.db2.gz CUJKNLBDGUROLB-SFHLNBCPSA-N 0 0 466.887 5.789 1 0 JKAFRN Fc1cc(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)CS3)c(Cl)cc1Cl ZINC000045283954 563183533 /nfs/dbraw/zinc/18/35/33/563183533.db2.gz DYGWFOIIUPEKNB-UHFFFAOYSA-N 0 0 466.127 6.195 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000045284851 563183706 /nfs/dbraw/zinc/18/37/06/563183706.db2.gz NISSAXVTBRVSOS-SFHVURJKSA-N 0 0 467.400 6.386 1 0 JKAFRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccccc1CCc1ccccc1 ZINC000045284857 563183780 /nfs/dbraw/zinc/18/37/80/563183780.db2.gz FKRZWNNFTCLNFL-UHFFFAOYSA-N 0 0 465.163 6.886 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3F)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045286930 563184110 /nfs/dbraw/zinc/18/41/10/563184110.db2.gz AIJRACQLHJNHHF-UHFFFAOYSA-N 0 0 459.524 5.485 1 0 JKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON=C(c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000045287529 563184183 /nfs/dbraw/zinc/18/41/83/563184183.db2.gz BDKKCFLICXKRRH-GJMJJNOCSA-N 0 0 460.577 6.133 1 0 JKAFRN C[C@H]1c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000045287701 563184282 /nfs/dbraw/zinc/18/42/82/563184282.db2.gz LHKNBHBTVDFUOR-INIZCTEOSA-N 0 0 465.962 5.579 1 0 JKAFRN Cc1cc(C)cc(Sc2c(I)c(=O)[nH]c(C)c2CSCC(C)C)c1 ZINC000045288310 563184472 /nfs/dbraw/zinc/18/44/72/563184472.db2.gz MFTFEEWGJABELS-UHFFFAOYSA-N 0 0 473.445 5.945 1 0 JKAFRN CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(OC)cc1 ZINC000045288882 563184554 /nfs/dbraw/zinc/18/45/54/563184554.db2.gz PBUPWUHIUYQXFG-HXUWFJFHSA-N 0 0 454.017 5.052 1 0 JKAFRN COc1cccc(CCc2cccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)c2)c1 ZINC000045288877 563184570 /nfs/dbraw/zinc/18/45/70/563184570.db2.gz LPRDFXAERLBTQG-UHFFFAOYSA-N 0 0 495.189 6.895 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045289484 563184625 /nfs/dbraw/zinc/18/46/25/563184625.db2.gz HGNNKJWGQHIWMJ-UHFFFAOYSA-N 0 0 476.579 6.795 1 0 JKAFRN CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1ccc3ccccc3c1)n1nc(-c3ccco3)nc21 ZINC000045289653 563184689 /nfs/dbraw/zinc/18/46/89/563184689.db2.gz KLGDQUYPDOFJCW-UHFFFAOYSA-N 0 0 479.544 5.115 1 0 JKAFRN COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2Sc2ncccn2)c(OC)c1OC ZINC000045289908 563184802 /nfs/dbraw/zinc/18/48/02/563184802.db2.gz VMJRSUMEGWCXLV-UHFFFAOYSA-N 0 0 489.475 5.994 1 0 JKAFRN Cc1c(C(=O)NCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045290281 563184866 /nfs/dbraw/zinc/18/48/66/563184866.db2.gz BWJBMJWNVIDIJU-UHFFFAOYSA-N 0 0 459.764 5.862 1 0 JKAFRN Cc1c(-c2cn(C(C)(C)C)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000045290096 563184899 /nfs/dbraw/zinc/18/48/99/563184899.db2.gz ROEYMBOPHKREJX-UHFFFAOYSA-N 0 0 459.808 7.426 1 0 JKAFRN Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000045291303 563185028 /nfs/dbraw/zinc/18/50/28/563185028.db2.gz QQKXBYYVXQLJDF-UHFFFAOYSA-N 0 0 473.791 5.904 1 0 JKAFRN CCC(CC)[C@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000045299366 563185250 /nfs/dbraw/zinc/18/52/50/563185250.db2.gz QXCMHNSNDUJJHI-HXUWFJFHSA-N 0 0 482.469 5.494 1 0 JKAFRN O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl ZINC000045299450 563185252 /nfs/dbraw/zinc/18/52/52/563185252.db2.gz DAOSRWDWMDTVAZ-UHFFFAOYSA-N 0 0 481.833 5.886 1 0 JKAFRN Nc1nc2c(s1)-c1cccc(c1)Oc1ccc(O)cc1CCc1ccc(O)c(c1)Oc1ccc-2cc1 ZINC000045299708 563185383 /nfs/dbraw/zinc/18/53/83/563185383.db2.gz RFLZUDFYNRUVRJ-UHFFFAOYSA-N 0 0 494.572 7.154 1 0 JKAFRN CCN(CC)C(=O)c1ccc(N(c2cccc(C(=O)[O-])c2)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000045300648 563185571 /nfs/dbraw/zinc/18/55/71/563185571.db2.gz VSLXJVGPFKJKMJ-UHFFFAOYSA-N 0 0 485.628 5.670 1 0 JKAFRN CC(=O)Nc1cccc(C(=O)Nc2ccc(-c3ccc(-c4nc5c(cccc5C)[nH]4)s3)cc2)c1 ZINC000045301204 563185664 /nfs/dbraw/zinc/18/56/64/563185664.db2.gz WZEHAHFFLZSUQR-UHFFFAOYSA-N 0 0 466.566 6.478 1 0 JKAFRN CCOc1cc(C(=O)Nc2ccc(Cl)c(-c3cc4ccccc4[nH]3)c2)cc(OC)c1OC ZINC000045300887 563185695 /nfs/dbraw/zinc/18/56/95/563185695.db2.gz KFRJZSXVOBBNOZ-UHFFFAOYSA-N 0 0 450.922 6.157 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4cccc(NC(=O)CNc5ccc(C(N)=O)cc5)c4)c3)nc21 ZINC000045301383 563185756 /nfs/dbraw/zinc/18/57/56/563185756.db2.gz UTJFKBAQSMRQCA-UHFFFAOYSA-N 0 0 475.552 5.355 1 0 JKAFRN Cc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045301519 563185764 /nfs/dbraw/zinc/18/57/64/563185764.db2.gz HBYVKAXKMOLOJA-UHFFFAOYSA-N 0 0 469.416 5.977 1 0 JKAFRN O=C(Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000045301848 563185888 /nfs/dbraw/zinc/18/58/88/563185888.db2.gz XOZDNGDLDLSIEY-UHFFFAOYSA-N 0 0 473.363 7.848 1 0 JKAFRN CC(=O)Nc1nc(C(=O)Nc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cs1 ZINC000045302170 563186172 /nfs/dbraw/zinc/18/61/72/563186172.db2.gz VLGPDAWQXNHTAU-UHFFFAOYSA-N 0 0 453.527 5.564 1 0 JKAFRN CC[NH+](CC)Cc1cccc(-c2cc3c(nccc3-c3ccc(C(=O)[O-])c(C(C)C)c3)[nH]2)c1OC ZINC000045302484 563186396 /nfs/dbraw/zinc/18/63/96/563186396.db2.gz LVVFYPXMXIDWRP-UHFFFAOYSA-N 0 0 471.601 6.569 1 0 JKAFRN NC(=O)c1ccc(NCC(=O)Nc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)cc1 ZINC000045302500 563186422 /nfs/dbraw/zinc/18/64/22/563186422.db2.gz UMGLSCSLDUAREA-UHFFFAOYSA-N 0 0 461.525 5.046 1 0 JKAFRN Cc1nc2sc3c(c2c2nc(Oc4cc(F)cc(F)c4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045302541 563186506 /nfs/dbraw/zinc/18/65/06/563186506.db2.gz HGJMQPRVZXMJKZ-UHFFFAOYSA-N 0 0 475.520 6.253 1 0 JKAFRN CCNC(=O)Nc1cn2c(cc(-c3cccnc3)cc2-c2nc(C(F)(F)F)cc(C(F)(F)F)n2)n1 ZINC000045302899 563186831 /nfs/dbraw/zinc/18/68/31/563186831.db2.gz OIKPUVGIFBCWLO-UHFFFAOYSA-N 0 0 495.387 5.032 1 0 JKAFRN Oc1ccc(CN2CCN(CCO[C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1Cl ZINC000045303190 563187124 /nfs/dbraw/zinc/18/71/24/563187124.db2.gz UBXVYUXOWSLMBF-AREMUKBSSA-N 0 0 471.428 5.623 1 0 JKAFRN CCC(=O)N1CCOc2c(cc(-c3csc4ccccc43)cc2OCCc2ccccn2)C1 ZINC000045303241 563187254 /nfs/dbraw/zinc/18/72/54/563187254.db2.gz NKNMUQDEACCWBP-UHFFFAOYSA-N 0 0 458.583 5.716 1 0 JKAFRN CC(=O)Nc1ccc2c(c1)nc(C1C(C)=Nc3ccnn3[C@@H]1c1ccc(Cl)c(Cl)c1)n2C ZINC000045315369 563187331 /nfs/dbraw/zinc/18/73/31/563187331.db2.gz FCGLYXNJMRCXHG-JOCHJYFZSA-N 0 0 467.360 5.481 1 0 JKAFRN COc1ccc(-c2nn3c(nccc3NC3CCCC3)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000045317756 563187642 /nfs/dbraw/zinc/18/76/42/563187642.db2.gz BKKLPKXTXSSVGS-UHFFFAOYSA-N 0 0 469.593 5.571 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)COc5ccccc5C(N)=O)c4)s3)nc21 ZINC000045319271 563187843 /nfs/dbraw/zinc/18/78/43/563187843.db2.gz VEIKOWOHMXMAQY-UHFFFAOYSA-N 0 0 482.565 5.383 1 0 JKAFRN CN1c2ncnn2[C@@H](c2ccc(Cl)cc2)C2=C1c1ccccc1O[C@@H]2c1ccc(Cl)cc1 ZINC000045319532 563187912 /nfs/dbraw/zinc/18/79/12/563187912.db2.gz TVZQVERUCXVELL-LADGPHEKSA-N 0 0 461.352 6.169 1 0 JKAFRN COc1ccc(-c2nc3cccnc3n2CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1 ZINC000045322346 563188430 /nfs/dbraw/zinc/18/84/30/563188430.db2.gz LGOBXVIXZGBMFU-UHFFFAOYSA-N 0 0 491.762 5.714 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)c1cccs1)c2NC(C)(C)CC(C)(C)C ZINC000045322563 563188512 /nfs/dbraw/zinc/18/85/12/563188512.db2.gz MHRJNGYMVJWCIX-UHFFFAOYSA-N 0 0 461.631 7.217 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=S)c1 ZINC000045323457 563188890 /nfs/dbraw/zinc/18/88/90/563188890.db2.gz IRRHAVVSRQEMQQ-UHFFFAOYSA-N 0 0 483.490 5.305 1 0 JKAFRN COc1cc(C2=NN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCCC2)ccc1Cl ZINC000045324179 563189103 /nfs/dbraw/zinc/18/91/03/563189103.db2.gz DZZOADRURNOVFK-UHFFFAOYSA-N 0 0 482.216 5.888 1 0 JKAFRN Cn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045324517 563189212 /nfs/dbraw/zinc/18/92/12/563189212.db2.gz GNOWZQZPZCPUTE-UHFFFAOYSA-N 0 0 461.447 5.902 1 0 JKAFRN CC(=O)Nc1nc(C(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cs1 ZINC000045325091 563189385 /nfs/dbraw/zinc/18/93/85/563189385.db2.gz AWGPDESIIADPSM-UHFFFAOYSA-N 0 0 467.554 5.873 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Nc5ccc6c(c5)OCO6)cc4)c3)nc21 ZINC000045334716 563189559 /nfs/dbraw/zinc/18/95/59/563189559.db2.gz ILPCEIARYWWWGT-UHFFFAOYSA-N 0 0 462.509 6.578 1 0 JKAFRN Cc1ccc(Oc2nc3c4c5c(sc4nc(C)c3c(=O)n2-c2ccccc2)CCCC5)cc1 ZINC000045334816 563189763 /nfs/dbraw/zinc/18/97/63/563189763.db2.gz BRYWBSYHOPNCSQ-UHFFFAOYSA-N 0 0 453.567 6.283 1 0 JKAFRN O=C(c1cc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)on1)N1CCCCO1 ZINC000045337434 563190491 /nfs/dbraw/zinc/19/04/91/563190491.db2.gz DCEQKQFGBQMECM-UHFFFAOYSA-N 0 0 475.345 5.007 1 0 JKAFRN O=C(CSC(=S)N(Cc1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000045337465 563190497 /nfs/dbraw/zinc/19/04/97/563190497.db2.gz XZCCHIAQLHMEBJ-UHFFFAOYSA-N 0 0 495.884 7.310 1 0 JKAFRN CCCS(=O)(=O)NC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045338239 563190784 /nfs/dbraw/zinc/19/07/84/563190784.db2.gz NUQRCEBDDFASAD-BTYIYWSLSA-N 0 0 475.869 5.934 1 0 JKAFRN COc1ccc2c(c1)[nH]c1c2ccc(OS(=O)(=O)c2cccc3c2cccc3N(C)C)c1C ZINC000045337916 563190616 /nfs/dbraw/zinc/19/06/16/563190616.db2.gz MPANLUNLYVYBCH-UHFFFAOYSA-N 0 0 460.555 5.625 1 0 JKAFRN O=C(Oc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1O)c1ccccc1Cl ZINC000045339360 563191088 /nfs/dbraw/zinc/19/10/88/563191088.db2.gz VCGDYSHHFQSGKF-WOJGMQOQSA-N 0 0 454.265 5.263 1 0 JKAFRN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(=O)N(c2ccc(Cl)cc2)CC1 ZINC000045348527 563191497 /nfs/dbraw/zinc/19/14/97/563191497.db2.gz NHZUMZVVTDBHJK-UHFFFAOYSA-N 0 0 464.793 5.257 1 0 JKAFRN CCCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045349140 563191557 /nfs/dbraw/zinc/19/15/57/563191557.db2.gz HRXRTZUZVWAYOB-UHFFFAOYSA-N 0 0 485.527 7.205 1 0 JKAFRN NC(=O)Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000045349665 563191586 /nfs/dbraw/zinc/19/15/86/563191586.db2.gz JIEBBFKAEQPFDV-UHFFFAOYSA-N 0 0 483.330 5.265 1 0 JKAFRN CC(C)S(=O)(=O)c1cccc(Oc2cccc(-c3ccnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045350069 563191664 /nfs/dbraw/zinc/19/16/64/563191664.db2.gz MOQUFKNADUILIJ-UHFFFAOYSA-N 0 0 471.500 6.895 1 0 JKAFRN O=C(Nc1ccccc1)Nc1ccc(-c2nc3ccsc3c(N3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000045350960 563191706 /nfs/dbraw/zinc/19/17/06/563191706.db2.gz VROHDVQPMGULKN-BGYRXZFFSA-N 0 0 457.559 5.370 1 0 JKAFRN CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045352300 563191935 /nfs/dbraw/zinc/19/19/35/563191935.db2.gz XPWTYUUWBMPVLO-UHFFFAOYSA-N 0 0 466.868 5.894 1 0 JKAFRN Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c1=O ZINC000045351971 563191938 /nfs/dbraw/zinc/19/19/38/563191938.db2.gz PCAVJLSJKWGGFI-UHFFFAOYSA-N 0 0 468.793 5.360 1 0 JKAFRN CCS(=O)(=O)c1cc(F)cc(Oc2cccc(-n3c(C)nc4c3cccc4C(F)(F)F)c2)c1 ZINC000045351811 563191953 /nfs/dbraw/zinc/19/19/53/563191953.db2.gz YJTSPUKQCBSIGP-UHFFFAOYSA-N 0 0 478.467 6.078 1 0 JKAFRN CCS(=O)(=O)c1cccc(Oc2cccc(-c3c(C)cnc4c3cccc4C(F)(F)F)c2)c1 ZINC000045352801 563192012 /nfs/dbraw/zinc/19/20/12/563192012.db2.gz ZIMHQMXADUASSG-UHFFFAOYSA-N 0 0 471.500 6.815 1 0 JKAFRN O=C(Nc1ccc(Br)cc1)C(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000045353201 563192014 /nfs/dbraw/zinc/19/20/14/563192014.db2.gz WAOYFGDPCHQLRH-UHFFFAOYSA-N 0 0 451.295 5.413 1 0 JKAFRN COc1ccc2nc(C3CC3)c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c(Sc3ccc(C(C)C)cc3)c2c1 ZINC000045352347 563192039 /nfs/dbraw/zinc/19/20/39/563192039.db2.gz BZWGQJAEHJZWEY-SEKUJENWSA-N 0 0 489.637 6.475 1 0 JKAFRN OCc1ccc(Oc2cccc(-c3c4cccc(C(F)(F)F)c4ncc3-c3ccccc3)c2)cc1 ZINC000045353497 563192098 /nfs/dbraw/zinc/19/20/98/563192098.db2.gz KKPXMFGSPSGBQW-UHFFFAOYSA-N 0 0 471.478 7.872 1 0 JKAFRN CC(=O)c1cc(Br)cc2nc(-c3ccc(NC(=O)COc4ccccc4C)cc3)oc21 ZINC000045353299 563192120 /nfs/dbraw/zinc/19/21/20/563192120.db2.gz RXCHHEJAGAJRBB-UHFFFAOYSA-N 0 0 479.330 5.786 1 0 JKAFRN CC(C)c1nc2c(C(F)(F)F)cccn2c1-c1cccc(OCc2cccc(S(C)(=O)=O)c2)c1 ZINC000045355601 563192289 /nfs/dbraw/zinc/19/22/89/563192289.db2.gz DMUPDMHGBPGHOY-UHFFFAOYSA-N 0 0 488.531 6.126 1 0 JKAFRN O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000045356040 563192393 /nfs/dbraw/zinc/19/23/93/563192393.db2.gz APFIMMRBLUEEJX-WJOKGBTCSA-N 0 0 496.054 6.412 1 0 JKAFRN Cc1cc2nc(N3CCC[C@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045357904 563192562 /nfs/dbraw/zinc/19/25/62/563192562.db2.gz NTUJWRQIEFMYCQ-IBGZPJMESA-N 0 0 489.704 7.073 1 0 JKAFRN Cc1cc2nc(N3CCCCC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045357428 563192568 /nfs/dbraw/zinc/19/25/68/563192568.db2.gz ANWRAMASORWQMX-UHFFFAOYSA-N 0 0 475.677 6.827 1 0 JKAFRN COCCCCCCCCCCCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045357496 563192617 /nfs/dbraw/zinc/19/26/17/563192617.db2.gz GBSPCFNYBNTCMP-QDLTXIOKSA-N 0 0 482.702 6.288 1 0 JKAFRN COc1cc(/C=C/c2cc(O)c(CCC(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045358247 563192706 /nfs/dbraw/zinc/19/27/06/563192706.db2.gz SDPGTYZDUFQIRL-HLULBIOLSA-N 0 0 480.645 6.356 1 0 JKAFRN COC(=O)CCCCCCCCCCCCCC/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045364441 563192832 /nfs/dbraw/zinc/19/28/32/563192832.db2.gz HDWICMYJUIDXOY-KKSCSNNKSA-N 0 0 496.685 5.815 1 0 JKAFRN COC(=O)CCCCCCCCCCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O ZINC000045364444 563192842 /nfs/dbraw/zinc/19/28/42/563192842.db2.gz HDWICMYJUIDXOY-YMUXDPSLSA-N 0 0 496.685 5.815 1 0 JKAFRN O=C(CC(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000045365131 563192912 /nfs/dbraw/zinc/19/29/12/563192912.db2.gz JWHAZXDKSGAIEK-YTTGMZPUSA-N 0 0 495.066 6.796 1 0 JKAFRN CCCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000045366335 563193015 /nfs/dbraw/zinc/19/30/15/563193015.db2.gz FEDPXMXXSKNVNV-UHFFFAOYSA-N 0 0 463.666 7.812 1 0 JKAFRN COc1cc(CCc2cc(O)c(CCC(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000045366592 563193168 /nfs/dbraw/zinc/19/31/68/563193168.db2.gz VRQABKBYQHWBDG-YCVRVPNXSA-N 0 0 482.661 5.971 1 0 JKAFRN CC(=O)Nn1c(C)c(C)nc1NCc1ccc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F 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O=C(NC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2ccccc2C(F)(F)F)CC1 ZINC000045495358 563195506 /nfs/dbraw/zinc/19/55/06/563195506.db2.gz NHYLIJVMJKZCQG-HSZRJFAPSA-N 0 0 479.974 6.108 1 0 JKAFRN COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc21 ZINC000045496055 563195593 /nfs/dbraw/zinc/19/55/93/563195593.db2.gz CILRCMNRVGRQJH-UHFFFAOYSA-N 0 0 471.392 6.435 1 0 JKAFRN O=C(NC1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1 ZINC000045496295 563195712 /nfs/dbraw/zinc/19/57/12/563195712.db2.gz BWRQQTYERKIARX-HSZRJFAPSA-N 0 0 480.867 6.396 1 0 JKAFRN CCCC[C@@H](C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000045496851 563195808 /nfs/dbraw/zinc/19/58/08/563195808.db2.gz BXPRZTQHNUVJEZ-CQSZACIVSA-N 0 0 489.834 8.152 1 0 JKAFRN CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)OC1=O)CC ZINC000045496892 563195927 /nfs/dbraw/zinc/19/59/27/563195927.db2.gz COCUGVDXZHJFOX-MUTYACKUSA-N 0 0 486.693 7.034 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c4ccccc34)c21 ZINC000045497128 563196022 /nfs/dbraw/zinc/19/60/22/563196022.db2.gz OBPWIKHXEXVBRJ-UHFFFAOYSA-N 0 0 493.445 5.870 1 0 JKAFRN CC[C@H](C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000045497396 563196026 /nfs/dbraw/zinc/19/60/26/563196026.db2.gz YLGASSZSOXBMSE-LBPRGKRZSA-N 0 0 461.780 7.371 1 0 JKAFRN CC[C@@H](C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)o1 ZINC000045497394 563196029 /nfs/dbraw/zinc/19/60/29/563196029.db2.gz YLGASSZSOXBMSE-GFCCVEGCSA-N 0 0 461.780 7.371 1 0 JKAFRN CCO[C@@H](Cc1ccc(OCC[N@H+]2CC=C(c3cc(Cl)cc(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000045497256 563196044 /nfs/dbraw/zinc/19/60/44/563196044.db2.gz RYFMZOIYIHSKGH-QHCPKHFHSA-N 0 0 464.389 5.194 1 0 JKAFRN O=C(OC[C@@]1(CO)C/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)O1)C(c1ccccc1)c1ccccc1 ZINC000045497529 563196108 /nfs/dbraw/zinc/19/61/08/563196108.db2.gz DQOQYRLHCNJDAP-PJCRJCBDSA-N 0 0 496.481 5.142 1 0 JKAFRN COC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](C)c3ccccc3)c2)[nH]1 ZINC000045498810 563196306 /nfs/dbraw/zinc/19/63/06/563196306.db2.gz ACMGPDQAZWGVDG-INIZCTEOSA-N 0 0 462.550 5.716 1 0 JKAFRN CCOC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)C[C@@H](O)C[C@]34C)[C@]1(C)CC2 ZINC000048998860 563196682 /nfs/dbraw/zinc/19/66/82/563196682.db2.gz ZGVDWCUGEWKVJU-UMIBNUPHSA-N 0 0 484.765 7.712 1 0 in-vivo JKAFRN O=C(Nc1cccnc1)N1CC(/C=C/Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 ZINC000049013981 563197090 /nfs/dbraw/zinc/19/70/90/563197090.db2.gz DBNSFDREFRWUBQ-LZCJLJQNSA-N 0 0 454.452 5.550 1 0 JKAFRN CN1C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1[C@@H]3CC[C@H](N(C(=O)NC4CCCCC4)C4CC4)[C@@]3(C)CC[C@@H]12 ZINC000049014135 563197122 /nfs/dbraw/zinc/19/71/22/563197122.db2.gz KMGRRGJUBPSIKF-QTRBIBNASA-N 0 0 469.714 5.725 1 0 JKAFRN Cc1noc(NC(=O)N2CC(CCCc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)C2)c1C ZINC000049017814 563197456 /nfs/dbraw/zinc/19/74/56/563197456.db2.gz KBIRSJQFGPBRRO-UHFFFAOYSA-N 0 0 474.483 5.984 1 0 JKAFRN O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(OCN2CCCCC2)cc1 ZINC000049018216 563197459 /nfs/dbraw/zinc/19/74/59/563197459.db2.gz AUYLVPGDOVEOML-UHFFFAOYSA-N 0 0 459.567 6.033 1 0 JKAFRN O=C(Nc1cccnc1)N1CC(=CCCc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)C1 ZINC000049018969 563197567 /nfs/dbraw/zinc/19/75/67/563197567.db2.gz VGBHOCJWIMZFJD-UHFFFAOYSA-N 0 0 454.452 5.694 1 0 JKAFRN CC1(C)Cc2nc(C3CCCC3)c(C(=O)c3ccc(C(F)(F)F)cc3)c(C3CCCCC3)c2[C@@H](O)C1 ZINC000049032638 563198035 /nfs/dbraw/zinc/19/80/35/563198035.db2.gz JAOQRBJXQQDLAM-QHCPKHFHSA-N 0 0 499.617 8.043 1 0 JKAFRN O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)c1cccc(C(F)(F)F)c1 ZINC000049032567 563198068 /nfs/dbraw/zinc/19/80/68/563198068.db2.gz MSOIEDXPFWQELX-UHFFFAOYSA-N 0 0 488.473 5.675 1 0 JKAFRN CC(C)c1nc2c(c(C3CCCCC3)c1[C@@H](O)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)C2 ZINC000049033111 563198146 /nfs/dbraw/zinc/19/81/46/563198146.db2.gz UPPJNDFCGIBSES-CUNXSJBXSA-N 0 0 487.606 7.503 1 0 JKAFRN O=C(Nc1ccc(Cl)c(-c2ccnc3c(-c4cn[nH]c4)cnn32)c1)c1cccc(C(F)(F)F)c1 ZINC000049033171 563198164 /nfs/dbraw/zinc/19/81/64/563198164.db2.gz RQGLQNLOJSOQJU-UHFFFAOYSA-N 0 0 482.853 5.711 1 0 JKAFRN Cc1c(C(=O)NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(-c2ccccc2)n1C ZINC000049033785 563198270 /nfs/dbraw/zinc/19/82/70/563198270.db2.gz RGKBLDWBOBJRMY-UHFFFAOYSA-N 0 0 499.486 5.640 1 0 JKAFRN CSc1cccc(NC(=O)Nc2cccc(-c3cn4ccnc4c(NCc4ccncc4)n3)c2)c1 ZINC000049033766 563198287 /nfs/dbraw/zinc/19/82/87/563198287.db2.gz QMEBNHIMOFJSKX-UHFFFAOYSA-N 0 0 481.585 5.769 1 0 JKAFRN CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000049033730 563198293 /nfs/dbraw/zinc/19/82/93/563198293.db2.gz XKYREKUNWDBOHC-YKGWIAGDSA-N 0 0 476.576 7.012 1 0 JKAFRN CSc1ccccc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 ZINC000049033953 563198295 /nfs/dbraw/zinc/19/82/95/563198295.db2.gz KAQDDFYRKRNZPF-UHFFFAOYSA-N 0 0 481.585 5.769 1 0 JKAFRN O=C(/C=C\c1ccccc1Cl)N1CC[C@@H](N(Cc2ccc(F)cc2)Cc2ccccn2)[C@@H](F)C1 ZINC000049034185 563198411 /nfs/dbraw/zinc/19/84/11/563198411.db2.gz YIWKJQXEQMOKSF-QHODPUCZSA-N 0 0 481.974 5.529 1 0 JKAFRN CCN(Cc1c(C(F)(F)F)nc2n1cc(Cl)n2-c1c(C)cc(C)cc1C)Cc1ccccc1 ZINC000049034412 563198468 /nfs/dbraw/zinc/19/84/68/563198468.db2.gz OTBXCGNTKOCLPN-UHFFFAOYSA-N 0 0 474.958 6.745 1 0 JKAFRN CC1(C)C[C@H](NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049034908 563198535 /nfs/dbraw/zinc/19/85/35/563198535.db2.gz LGJVWHPVWBOBEW-FQEVSTJZSA-N 0 0 491.802 6.087 1 0 in-vivo JKAFRN O=C(NC1CCCCC1)N1CCN([C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049035944 563198859 /nfs/dbraw/zinc/19/88/59/563198859.db2.gz AVYPGVSZDDYIPB-QHCPKHFHSA-N 0 0 464.412 5.882 1 0 JKAFRN Cn1ncc2c1CCc1c3c(c4cc([C@@H]5CCCCO5)ccc4n3C3CCCC3)c3c(c1-2)C(=O)NC3 ZINC000049036597 563199027 /nfs/dbraw/zinc/19/90/27/563199027.db2.gz OKAGZQCHRAGISN-VWLOTQADSA-N 0 0 480.612 5.894 1 0 JKAFRN O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1ccccc1Cl ZINC000049037001 563199105 /nfs/dbraw/zinc/19/91/05/563199105.db2.gz FXICKEZXEBWTBW-UHFFFAOYSA-N 0 0 469.936 5.701 1 0 JKAFRN COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC ZINC000049037543 563199278 /nfs/dbraw/zinc/19/92/78/563199278.db2.gz OTGRWCKXTPMAJC-UHFFFAOYSA-N 0 0 475.545 5.096 1 0 JKAFRN O=C1C[C@H](c2cccc(F)c2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049046815 563199434 /nfs/dbraw/zinc/19/94/34/563199434.db2.gz QUYRRBBIPJEXPS-XMMPIXPASA-N 0 0 464.323 7.568 1 0 JKAFRN COc1ccc(/C=C/CN2CCN(C(=O)CCCCC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000049048583 563199666 /nfs/dbraw/zinc/19/96/66/563199666.db2.gz WAGKNCTULDCRRT-ZHACJKMWSA-N 0 0 482.668 6.245 1 0 JKAFRN Nc1ccc(-c2cnn3c2nccc3-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cn1 ZINC000049048587 563199744 /nfs/dbraw/zinc/19/97/44/563199744.db2.gz UXQZKYRXGWLYAD-UHFFFAOYSA-N 0 0 474.446 5.312 1 0 JKAFRN O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CO ZINC000049049535 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563210436 /nfs/dbraw/zinc/21/04/36/563210436.db2.gz XWVNEMMIHQVZTA-SFHVURJKSA-N 0 0 451.954 5.146 3 0 JKAFRN CC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O3)c1 ZINC000061907072 563210572 /nfs/dbraw/zinc/21/05/72/563210572.db2.gz QDBAYFZKRMYLKU-FQEVSTJZSA-N 0 0 460.839 5.566 3 0 JKAFRN O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2S(=O)(=O)Cc2cccc(C(F)(F)F)c2)on1 ZINC000061907413 563210655 /nfs/dbraw/zinc/21/06/55/563210655.db2.gz KCQDFSJXZAXIIS-FQEVSTJZSA-N 0 0 493.507 5.003 3 0 JKAFRN O=C(CCCc1ccccc1)N1CCC[C@@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 ZINC000061907615 563210683 /nfs/dbraw/zinc/21/06/83/563210683.db2.gz LGLVMMZNROUTCI-LJQANCHMSA-N 0 0 451.954 5.309 3 0 JKAFRN COc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(F)(F)F)c4)n3c2)cc(OC)c1OC ZINC000061907969 563210718 /nfs/dbraw/zinc/21/07/18/563210718.db2.gz MXXMXXVZMJOZNC-UHFFFAOYSA-N 0 0 471.435 5.281 3 0 JKAFRN COc1ccc(-c2cc(CNc3nc(NC(C)C)nc4cc(-c5ccccc5)sc43)on2)cc1 ZINC000061908638 563210778 /nfs/dbraw/zinc/21/07/78/563210778.db2.gz MUUGOTKUGUZFHS-UHFFFAOYSA-N 0 0 471.586 6.454 3 0 JKAFRN Cc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn32)cc1 ZINC000061921034 563210907 /nfs/dbraw/zinc/21/09/07/563210907.db2.gz GMUSXIFENQIXMT-UHFFFAOYSA-N 0 0 456.181 6.426 3 0 JKAFRN O=c1c2cc(Cl)ccc2nc2n1-c1cc3ccccc3cc1C(=O)N[C@@H]2Cc1ccccc1 ZINC000061921361 563211023 /nfs/dbraw/zinc/21/10/23/563211023.db2.gz DAWXWGIMHLYQOY-HSZRJFAPSA-N 0 0 451.913 5.220 3 0 JKAFRN CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]2(C)[C@@]2(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]3(C)[C@@H]12 ZINC000014617361 571716821 /nfs/dbraw/zinc/71/68/21/571716821.db2.gz VKGXBRHZFJRMOC-RJWOCDJCSA-N 0 0 456.755 7.794 1 0 endogenous,in-man JKAFRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@@]23C)C1(C)C ZINC000014720203 571721387 /nfs/dbraw/zinc/72/13/87/571721387.db2.gz DYTVUYVLJDSMFA-UTXDRLQZSA-N 0 0 468.766 8.596 1 0 endogenous,in-man JKAFRN 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CC1(C)C[C@H](O)[C@@]23C[C@@H](OC2=O)[C@]2(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]42C)[C@@H]3C1 ZINC000012726386 562960812 /nfs/dbraw/zinc/96/08/12/562960812.db2.gz PJICFKSSJHWPPN-AZKUYFLISA-N 0 0 470.694 5.655 3 0 JKAFRN Cc1cc(C)c(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)c(C)c1 ZINC000013028866 562961182 /nfs/dbraw/zinc/96/11/82/562961182.db2.gz BBPBEYQEPZSXDB-RUZDIDTESA-N 0 0 489.645 5.107 3 0 JKAFRN O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)N1CCc2ccccc2C1 ZINC000013123823 562961387 /nfs/dbraw/zinc/96/13/87/562961387.db2.gz SURXHCPTUKXCSZ-UHFFFAOYSA-N 0 0 496.592 5.122 1 0 aggregator JKAFRN CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013154154 562961882 /nfs/dbraw/zinc/96/18/82/562961882.db2.gz AFZFZCJOEILYSX-RUZDIDTESA-N 0 0 458.606 6.011 1 0 JKAFRN COc1cc2c(c(OC)c1)C(=O)O[C@H]2CCCCCCCCC[C@H](CCC(C)=O)OC(C)=O ZINC000013367443 562962129 /nfs/dbraw/zinc/96/21/29/562962129.db2.gz XAJJUQNPIDXCRZ-OFNKIYASSA-N 0 0 462.583 5.727 1 0 JKAFRN COc1cc(O)ccc1CC[C@@H](c1ccc(O)cc1)c1c(O)cc(O)cc1/C=C/c1ccc(O)cc1 ZINC000013404619 562962202 /nfs/dbraw/zinc/96/22/02/562962202.db2.gz VJKKCVLVWDXUQG-KDLQPQFWSA-N 0 0 484.548 6.158 1 0 JKAFRN CCCc1cccc(-c2nc3ccccc3c(=O)n2CCN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000013438282 562962595 /nfs/dbraw/zinc/96/25/95/562962595.db2.gz ZWPGIWZXXUHJCV-UHFFFAOYSA-N 0 0 483.612 5.092 1 0 JKAFRN C[C@@H](Cn1ccnc1NC#N)c1ccc(OC(F)F)c(OCCCCCc2ccccc2)c1 ZINC000013439002 562962677 /nfs/dbraw/zinc/96/26/77/562962677.db2.gz YIZJKOHNEXJBBV-IBGZPJMESA-N 0 0 454.521 5.973 1 0 JKAFRN COc1cccc(NC(=O)Cc2cccc(-n3c4cccc(Cl)c4c4noc(C)c4c3=O)c2)c1 ZINC000013439785 562962834 /nfs/dbraw/zinc/96/28/34/562962834.db2.gz BWVLQYSTVIACFO-UHFFFAOYSA-N 0 0 473.916 5.284 1 0 JKAFRN CC(C)(O)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013442113 562963547 /nfs/dbraw/zinc/96/35/47/562963547.db2.gz HNQWLGYYWOXQJT-IBGZPJMESA-N 0 0 465.443 5.125 1 0 JKAFRN [O-][n+]1ccc(C[C@@H](c2ccc(C3(O)CCC3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000013442121 562963557 /nfs/dbraw/zinc/96/35/57/562963557.db2.gz BQBXUBKPGWCNFW-FQEVSTJZSA-N 0 0 477.454 5.269 1 0 JKAFRN Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 ZINC000013442536 562963643 /nfs/dbraw/zinc/96/36/43/562963643.db2.gz JCWLOOOEFZTTNG-UHFFFAOYSA-N 0 0 477.609 6.299 1 0 JKAFRN CCCCOc1ccc(Sc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442532 562963661 /nfs/dbraw/zinc/96/36/61/562963661.db2.gz XXYYIYBSOIFUIG-UHFFFAOYSA-N 0 0 452.624 6.692 1 0 JKAFRN CC(C)OC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1 ZINC000013442526 562963685 /nfs/dbraw/zinc/96/36/85/562963685.db2.gz HMSSREQTTJYCDB-UHFFFAOYSA-N 0 0 465.554 6.111 1 0 JKAFRN CC(C)CN(CC(C)C)c1sc2c(c1C(=O)c1ccccc1Cl)CCN(C(=O)C1CC1)C2 ZINC000013442741 562963759 /nfs/dbraw/zinc/96/37/59/562963759.db2.gz OTGRDMRRASVGFK-UHFFFAOYSA-N 0 0 473.082 6.046 1 0 JKAFRN CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1 ZINC000013444606 562963987 /nfs/dbraw/zinc/96/39/87/562963987.db2.gz FFIKBIOXICZKHW-UHFFFAOYSA-N 0 0 463.043 5.391 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCc1ccccc1)C1CCCCC1 ZINC000013446281 562964179 /nfs/dbraw/zinc/96/41/79/562964179.db2.gz PANCOFAQARSQHI-ZEQRLZLVSA-N 0 0 455.639 5.498 1 0 in-vitro JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2ccccc2[nH]1 ZINC000013447007 562964287 /nfs/dbraw/zinc/96/42/87/562964287.db2.gz CUHBJSYSJYOUJS-NDEPHWFRSA-N 0 0 486.660 6.199 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(C)cc1 ZINC000013447068 562964370 /nfs/dbraw/zinc/96/43/70/562964370.db2.gz XCPYSVOYIFJBJJ-MHZLTWQESA-N 0 0 476.665 6.418 1 0 JKAFRN CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ncccc2c1 ZINC000013447030 562964392 /nfs/dbraw/zinc/96/43/92/562964392.db2.gz ZDKLZEOKUOGIJA-GDLZYMKVSA-N 0 0 498.671 6.266 1 0 JKAFRN COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2 ZINC000013455677 562965084 /nfs/dbraw/zinc/96/50/84/562965084.db2.gz WGBUMONGBSKHGZ-SFHVURJKSA-N 0 0 466.597 5.076 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1ccc([C@@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455639 562965090 /nfs/dbraw/zinc/96/50/90/562965090.db2.gz NAFZGXULKNPAAL-IBGZPJMESA-N 0 0 450.598 5.328 1 0 JKAFRN COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CC[N@H+](CCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455698 562965108 /nfs/dbraw/zinc/96/51/08/562965108.db2.gz OUHRKOHQXFEURK-HXUWFJFHSA-N 0 0 495.635 6.456 1 0 JKAFRN CNC(=O)CN1CCC2=C(C1)c1ccc([C@H](C)CCCc3ccc(F)cc3)cc1OC2(C)C ZINC000013455643 562965141 /nfs/dbraw/zinc/96/51/41/562965141.db2.gz NAFZGXULKNPAAL-LJQANCHMSA-N 0 0 450.598 5.328 1 0 JKAFRN O=C(Nc1ccc2c(c1)C[C@H](NS(=O)(=O)c1ccccc1)C2)c1ccccc1-c1ccccc1 ZINC000013471263 562965593 /nfs/dbraw/zinc/96/55/93/562965593.db2.gz PYHWTMOCTYEEAJ-XMMPIXPASA-N 0 0 468.578 5.052 1 0 JKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccc(-c2ccccc2)cc1 ZINC000013472550 562965889 /nfs/dbraw/zinc/96/58/89/562965889.db2.gz VASWDTUNMOTAEW-UHFFFAOYSA-N 0 0 456.501 6.766 1 0 JKAFRN CC(=O)O[C@@H](C(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1ccccc1 ZINC000013472552 562965915 /nfs/dbraw/zinc/96/59/15/562965915.db2.gz KIOGINCNKQGBMK-AREMUKBSSA-N 0 0 452.466 5.090 1 0 JKAFRN Nc1ncc(Cc2ccc(OCCCOc3cc(Cl)c(Cl)cc3Cl)cc2)c(N)n1 ZINC000013472744 562965990 /nfs/dbraw/zinc/96/59/90/562965990.db2.gz DALRJXBMZMHUGY-UHFFFAOYSA-N 0 0 453.757 5.040 1 0 JKAFRN O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1cccc(Oc2ccccc2)c1 ZINC000013472569 562966025 /nfs/dbraw/zinc/96/60/25/562966025.db2.gz SESFCAKZYAECOF-UHFFFAOYSA-N 0 0 472.500 6.892 1 0 JKAFRN Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCn1ccnc1 ZINC000013474174 562966580 /nfs/dbraw/zinc/96/65/80/562966580.db2.gz FMBAOXRBFLKKIH-UHFFFAOYSA-N 0 0 477.612 6.746 1 0 JKAFRN Cc1c(C(=O)NCCCCO)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000013474263 562966692 /nfs/dbraw/zinc/96/66/92/562966692.db2.gz SEPJSDDWJRTZIM-UHFFFAOYSA-N 0 0 452.769 5.310 1 0 JKAFRN COc1ccc2oc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(CCNC(C)=O)c2c1 ZINC000013474346 562966754 /nfs/dbraw/zinc/96/67/54/562966754.db2.gz MSLSZDOXNFKNFC-UHFFFAOYSA-N 0 0 459.386 5.748 1 0 JKAFRN CCCc1c(C(=O)OCC)c2c(ccc3c2CN2CCc4cc(SC)ccc4[C@H]2O3)n1C ZINC000013474846 562966886 /nfs/dbraw/zinc/96/68/86/562966886.db2.gz GCLKZSBEVYSDDQ-RUZDIDTESA-N 0 0 450.604 5.479 1 0 JKAFRN CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2[C@@H]1O3 ZINC000013474855 562966904 /nfs/dbraw/zinc/96/69/04/562966904.db2.gz PUYDWHDEVFRQHJ-MHZLTWQESA-N 0 0 462.590 5.925 1 0 JKAFRN COc1cc(CNC(=O)[C@@H]2C[C@]2(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)ccc1O ZINC000013475573 562966938 /nfs/dbraw/zinc/96/69/38/562966938.db2.gz OTLLMFQRSOBYEX-TYIRCOKMSA-N 0 0 459.715 7.482 1 0 JKAFRN O=C(NCCCCc1ccccc1)[C@H]1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)=NO1 ZINC000013478553 562967261 /nfs/dbraw/zinc/96/72/61/562967261.db2.gz SCIDQPDXTAHHPD-LJQANCHMSA-N 0 0 458.402 5.356 3 0 JKAFRN CCC[C@@H](C)n1c(CC)nc2c1nccc2-c1ccc(OCC(=O)OCC)nc1C(F)(F)F ZINC000013487166 562967607 /nfs/dbraw/zinc/96/76/07/562967607.db2.gz KDWIFCCGBCCCBD-CQSZACIVSA-N 0 0 464.488 5.378 1 0 JKAFRN COC(=O)c1cc(-c2c(F)cccc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487109 562967609 /nfs/dbraw/zinc/96/76/09/562967609.db2.gz HXXMMAPKVWPAJY-UHFFFAOYSA-N 0 0 463.267 6.087 1 0 JKAFRN COC(=O)c1cc(-c2ccc(F)cc2F)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487108 562967624 /nfs/dbraw/zinc/96/76/24/562967624.db2.gz WHISBCGJLLBHTQ-UHFFFAOYSA-N 0 0 463.267 6.087 1 0 JKAFRN COC(=O)c1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 ZINC000013487099 562967633 /nfs/dbraw/zinc/96/76/33/562967633.db2.gz RLDJGFCTZBODEW-UHFFFAOYSA-N 0 0 461.732 6.462 1 0 JKAFRN O=C(Nc1ccc(O)cc1C(=O)Nc1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000013487484 562967778 /nfs/dbraw/zinc/96/77/78/562967778.db2.gz ZICRHOIDBXHVQZ-UHFFFAOYSA-N 0 0 457.338 6.418 1 0 JKAFRN CCOc1ccc(NC(=O)c2cc(C)ccc2NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000013487470 562967797 /nfs/dbraw/zinc/96/77/97/562967797.db2.gz CIEOMUPSYPYEDG-UHFFFAOYSA-N 0 0 464.974 6.766 1 0 JKAFRN Nc1ccc(-c2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013487962 562967971 /nfs/dbraw/zinc/96/79/71/562967971.db2.gz RGBHMNDYUQZHBN-NDEPHWFRSA-N 0 0 477.520 5.527 1 0 JKAFRN Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4cn(C)c5cccc3c45)cc2)cc1 ZINC000013487947 562967993 /nfs/dbraw/zinc/96/79/93/562967993.db2.gz DNYLUQFAZCTBCG-UHFFFAOYSA-N 0 0 499.614 6.999 1 0 JKAFRN CCOc1cc2nc(Cn3ccnc3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC ZINC000013490834 562969345 /nfs/dbraw/zinc/96/93/45/562969345.db2.gz RKLPKDNPVXSSSC-UHFFFAOYSA-N 0 0 486.601 5.848 1 0 JKAFRN CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1 ZINC000013490952 562969394 /nfs/dbraw/zinc/96/93/94/562969394.db2.gz XERLASHNAPKEEL-UHFFFAOYSA-N 0 0 457.408 6.672 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1 ZINC000013492665 562969863 /nfs/dbraw/zinc/96/98/63/562969863.db2.gz DTWIWINSMXUYHB-UHFFFAOYSA-N 0 0 456.417 5.479 1 0 JKAFRN O=C(c1ccc(-c2ccccc2)o1)N1Cc2c([nH]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000013493094 562970118 /nfs/dbraw/zinc/97/01/18/562970118.db2.gz GKNAJAOZNBXBGJ-MHZLTWQESA-N 0 0 476.488 5.262 1 0 JKAFRN Cc1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493097 562970125 /nfs/dbraw/zinc/97/01/25/562970125.db2.gz RQRLCVYSQMPRIU-MUUNZHRXSA-N 0 0 490.515 5.571 1 0 JKAFRN Cc1ccc(-c2ccc(C(=O)N3Cc4c([nH]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493096 562970189 /nfs/dbraw/zinc/97/01/89/562970189.db2.gz RQRLCVYSQMPRIU-NDEPHWFRSA-N 0 0 490.515 5.571 1 0 JKAFRN O=C(NCc1ccccc1-c1ccccc1C(=O)NCc1ccc(F)cc1F)OCc1ccccc1 ZINC000013493163 562970250 /nfs/dbraw/zinc/97/02/50/562970250.db2.gz QVORWRQIAHBWOE-UHFFFAOYSA-N 0 0 486.518 5.988 1 0 JKAFRN C[C@@H](CC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1 ZINC000013493173 562970255 /nfs/dbraw/zinc/97/02/55/562970255.db2.gz BXOMSSZQDYWGJB-QHCPKHFHSA-N 0 0 477.608 5.531 1 0 JKAFRN Cc1cccc(CNC(=O)OCc2ccccc2)c1-c1c(C)cccc1C(=O)NCCc1ccccn1 ZINC000013493174 562970259 /nfs/dbraw/zinc/97/02/59/562970259.db2.gz FYIDUMMKLNXSFF-UHFFFAOYSA-N 0 0 493.607 5.764 1 0 JKAFRN O=C(NCc1cccc2ccccc21)Nc1cccc(NC(=O)NCc2cccc3ccccc32)c1 ZINC000013493773 562970288 /nfs/dbraw/zinc/97/02/88/562970288.db2.gz GOPCYFIURGKXJJ-UHFFFAOYSA-N 0 0 474.564 6.636 1 0 JKAFRN Cc1ccc(S(=O)(=O)Nc2cccc(OCCN(C(=O)OC(C)(C)C)c3ccncc3)c2)cc1 ZINC000013494034 562970406 /nfs/dbraw/zinc/97/04/06/562970406.db2.gz CFLPGOJWIRXDHQ-UHFFFAOYSA-N 0 0 483.590 5.011 1 0 JKAFRN CC(C)(O)c1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC3CCC3)c2)cc1 ZINC000013521176 562970885 /nfs/dbraw/zinc/97/08/85/562970885.db2.gz AVXCMHNTBOYIOT-QHCPKHFHSA-N 0 0 469.528 5.455 1 0 JKAFRN CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C(F)(F)F)Oc1ccc(F)cc1-3 ZINC000013527246 562971783 /nfs/dbraw/zinc/97/17/83/562971783.db2.gz KRGHYOHPNZAIEO-FMCGGJTJSA-N 0 0 451.463 8.009 1 0 JKAFRN CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1cccc3ccccc31)n1nc(-c3ccco3)nc21 ZINC000013527375 562971787 /nfs/dbraw/zinc/97/17/87/562971787.db2.gz NVIJFOMRABGFQA-UHFFFAOYSA-N 0 0 479.544 5.115 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)cc(OCc3ccc(Cl)cc3)oc2=O)cc1 ZINC000013528610 562971888 /nfs/dbraw/zinc/97/18/88/562971888.db2.gz JGIGIZVOSRGOBN-UHFFFAOYSA-N 0 0 466.942 5.610 1 0 JKAFRN CCC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013528427 562971897 /nfs/dbraw/zinc/97/18/97/562971897.db2.gz JMUFHCWGWYACID-ABVQJPPXSA-N 0 0 459.715 5.548 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc32)CC1 ZINC000013528851 562971975 /nfs/dbraw/zinc/97/19/75/562971975.db2.gz VNFPJNRINGAMEJ-UHFFFAOYSA-N 0 0 492.501 6.400 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2nnc(Cl)c3ccccc32)CC1 ZINC000013528872 562972005 /nfs/dbraw/zinc/97/20/05/562972005.db2.gz OZOJGPUOXBKWKA-UHFFFAOYSA-N 0 0 459.937 5.430 1 0 JKAFRN CC(C)O[C@@H](C)c1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530136 562972137 /nfs/dbraw/zinc/97/21/37/562972137.db2.gz QQQCFJRJCXLFAU-KRWDZBQOSA-N 0 0 454.570 5.478 1 0 JKAFRN CCC(CC)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530106 562972139 /nfs/dbraw/zinc/97/21/39/562972139.db2.gz WPYRVVJBAXEONQ-UHFFFAOYSA-N 0 0 468.597 5.697 1 0 JKAFRN CC[C@@H](C)OCc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 ZINC000013530094 562972145 /nfs/dbraw/zinc/97/21/45/562972145.db2.gz PHSZEFBOTLZUMM-QGZVFWFLSA-N 0 0 454.570 5.307 1 0 JKAFRN CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3ccncc3)c2)cc2c(Cl)n[nH]c21 ZINC000013531397 562972214 /nfs/dbraw/zinc/97/22/14/562972214.db2.gz FSEOGVZURXHECV-UHFFFAOYSA-N 0 0 455.971 5.147 1 0 JKAFRN CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3cccc(CCO)c3)c2)cc2c(Cl)n[nH]c21 ZINC000013531426 562972217 /nfs/dbraw/zinc/97/22/17/562972217.db2.gz NUXWDZMHXKXNSQ-UHFFFAOYSA-N 0 0 499.036 5.287 1 0 JKAFRN Cc1cc(-c2cccc(S(=O)(=O)Nc3cc4c(Cl)n[nH]c4c(NCC(C)C)c3)c2)ccn1 ZINC000013531394 562972281 /nfs/dbraw/zinc/97/22/81/562972281.db2.gz PPEKMCUUWOJPKO-UHFFFAOYSA-N 0 0 469.998 5.455 1 0 JKAFRN Cc1cc(-c2cccc(S(=O)(=O)Nc3cc4c(Cl)n[nH]c4c(NCC(C)C)c3)c2)ccc1F ZINC000013531409 562972283 /nfs/dbraw/zinc/97/22/83/562972283.db2.gz ITMLFPQURMGHPP-UHFFFAOYSA-N 0 0 487.000 6.200 1 0 JKAFRN CCc1cccc(-c2cccc(S(=O)(=O)Nc3cc4c(C)[nH]nc4c(NCC(C)C)c3)c2)c1 ZINC000013531429 562972287 /nfs/dbraw/zinc/97/22/87/562972287.db2.gz DLLSZNVPIJKFHC-UHFFFAOYSA-N 0 0 462.619 5.969 1 0 JKAFRN Cc1cc(C)c(NC(=O)c2ccc3[nH]c(=NC(=O)OC(C)(C)C)sc3c2)c(C)c1Br ZINC000013533862 562972383 /nfs/dbraw/zinc/97/23/83/562972383.db2.gz IKTXSUMFLFBRDM-UHFFFAOYSA-N 0 0 490.423 6.583 1 0 JKAFRN Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCc3ccc(F)cc3)sc2c1 ZINC000013534077 562972417 /nfs/dbraw/zinc/97/24/17/562972417.db2.gz LJQQMEVSLQVGJR-UHFFFAOYSA-N 0 0 468.941 5.971 1 0 JKAFRN CC[C@H](NC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1)c1ccccc1 ZINC000013534060 562972429 /nfs/dbraw/zinc/97/24/29/562972429.db2.gz NGFDDWYJIWZAEU-IBGZPJMESA-N 0 0 479.005 6.783 1 0 JKAFRN O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2 ZINC000013534372 562972496 /nfs/dbraw/zinc/97/24/96/562972496.db2.gz DOSHKUUCMXQODO-UHFFFAOYSA-N 0 0 494.466 5.897 1 0 JKAFRN O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2 ZINC000013534393 562972531 /nfs/dbraw/zinc/97/25/31/562972531.db2.gz LFQZHAKGDXWDRR-ONEGZZNKSA-N 0 0 492.450 5.673 1 0 JKAFRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncnc3cc(F)c(F)cc32)CC1 ZINC000013538372 562972928 /nfs/dbraw/zinc/97/29/28/562972928.db2.gz PSVGRAFQKMMMBG-UHFFFAOYSA-N 0 0 461.472 5.054 1 0 JKAFRN COCCOc1cc2c(cc1OC)Nc1ncnc(Nc3cc(OC)c(Cl)cc3Cl)c1C2 ZINC000013538130 562972941 /nfs/dbraw/zinc/97/29/41/562972941.db2.gz GDVOPRBRIBSWIY-UHFFFAOYSA-N 0 0 477.348 5.217 1 0 JKAFRN CCCCN(CCc1ccccn1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c21 ZINC000013553443 562973313 /nfs/dbraw/zinc/97/33/13/562973313.db2.gz VWEMEIISYUXVEQ-UHFFFAOYSA-N 0 0 468.432 6.495 1 0 JKAFRN CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013555216 562973635 /nfs/dbraw/zinc/97/36/35/562973635.db2.gz ZCSBZHLCTWWHTH-UHFFFAOYSA-N 0 0 469.769 5.377 1 0 JKAFRN O=C(c1cnc(Cl)nc1C(F)(F)F)N(Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000013555190 562973653 /nfs/dbraw/zinc/97/36/53/562973653.db2.gz OPTIOIOLPFOMBK-UHFFFAOYSA-N 0 0 460.670 6.303 1 0 JKAFRN COP(=O)(OC)c1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556742 562973771 /nfs/dbraw/zinc/97/37/71/562973771.db2.gz FGTHGJYGNQICNP-QHCPKHFHSA-N 0 0 473.531 5.455 1 0 JKAFRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@](O)(CN(CC5CCCCC5)C(=O)C5CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000013558685 562974419 /nfs/dbraw/zinc/97/44/19/562974419.db2.gz DLLREIWLLMTHBG-FGPHBKPNSA-N 0 0 483.737 6.148 1 0 JKAFRN CCCCCCN(CCCCCC)C(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000013560050 562975175 /nfs/dbraw/zinc/97/51/75/562975175.db2.gz RGUOOELDJCFEAS-UHFFFAOYSA-N 0 0 467.053 7.660 1 0 JKAFRN O=C(Nc1ccc2c(C=Cc3ccc4cc(Cl)ccc4n3)cccc2c1)Oc1ccccc1 ZINC000013560091 562975192 /nfs/dbraw/zinc/97/51/92/562975192.db2.gz AAVILCDUPZKHQQ-FMIVXFBMSA-N 0 0 450.925 7.823 1 0 JKAFRN CCCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2c(-c3nn[nH]n3)cnc3ccccc32)cc1 ZINC000013560859 562975537 /nfs/dbraw/zinc/97/55/37/562975537.db2.gz NAVHJQODVJWWPY-UHFFFAOYSA-N 0 0 474.572 5.444 1 0 JKAFRN CCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c(=O)o2)cc1 ZINC000013581314 562975802 /nfs/dbraw/zinc/97/58/02/562975802.db2.gz UBVMIZBRIVTXCS-UHFFFAOYSA-N 0 0 464.514 5.582 1 0 JKAFRN CCN(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn21 ZINC000013583173 562976081 /nfs/dbraw/zinc/97/60/81/562976081.db2.gz YZRJWKRUEGLHMO-UHFFFAOYSA-N 0 0 483.447 6.116 1 0 JKAFRN Cc1cnc2n1[C@@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013584249 562976235 /nfs/dbraw/zinc/97/62/35/562976235.db2.gz JCZHZSQAEMZHAT-FQEVSTJZSA-N 0 0 465.178 5.897 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12 ZINC000013585188 562976293 /nfs/dbraw/zinc/97/62/93/562976293.db2.gz MYRDTGBYXRPRII-UHFFFAOYSA-N 0 0 463.752 5.231 1 0 JKAFRN CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N(C)C)cc3)[nH]c(=O)c12 ZINC000013585193 562976302 /nfs/dbraw/zinc/97/63/02/562976302.db2.gz LNHVIDCEVQNJTK-UHFFFAOYSA-N 0 0 476.795 5.288 1 0 JKAFRN COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccccc4)n3)c2)CCOCC1 ZINC000013585658 562976380 /nfs/dbraw/zinc/97/63/80/562976380.db2.gz KJSXZRPNUTVPIS-UHFFFAOYSA-N 0 0 458.533 5.910 1 0 JKAFRN O=C([O-])c1ccccc1OCC[NH+]1CCC(c2cn(Cc3ccoc3)c3cc(F)ccc23)CC1 ZINC000013586283 562976546 /nfs/dbraw/zinc/97/65/46/562976546.db2.gz XUJYHTDMGGZORQ-UHFFFAOYSA-N 0 0 462.521 5.378 1 0 JKAFRN O=C([O-])c1cccc(C[NH+]2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 ZINC000013586287 562976552 /nfs/dbraw/zinc/97/65/52/562976552.db2.gz KOKZGSUQOORKGT-UHFFFAOYSA-N 0 0 465.018 6.482 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@]2(N(C)C(=O)OCC(C)C)CCc3cccc(OC)c3C2)cc1 ZINC000013586600 562976663 /nfs/dbraw/zinc/97/66/63/562976663.db2.gz KKCWWVHNSBBMSH-NDEPHWFRSA-N 0 0 481.637 5.132 1 0 JKAFRN CCc1cc(C[NH+]2CC(C(=O)[O-])C2)ccc1OCc1cc(-c2ccccc2)c(C(F)(F)F)s1 ZINC000013586608 562976673 /nfs/dbraw/zinc/97/66/73/562976673.db2.gz CVKVCJXTRKKPRQ-UHFFFAOYSA-N 0 0 475.532 6.092 1 0 JKAFRN O=C([O-])[C@@H]1CC[N@H+](Cc2ccc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)cc2)C1 ZINC000013586602 562976696 /nfs/dbraw/zinc/97/66/96/562976696.db2.gz BPANWCJVYBGZFM-GOSISDBHSA-N 0 0 461.505 5.919 1 0 JKAFRN O=C([O-])C1C[NH+](Cc2ccc(-c3noc(-c4cc(-c5ccccc5)c(C(F)(F)F)s4)n3)cc2)C1 ZINC000013586601 562976729 /nfs/dbraw/zinc/97/67/29/562976729.db2.gz QGDUQFMYMKUVHT-UHFFFAOYSA-N 0 0 485.487 5.667 1 0 JKAFRN CC(/C=C/C1=C(C)[C@H](n2ccnc2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc(O)cc1 ZINC000013586652 562976741 /nfs/dbraw/zinc/97/67/41/562976741.db2.gz JHEWGPADVYIQFU-XJKHIFIOSA-N 0 0 457.618 6.910 1 0 JKAFRN C[C@H](CC[S@](=N)(=O)c1ccccc1)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000013586741 562976807 /nfs/dbraw/zinc/97/68/07/562976807.db2.gz HHSUQUYVWMTWNT-ARKSFPTLSA-N 0 0 471.707 6.093 1 0 JKAFRN CCCN(CC1CC1)C(=O)c1sc(Nc2c(Cl)cc(Cl)cc2Cl)nc1C(F)(F)F ZINC000013587336 562976991 /nfs/dbraw/zinc/97/69/91/562976991.db2.gz UIAWOPLJZWQRDL-UHFFFAOYSA-N 0 0 486.774 7.128 1 0 JKAFRN Cn1cncc1[C@@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587822 562977323 /nfs/dbraw/zinc/97/73/23/562977323.db2.gz AOAQWAKHGOYQKE-NDEPHWFRSA-N 0 0 488.418 6.600 1 0 JKAFRN Cn1cncc1[C@H](c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587820 562977372 /nfs/dbraw/zinc/97/73/72/562977372.db2.gz JZRFTYGHLKQOLR-HHHXNRCGSA-N 0 0 474.391 6.426 1 0 JKAFRN Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1 ZINC000013587827 562977420 /nfs/dbraw/zinc/97/74/20/562977420.db2.gz YLWZTUJNSOKAOC-SANMLTNESA-N 0 0 476.363 5.520 1 0 JKAFRN Cn1cnnc1[C@](C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000013587825 562977462 /nfs/dbraw/zinc/97/74/62/562977462.db2.gz ARSPPFOBLHMDFX-HHHXNRCGSA-N 0 0 489.406 5.995 1 0 JKAFRN CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3cccc(C(=O)NCc4ccccc4)c3)cc2)no1 ZINC000013589523 562978042 /nfs/dbraw/zinc/97/80/42/562978042.db2.gz TXTXUCYZLZLYLX-UHFFFAOYSA-N 0 0 484.556 6.338 1 0 JKAFRN Cc1cn(Cc2ccc(Cl)cc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589729 562978188 /nfs/dbraw/zinc/97/81/88/562978188.db2.gz SCIDSYICJROITB-UHFFFAOYSA-N 0 0 460.748 5.844 1 0 JKAFRN Cc1cn(CCCc2ccccc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12 ZINC000013589724 562978192 /nfs/dbraw/zinc/97/81/92/562978192.db2.gz FZWZAVQJUANPKQ-UHFFFAOYSA-N 0 0 454.357 5.775 1 0 JKAFRN CCCCN(C)C(=O)CCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600991 562978247 /nfs/dbraw/zinc/97/82/47/562978247.db2.gz QGDYFSWAYPPTSR-MHZLTWQESA-N 0 0 471.707 7.017 1 0 JKAFRN Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1COc1cccc(CN(O)C(N)=O)c1 ZINC000013604034 562978539 /nfs/dbraw/zinc/97/85/39/562978539.db2.gz ZGXXNCDHKYNMNZ-UHFFFAOYSA-N 0 0 489.372 5.537 1 0 JKAFRN O=C1N(CC2CCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCC1 ZINC000013604439 562978590 /nfs/dbraw/zinc/97/85/90/562978590.db2.gz QZTNLTALZBMNPA-XAZDILKDSA-N 0 0 490.688 5.049 1 0 JKAFRN CN(C)c1ccc(NC(=O)c2cccnc2[S@](=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000013605245 562978691 /nfs/dbraw/zinc/97/86/91/562978691.db2.gz VTVRSJGNJSWHIU-XIFFEERXSA-N 0 0 455.583 5.297 1 0 JKAFRN Nc1nc2sc(Br)c(CNc3cc(Cl)c(-n4cccc4)c(Cl)c3)c2c(N)n1 ZINC000013606487 562978864 /nfs/dbraw/zinc/97/88/64/562978864.db2.gz BNDQSOWRPYRPJM-UHFFFAOYSA-N 0 0 484.210 5.328 1 0 JKAFRN CCCN(CCC)C(=O)[C@H](C)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607412 562978951 /nfs/dbraw/zinc/97/89/51/562978951.db2.gz CTQFEYSDQWQZTD-CQSZACIVSA-N 0 0 452.813 6.714 1 0 JKAFRN C[C@@H](C(=O)N(C)Cc1ccccc1)c1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn21 ZINC000013607420 562978952 /nfs/dbraw/zinc/97/89/52/562978952.db2.gz LVIGBEQRSIXYGL-OAHLLOKOSA-N 0 0 472.803 6.724 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3)c2cc1OC ZINC000013610126 562979259 /nfs/dbraw/zinc/97/92/59/562979259.db2.gz WEDWUMJCHQDOEH-UHFFFAOYSA-N 0 0 451.429 5.967 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3Cl)c2cc1OC ZINC000013610174 562979329 /nfs/dbraw/zinc/97/93/29/562979329.db2.gz ZJIOFIWKIMJTMZ-UHFFFAOYSA-N 0 0 485.874 6.620 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC ZINC000013610170 562979331 /nfs/dbraw/zinc/97/93/31/562979331.db2.gz NZYLXYBIWNIAGH-UHFFFAOYSA-N 0 0 469.419 6.106 1 0 JKAFRN CCCc1ccc(C(=O)Nc2ccc3c(c2)[C@](C)(c2ccccc2)CC(C)(C)N3C(C)=O)cc1 ZINC000013611364 562979342 /nfs/dbraw/zinc/97/93/42/562979342.db2.gz GUHHQHLOTUGFKQ-PMERELPUSA-N 0 0 454.614 6.733 1 0 JKAFRN CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@H](CC)c1ccc(C(F)(F)F)cc1 ZINC000013610684 562979355 /nfs/dbraw/zinc/97/93/55/562979355.db2.gz QWSWLYLJCJQOIS-LJQANCHMSA-N 0 0 466.935 6.531 1 0 JKAFRN Cc1cc2c(cccc2[N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)n1CC[NH+](C)C ZINC000013611665 562979385 /nfs/dbraw/zinc/97/93/85/562979385.db2.gz MJLYOTHQZJNIQC-UHFFFAOYSA-N 0 0 462.040 5.489 1 0 JKAFRN Cc1c(C(=O)NN2C[C@@H]3CCC[C@H]3C2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611879 562979515 /nfs/dbraw/zinc/97/95/15/562979515.db2.gz SVSQPQKRRBNFOC-HOTGVXAUSA-N 0 0 489.834 6.185 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC000013611768 562979526 /nfs/dbraw/zinc/97/95/26/562979526.db2.gz XQIZCPRJWQBHCO-UHFFFAOYSA-N 0 0 474.051 5.954 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2[nH]cc(CC[NH+]3CCCC3)c2c1 ZINC000013611750 562979530 /nfs/dbraw/zinc/97/95/30/562979530.db2.gz HIGZEHKSXXYSGV-UHFFFAOYSA-N 0 0 474.051 5.784 1 0 JKAFRN Cc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000013611886 562979626 /nfs/dbraw/zinc/97/96/26/562979626.db2.gz UEZSMNDTKLDUHX-UHFFFAOYSA-N 0 0 476.835 7.261 1 0 JKAFRN O=C(Nc1ccccc1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634828 562979926 /nfs/dbraw/zinc/97/99/26/562979926.db2.gz VBKGDWIAMVLPBK-BWKNWUBXSA-N 0 0 494.385 5.511 3 0 JKAFRN O=C(Nc1ccccc1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013634938 562979938 /nfs/dbraw/zinc/97/99/38/562979938.db2.gz VTJDICLTSJPXBA-BWKNWUBXSA-N 0 0 483.486 5.767 3 0 JKAFRN O=C(Nc1ccccc1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013635025 562979943 /nfs/dbraw/zinc/97/99/43/562979943.db2.gz VTJDICLTSJPXBA-SQJMNOBHSA-N 0 0 483.486 5.767 3 0 JKAFRN CCCC(CCC)N1CCc2cn(-c3ccc(S(C)(=O)=O)cc3Cl)c3nc(C)cc1c23 ZINC000013645744 562980701 /nfs/dbraw/zinc/98/07/01/562980701.db2.gz QEJFIWGXHHJEEF-UHFFFAOYSA-N 0 0 460.043 5.722 1 0 JKAFRN CC(C)[N@H+](C)Cc1cccc(-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2CC(=O)N(C)C)c1 ZINC000013646681 562980736 /nfs/dbraw/zinc/98/07/36/562980736.db2.gz UDFRNEIVASONOX-UHFFFAOYSA-N 0 0 489.660 5.983 1 0 JKAFRN CN(C)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(C[NH+](C)C)cc1 ZINC000013646673 562980757 /nfs/dbraw/zinc/98/07/57/562980757.db2.gz YVVYDYHJKOXXTB-UHFFFAOYSA-N 0 0 461.606 5.204 1 0 JKAFRN CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCC2)c1-c1ccccc1 ZINC000013646648 562980785 /nfs/dbraw/zinc/98/07/85/562980785.db2.gz JHYHVDRJIABSCO-NRFANRHFSA-N 0 0 487.644 5.464 1 0 JKAFRN C[NH+](C)C1CCN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2C2CCCCC2)CC1 ZINC000013646662 562980802 /nfs/dbraw/zinc/98/08/02/562980802.db2.gz UIQOIFPJTWFZTA-UHFFFAOYSA-N 0 0 493.692 5.988 1 0 JKAFRN C[C@@H]1Cc2c(F)c(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C\I)[C@H]12 ZINC000013651623 562981696 /nfs/dbraw/zinc/98/16/96/562981696.db2.gz JFUXMQIYWCLHHZ-KDWCCPSCSA-N 0 0 456.339 5.313 1 0 JKAFRN C[C@@H]1Cc2cc(O)c(F)cc2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)/C=C/I)[C@H]12 ZINC000013651616 562981722 /nfs/dbraw/zinc/98/17/22/562981722.db2.gz TUGURFJMWCLAPD-IRSFINFRSA-N 0 0 456.339 5.313 1 0 JKAFRN COc1ccc(C2(c3ccc(OC)cc3)Sc3ccc(C(F)(F)F)cc3-n3cccc32)cc1 ZINC000013651989 562981826 /nfs/dbraw/zinc/98/18/26/562981826.db2.gz MDSCXTNAHUNHTJ-UHFFFAOYSA-N 0 0 467.512 6.911 1 0 JKAFRN CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](c2csc3ccccc32)[C@H]1CCCO ZINC000013656755 562981870 /nfs/dbraw/zinc/98/18/70/562981870.db2.gz NBIHRGRKTZYHIT-YZIHRLCOSA-N 0 0 457.636 5.443 3 0 JKAFRN CCO[C@@H]1OC(C(=O)N2CCCCCCC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656829 562981890 /nfs/dbraw/zinc/98/18/90/562981890.db2.gz GCYDAQYTXSKWPU-PQNGQFLHSA-N 0 0 469.544 5.247 3 0 JKAFRN CN(C[C@H](Cc1ccccc1)N(C[C@H](CC1CCCCC1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000013659550 562982045 /nfs/dbraw/zinc/98/20/45/562982045.db2.gz RZMVAKXWRLAOJS-SVBPBHIXSA-N 0 0 494.640 5.759 3 0 JKAFRN Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(C)CC(c2ccc(OC(F)(F)F)cc2)=NO1 ZINC000013660386 562982074 /nfs/dbraw/zinc/98/20/74/562982074.db2.gz VSUKHJKFPICFEG-FQEVSTJZSA-N 0 0 452.885 6.710 3 0 JKAFRN CCOCc1c2ccccc2oc1C(=O)NC1=C(C(=O)OCC)C(CC)=Nc2ccccc2N1 ZINC000013660962 562982176 /nfs/dbraw/zinc/98/21/76/562982176.db2.gz ALBGZIDOKVEHKC-UHFFFAOYSA-N 0 0 461.518 5.082 1 0 JKAFRN CN1[C@H]2c3nc4cc(Cl)c(Cl)cc4n3C[C@H]2C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000013660697 562982188 /nfs/dbraw/zinc/98/21/88/562982188.db2.gz DWPHVFHBOFQVPZ-ZUSMLRIVSA-N 0 0 483.321 5.053 3 0 JKAFRN COc1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000013661851 562982373 /nfs/dbraw/zinc/98/23/73/562982373.db2.gz SMKIVOGOMKHMBF-YLHMUXNLSA-N 0 0 471.572 6.422 3 0 JKAFRN CC(=O)c1ccc(-c2ccc([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661848 562982411 /nfs/dbraw/zinc/98/24/11/562982411.db2.gz GDNABKMETNTYLN-APIPQOKDSA-N 0 0 453.557 6.607 3 0 JKAFRN CN(C)c1ccc(-c2ccc([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013661833 562982414 /nfs/dbraw/zinc/98/24/14/562982414.db2.gz RNSVQPULNZUMAP-BTIIJPOSSA-N 0 0 454.589 6.615 3 0 JKAFRN CCCCCCO[C@]1(Cc2ccccc2)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000013671529 562982484 /nfs/dbraw/zinc/98/24/84/562982484.db2.gz YCOJNRQQLLTKFB-ITVDANFRSA-N 0 0 464.734 8.177 1 0 JKAFRN CCCOC(=O)c1c(CCC)c(C(=O)SC[C@@H]2COC(C)(C)O2)c(CC)nc1-c1ccccc1 ZINC000013672377 562982683 /nfs/dbraw/zinc/98/26/83/562982683.db2.gz SEHBJXVCUPJQQS-IBGZPJMESA-N 0 0 485.646 5.855 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(SC)cc2)[C@H]1O ZINC000013673012 562982807 /nfs/dbraw/zinc/98/28/07/562982807.db2.gz YJWMHOWXUPHHIQ-CLJLJLNGSA-N 0 0 489.747 6.121 1 0 JKAFRN CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc3ccccc32)[C@H]1O ZINC000013673050 562982832 /nfs/dbraw/zinc/98/28/32/562982832.db2.gz BCDWKDBVJCVVOT-FQLXRVMXSA-N 0 0 493.713 6.553 1 0 JKAFRN Cc1cccc(NC(=O)Nc2ccc(-c3c(Cc4cccnc4)sc4ncnc(N)c43)cc2)c1 ZINC000013673666 562982941 /nfs/dbraw/zinc/98/29/41/562982941.db2.gz KNXNQDZKPNJJEY-UHFFFAOYSA-N 0 0 466.570 5.879 1 0 JKAFRN O=C(Nc1cc(CO)cc(CO)c1)c1nc(-c2ccc3ccccc3c2)[nH]c1CC1CCCCCC1 ZINC000013674680 562983051 /nfs/dbraw/zinc/98/30/51/562983051.db2.gz LJPOVRFPXRICEZ-UHFFFAOYSA-N 0 0 483.612 5.980 1 0 JKAFRN CCCCCCc1ccc(O)cc1OCCCCCCCCCCC(=O)Nc1ccc(O)cc1 ZINC000013676058 562983258 /nfs/dbraw/zinc/98/32/58/562983258.db2.gz SBZUBYZOOZUSIW-UHFFFAOYSA-N 0 0 469.666 7.749 1 0 JKAFRN CCCCCc1cc(O)cc(OCCCCCCCCCCC(=O)Nc2ccc(O)cc2)c1 ZINC000013676005 562983261 /nfs/dbraw/zinc/98/32/61/562983261.db2.gz GQUAMONQHZIZKG-UHFFFAOYSA-N 0 0 455.639 7.359 1 0 JKAFRN CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NC2CC2)c1 ZINC000013676008 562983269 /nfs/dbraw/zinc/98/32/69/562983269.db2.gz ZCFMDXLPNKCBKT-UHFFFAOYSA-N 0 0 473.742 8.244 1 0 JKAFRN CCCCCc1cc(O)cc(OCCCCCCCCCCCCCCCC(=O)NCCO)c1 ZINC000013676007 562983286 /nfs/dbraw/zinc/98/32/86/562983286.db2.gz DJYFFLMDZIXFAH-UHFFFAOYSA-N 0 0 477.730 7.074 1 0 JKAFRN Cc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCCc2cc(Cl)ccc2-3)cc1 ZINC000013676074 562983360 /nfs/dbraw/zinc/98/33/60/562983360.db2.gz ADAPNBZDCCCWBS-UHFFFAOYSA-N 0 0 496.825 7.549 1 0 JKAFRN O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1ccccc1-2 ZINC000013676085 562983363 /nfs/dbraw/zinc/98/33/63/562983363.db2.gz QOVHZRLVLYCCSG-UHFFFAOYSA-N 0 0 455.389 5.466 1 0 JKAFRN COc1cc(CSc2nc(Cc3c(Cl)cccc3Cl)c(C)c(=O)[nH]2)cc(OC)c1 ZINC000013677570 562983636 /nfs/dbraw/zinc/98/36/36/562983636.db2.gz BKAKSNZVQCDYRT-UHFFFAOYSA-N 0 0 451.375 5.285 1 0 JKAFRN COc1cc(NC(=O)c2cc3cccc(OC)c3o2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000013682480 562984144 /nfs/dbraw/zinc/98/41/44/562984144.db2.gz LUXBDLLYIILQHO-UHFFFAOYSA-N 0 0 484.430 5.973 3 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3)c2cc1OC ZINC000013684372 562984350 /nfs/dbraw/zinc/98/43/50/562984350.db2.gz JAXRQZOMEYHMHJ-UHFFFAOYSA-N 0 0 493.972 5.825 1 0 JKAFRN COCO[C@H]([C@@H](C)C=C(Br)Br)[C@@H](C)COCc1ccc(OC)cc1 ZINC000013828846 562999033 /nfs/dbraw/zinc/99/90/33/562999033.db2.gz JBAMIEVIFBIOJO-SUNYJGFJSA-N 0 0 466.210 5.104 1 0 JKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(C(=O)OC)ccc2n1 ZINC000013728676 562985045 /nfs/dbraw/zinc/98/50/45/562985045.db2.gz VAWKMQAKEHQCPA-UHFFFAOYSA-N 0 0 465.513 5.010 1 0 JKAFRN CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(C(F)(F)F)ccc2n1 ZINC000013728673 562985077 /nfs/dbraw/zinc/98/50/77/562985077.db2.gz FSMIVVJHYQWUQU-UHFFFAOYSA-N 0 0 475.474 6.242 1 0 JKAFRN COC(=O)[C@H]1Cc2c(cccc2-c2ccc(OC)cc2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000013731616 562985231 /nfs/dbraw/zinc/98/52/31/562985231.db2.gz DTIJMNOQSLLVPR-GDLZYMKVSA-N 0 0 491.587 5.621 1 0 JKAFRN CCCc1nc2c(cc(-c3ccccn3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013732084 562985296 /nfs/dbraw/zinc/98/52/96/562985296.db2.gz LAWAYKLMVNQNNS-UHFFFAOYSA-N 0 0 485.595 6.255 1 0 JKAFRN CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(Nc3ccccc3)c2)C1=O ZINC000013732937 562985549 /nfs/dbraw/zinc/98/55/49/562985549.db2.gz PBDYWZQYCKEXIQ-MHZLTWQESA-N 0 0 475.552 5.392 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1c2ccccc2COc2ccc(C(=O)N(C)C)cc21 ZINC000013735254 562985828 /nfs/dbraw/zinc/98/58/28/562985828.db2.gz LPFPARFZKWQEGO-HHHXNRCGSA-N 0 0 470.613 6.298 1 0 JKAFRN COc1ccc(-c2nc(CNC(=O)CSc3ccccc3)sc2-c2ccc(OC)cc2)cc1 ZINC000013735819 562985842 /nfs/dbraw/zinc/98/58/42/562985842.db2.gz VHTQLHGCOZFBSU-UHFFFAOYSA-N 0 0 476.623 5.903 1 0 JKAFRN CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000013737194 562986028 /nfs/dbraw/zinc/98/60/28/562986028.db2.gz XDFCQOXZWOEOFF-GDLZYMKVSA-N 0 0 493.651 7.379 1 0 JKAFRN Cc1ccc(C(=O)N[C@H](CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2)cc1 ZINC000013737178 562986035 /nfs/dbraw/zinc/98/60/35/562986035.db2.gz IXYZVIMNGQLBLC-AREMUKBSSA-N 0 0 457.618 6.535 1 0 JKAFRN O=C([O-])[C@H]1CCC[N@H+](CCOC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000013737902 562986346 /nfs/dbraw/zinc/98/63/46/562986346.db2.gz GTKDQZXNADEHML-IBGZPJMESA-N 0 0 469.503 5.209 1 0 JKAFRN Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(Cc2cncc(Br)c2)CC1 ZINC000013738234 562986451 /nfs/dbraw/zinc/98/64/51/562986451.db2.gz KURYPMVCSCLKPM-UHFFFAOYSA-N 0 0 480.837 6.089 1 0 JKAFRN O=C(c1cncc(Br)c1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000013738244 562986497 /nfs/dbraw/zinc/98/64/97/562986497.db2.gz DOHDWQMMBWROBB-UHFFFAOYSA-N 0 0 494.820 5.729 1 0 JKAFRN CCC(=O)c1c[nH]c([C@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)n1 ZINC000013738582 562986515 /nfs/dbraw/zinc/98/65/15/562986515.db2.gz DPECAGOZWVVRQT-UMFSSWHCSA-N 0 0 491.632 5.216 1 0 JKAFRN COC(=O)c1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 ZINC000013738239 562986537 /nfs/dbraw/zinc/98/65/37/562986537.db2.gz ZRHLFYRIEPVVBV-UHFFFAOYSA-N 0 0 459.977 5.113 1 0 JKAFRN COc1ccc(CC2=C(c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000013740972 562987002 /nfs/dbraw/zinc/98/70/02/562987002.db2.gz RYEVVTBWAHSOKY-VWLOTQADSA-N 0 0 471.336 5.409 1 0 JKAFRN COc1ccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)c2cccc(OC)c2)cc1 ZINC000013741242 562987066 /nfs/dbraw/zinc/98/70/66/562987066.db2.gz SZYJQTINVNWIFZ-NDEPHWFRSA-N 0 0 451.566 5.936 1 0 JKAFRN COc1ccc2c(c1NC(=O)C(C)(C)CCCCCCOc1ccc(Cl)cc1)OCCC2=O ZINC000013742722 562987591 /nfs/dbraw/zinc/98/75/91/562987591.db2.gz MUTSNABKWSDCTB-UHFFFAOYSA-N 0 0 473.997 6.308 1 0 JKAFRN Cc1ccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)c2ccccc2)cc1C ZINC000013744143 562987806 /nfs/dbraw/zinc/98/78/06/562987806.db2.gz DPCYTDUQJLVHDB-SMSORMJASA-N 0 0 483.612 5.890 1 0 JKAFRN Cc1ccc(COC(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)c2ccccc2)c(F)c1 ZINC000013744138 562987832 /nfs/dbraw/zinc/98/78/32/562987832.db2.gz UKNNCAVVVDVTHP-AFJIDDCJSA-N 0 0 487.575 5.720 1 0 JKAFRN CCCC(CCC)C(=O)C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000013746900 562988294 /nfs/dbraw/zinc/98/82/94/562988294.db2.gz ZRTOCHSPKNRJKX-WDDWZANVSA-N 0 0 481.589 5.051 1 0 JKAFRN Cc1ccc(OCCCCCCC(C)(C)C(=O)Nc2c3c(c(C)cc2C)CC(C)(C)O3)cc1 ZINC000013747653 562988448 /nfs/dbraw/zinc/98/84/48/562988448.db2.gz NWMVWWHAPPQSFX-UHFFFAOYSA-N 0 0 451.651 7.320 1 0 JKAFRN CC(C)[C@@H](OC(=O)N[C@](C)(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000013755610 562988544 /nfs/dbraw/zinc/98/85/44/562988544.db2.gz BDGXZMAYXTZKCG-GZWANVBQSA-N 0 0 458.602 5.989 1 0 JKAFRN FC(F)(F)c1cccc(N2CCN(c3nc4scc(-c5ccccc5)c4n4cccc34)CC2)c1 ZINC000013755983 562988545 /nfs/dbraw/zinc/98/85/45/562988545.db2.gz HEUZTEKWBIBQQP-UHFFFAOYSA-N 0 0 478.543 6.561 1 0 JKAFRN FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ncc[nH]3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757038 562988810 /nfs/dbraw/zinc/98/88/10/562988810.db2.gz HBAPMWYWEYPKLS-UNMCSNQZSA-N 0 0 483.456 6.370 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@H]5CC[C@@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759187 562989133 /nfs/dbraw/zinc/98/91/33/562989133.db2.gz CFPJLCFZZXXQLC-IMXNFQLBSA-N 0 0 492.571 6.285 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)C[C@@H]5C=C[C@H](C4)O5)c3)ccc1c2-c1ccccc1 ZINC000013759185 562989148 /nfs/dbraw/zinc/98/91/48/562989148.db2.gz NNOMGYIIDUWRIT-IMXNFQLBSA-N 0 0 490.555 6.061 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccoc1 ZINC000013759207 562989162 /nfs/dbraw/zinc/98/91/62/562989162.db2.gz SMYJOFADEABNJG-UHFFFAOYSA-N 0 0 456.494 5.347 1 0 JKAFRN CC(C)(O)c1cc2cc(OCc3cccc(C4(O)CCOCC4)c3)ccc2c(-c2ccccc2)c1 ZINC000013759154 562989176 /nfs/dbraw/zinc/98/91/76/562989176.db2.gz VOBYADWYPHDWOP-UHFFFAOYSA-N 0 0 468.593 6.311 1 0 JKAFRN O=C1OCc2c1cc1cc(OCc3cccc([C@@]4(O)CCOC(=O)C4)c3)ccc1c2-c1ccccc1 ZINC000013759142 562989178 /nfs/dbraw/zinc/98/91/78/562989178.db2.gz SVJGFLXBVLYMPZ-SSEXGKCCSA-N 0 0 480.516 5.281 1 0 JKAFRN CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br ZINC000013759983 562989374 /nfs/dbraw/zinc/98/93/74/562989374.db2.gz KHMUNJQRORAPHP-UHFFFAOYSA-N 0 0 478.649 6.878 1 0 JKAFRN CCCCN(CCCC)C(=O)C[N@@H+]1C[C@H](c2cccc(F)c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760922 562989684 /nfs/dbraw/zinc/98/96/84/562989684.db2.gz MTTTXEBCEINSRT-IEUSDUHPSA-N 0 0 484.612 5.104 1 0 JKAFRN CS(=O)(=O)c1ccc(-n2cc(COc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000013762166 562990262 /nfs/dbraw/zinc/99/02/62/562990262.db2.gz BYVYFWLNFBUGID-UHFFFAOYSA-N 0 0 473.381 5.829 1 0 JKAFRN Clc1ccc(CO[C@@H]2c3c(cc(Cl)cc3Cl)S[C@H]2Cn2ccnc2)c(Cl)c1 ZINC000013775803 562990735 /nfs/dbraw/zinc/99/07/35/562990735.db2.gz AGWSGJRKEVNFSN-HKUYNNGSSA-N 0 0 460.213 6.929 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1 ZINC000013776490 562990910 /nfs/dbraw/zinc/99/09/10/562990910.db2.gz WINOYNIKWSTXQD-NTHJKTIXSA-N 0 0 471.601 5.659 1 0 JKAFRN CCN(C(C)=O)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl ZINC000013778270 562991171 /nfs/dbraw/zinc/99/11/71/562991171.db2.gz XAMHWFZLNYREBB-UHFFFAOYSA-N 0 0 471.182 5.664 1 0 JKAFRN Oc1ccc2c(c1)sc1c2[C@@H](c2ccc(OCCN3CCOCC3)cc2)Oc2cc(O)ccc2-1 ZINC000013779333 562991389 /nfs/dbraw/zinc/99/13/89/562991389.db2.gz XKHFEVROOFQRAG-AREMUKBSSA-N 0 0 475.566 5.172 1 0 JKAFRN Oc1ccc2c(c1)sc1c2[C@H](c2ccc(OCCN3CCOCC3)cc2)Oc2cc(O)ccc2-1 ZINC000013779332 562991423 /nfs/dbraw/zinc/99/14/23/562991423.db2.gz XKHFEVROOFQRAG-SANMLTNESA-N 0 0 475.566 5.172 1 0 JKAFRN C/C=C(\C)CC[C@H]1[C@H](C(=O)[O-])[C@@H](c2ccc3c(c2)OCO3)C[N@H+]1CC(=O)N(CCCC)CCCC ZINC000013780894 562992041 /nfs/dbraw/zinc/99/20/41/562992041.db2.gz BCPQVTLHLOKUSN-ZFCIAJOFSA-N 0 0 486.653 5.059 1 0 JKAFRN CC1=CC[C@@H]2[C@@H](C1)c1c(O)cc(C(C)(C)CCCCC(=O)Nc3ccc(Cl)cc3)cc1OC2(C)C ZINC000013781728 562992258 /nfs/dbraw/zinc/99/22/58/562992258.db2.gz QUXMLLOPSWHDBX-DNQXCXABSA-N 0 0 496.091 8.133 1 0 JKAFRN COc1nc(C)ccc1NC(=O)N(Cc1ccc(Oc2ccc(F)cc2)cc1)C1CCCCCC1 ZINC000013781736 562992294 /nfs/dbraw/zinc/99/22/94/562992294.db2.gz OFJQEZNUPHKTNZ-UHFFFAOYSA-N 0 0 477.580 7.087 1 0 JKAFRN FC(F)(F)c1cc(COCC2(c3ccccc3)CCN(Cc3ncon3)CC2)cc(C(F)(F)F)c1 ZINC000013781989 562992340 /nfs/dbraw/zinc/99/23/40/562992340.db2.gz KXGBJHXQHUOLON-UHFFFAOYSA-N 0 0 499.455 5.858 1 0 JKAFRN CCOC(=O)COc1c(-c2ccccc2)nc2ccccc2c1C(=O)N[C@@H](CC)c1ccccc1 ZINC000013795709 562993057 /nfs/dbraw/zinc/99/30/57/562993057.db2.gz RCLLEVTVIPLVMM-QHCPKHFHSA-N 0 0 468.553 5.725 1 0 JKAFRN FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc32)c1 ZINC000013808863 562995537 /nfs/dbraw/zinc/99/55/37/562995537.db2.gz BZGHPHUNZKSCKZ-UHFFFAOYSA-N 0 0 459.269 6.141 1 0 JKAFRN COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c(C)n2Cc1ccc(Br)cc1 ZINC000013809433 562995765 /nfs/dbraw/zinc/99/57/65/562995765.db2.gz ZPCSYLHYMISWKP-UHFFFAOYSA-N 0 0 491.429 5.671 1 0 JKAFRN CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1ccc(C(=O)OCCC)cc1-2 ZINC000013814015 562996154 /nfs/dbraw/zinc/99/61/54/562996154.db2.gz PTQDGARLHAJVLA-UHFFFAOYSA-N 0 0 452.635 7.805 1 0 JKAFRN O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCCCCO ZINC000013814797 562996275 /nfs/dbraw/zinc/99/62/75/562996275.db2.gz MOPRGMKHXDVBQR-UXBLZVDNSA-N 0 0 458.838 6.480 1 0 JKAFRN Cc1nnc2n1-c1sc(CCc3ccc(-n4ccnc4)cc3)cc1C(c1ccccc1Cl)=NC2 ZINC000013821442 562997648 /nfs/dbraw/zinc/99/76/48/562997648.db2.gz QBVRKFXSSAAEEE-UHFFFAOYSA-N 0 0 485.016 5.613 1 0 JKAFRN CCc1cccc(-n2c(C[C@@H](C)c3c[nH]c4ccc(Br)cc43)nc3ccccc3c2=O)c1 ZINC000013821538 562997652 /nfs/dbraw/zinc/99/76/52/562997652.db2.gz CFYXMCWBLUMMPL-QGZVFWFLSA-N 0 0 486.413 6.538 1 0 JKAFRN CC(C)c1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 ZINC000013821554 562997671 /nfs/dbraw/zinc/99/76/71/562997671.db2.gz FYLDHENWFUYULJ-UHFFFAOYSA-N 0 0 486.413 6.538 1 0 JKAFRN O=C(CCCn1c2cc(-c3ccccc3)nn2c(=O)c2c1C(=O)N(C1CCCCC1)C2)c1ccccc1 ZINC000013821987 562997828 /nfs/dbraw/zinc/99/78/28/562997828.db2.gz RCEBZWUZONDTDS-UHFFFAOYSA-N 0 0 494.595 5.115 1 0 JKAFRN CCCCc1nc(Cl)c([C@@H](O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013823707 562998139 /nfs/dbraw/zinc/99/81/39/562998139.db2.gz JKKAPDULUACEAE-SANMLTNESA-N 0 0 499.018 5.856 1 0 JKAFRN CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013825643 562998368 /nfs/dbraw/zinc/99/83/68/562998368.db2.gz KESWQOVFFJCBRJ-UHFFFAOYSA-N 0 0 481.629 5.808 1 0 JKAFRN CCCCCNC(=O)Nc1c(CCCCn2cnc(-c3ccccc3)c2C)cccc1N(C)C ZINC000013827562 562998614 /nfs/dbraw/zinc/99/86/14/562998614.db2.gz FLASAYJQWIWHOK-UHFFFAOYSA-N 0 0 461.654 6.259 1 0 JKAFRN C[C@@]12CC[C@H]([C@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000013827702 562998690 /nfs/dbraw/zinc/99/86/90/562998690.db2.gz PVLHOJXLNBFHDX-XNWPAUOFSA-N 0 0 460.743 6.741 1 0 JKAFRN CCCCCNC(=O)Nc1c(N(C)C)ccc(C)c1OCCCn1cnc(-c2ccccc2)c1 ZINC000013827609 562998733 /nfs/dbraw/zinc/99/87/33/562998733.db2.gz FEPXBGTVAGOACR-UHFFFAOYSA-N 0 0 463.626 5.705 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CSC ZINC000013827794 562998833 /nfs/dbraw/zinc/99/88/33/562998833.db2.gz LZNGJYWYJLIOTM-UHFFFAOYSA-N 0 0 480.678 6.502 1 0 JKAFRN CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2S(C)(=O)=O)c1 ZINC000013827751 562998841 /nfs/dbraw/zinc/99/88/41/562998841.db2.gz RQTVTFDPAFWWBX-UHFFFAOYSA-N 0 0 498.649 5.043 1 0 JKAFRN Cc1cccc(OCCCn2cnc(-c3ccccc3)c2Cl)c1NC(=O)NCCC(C)C ZINC000013827837 562998860 /nfs/dbraw/zinc/99/88/60/562998860.db2.gz IIQUGOQXMPHKIF-UHFFFAOYSA-N 0 0 455.002 6.149 1 0 JKAFRN CCCCc1nc2ccc(C)c(C(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828050 562998923 /nfs/dbraw/zinc/99/89/23/562998923.db2.gz NDOIRUSWPIIYPL-UHFFFAOYSA-N 0 0 494.599 5.759 1 0 JKAFRN CCCCc1nc2cccc(C(=O)NC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000013828084 562998969 /nfs/dbraw/zinc/99/89/69/562998969.db2.gz IQKBOXFMQQFNBS-UHFFFAOYSA-N 0 0 493.615 5.413 1 0 JKAFRN COc1ccc(OCc2cc([C@H]3Nc4ccccc4C(=O)N3Cc3ccccc3)ccc2OC)cc1 ZINC000013829598 562999075 /nfs/dbraw/zinc/99/90/75/562999075.db2.gz GNMRMJHARVGSIT-LJAQVGFWSA-N 0 0 480.564 6.050 1 0 JKAFRN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1cccc(C)c1 ZINC000013829604 562999103 /nfs/dbraw/zinc/99/91/03/562999103.db2.gz WOIOZRMWKMMRJA-GDLZYMKVSA-N 0 0 464.565 6.349 1 0 JKAFRN COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013829585 562999131 /nfs/dbraw/zinc/99/91/31/562999131.db2.gz PXUPRRXRZNUAGP-NDEPHWFRSA-N 0 0 485.584 5.742 1 0 JKAFRN COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013829735 562999223 /nfs/dbraw/zinc/99/92/23/562999223.db2.gz BZJZORSWXAMUTC-PNVLYOGYSA-N 0 0 469.556 6.191 1 0 JKAFRN COc1ccc(-c2ccc(OC)c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c2)cc1OC ZINC000013830502 562999279 /nfs/dbraw/zinc/99/92/79/562999279.db2.gz FYWMIHJCACAINX-DSXODZLMSA-N 0 0 483.608 6.435 1 0 JKAFRN COc1ccc(-c2cc([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc2F)cc1OC ZINC000013830847 562999310 /nfs/dbraw/zinc/99/93/10/562999310.db2.gz PDTHXPVGGVIYNJ-JXRCOXDSSA-N 0 0 471.572 6.422 1 0 JKAFRN COc1ccc(CN(Cc2ccccc2)C(=O)C2CC2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831054 562999345 /nfs/dbraw/zinc/99/93/45/562999345.db2.gz XLVQHNNLZGXPPM-UHFFFAOYSA-N 0 0 458.558 5.171 1 0 JKAFRN CC(=O)c1ccc(-c2ccc([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1 ZINC000013830804 562999356 /nfs/dbraw/zinc/99/93/56/562999356.db2.gz CBSFIPZNVMHQDA-CVXIRMMQSA-N 0 0 453.557 6.751 1 0 JKAFRN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 ZINC000013833062 563000150 /nfs/dbraw/zinc/00/01/50/563000150.db2.gz TVQLWHYXBOTZLE-MHZLTWQESA-N 0 0 474.992 5.303 1 0 JKAFRN C[C@](Cc1c[nH]c2ccccc12)(NC(=O)Nc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 ZINC000013833063 563000162 /nfs/dbraw/zinc/00/01/62/563000162.db2.gz TVQLWHYXBOTZLE-HHHXNRCGSA-N 0 0 474.992 5.303 1 0 JKAFRN CCCCCC(CCCCC)(CNC(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1 ZINC000013833462 563000491 /nfs/dbraw/zinc/00/04/91/563000491.db2.gz ONMOTCMTLVZEFR-UHFFFAOYSA-N 0 0 464.738 9.154 1 0 JKAFRN Nc1nc2[nH]c(Cc3ccc(-c4ccccc4)cc3)cc2c(Nc2cccc(Br)c2)n1 ZINC000013859514 563001746 /nfs/dbraw/zinc/00/17/46/563001746.db2.gz OBTGJXIDKZVSAG-UHFFFAOYSA-N 0 0 470.374 6.304 1 0 JKAFRN CCCCc1nc(CCCC)n(Cc2ccc(-n3c(Cl)cc(Cl)c3-c3nn[nH]n3)cc2)n1 ZINC000013861192 563002367 /nfs/dbraw/zinc/00/23/67/563002367.db2.gz KFQVCVVDOXBMIY-UHFFFAOYSA-N 0 0 473.412 5.289 1 0 JKAFRN COc1ccc(COc2ccc(CC(=O)C3c4cccc(O)c4C(=O)c4c(O)cccc43)cc2)cc1 ZINC000013862170 563002709 /nfs/dbraw/zinc/00/27/09/563002709.db2.gz PYNNLTWNMREXEC-UHFFFAOYSA-N 0 0 480.516 5.174 1 0 JKAFRN O=c1ncn2nc(Sc3ccccc3Br)ccc2c1-c1c(Cl)cccc1Cl ZINC000013864347 563003918 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460.743 6.741 1 0 JKAFRN C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@H](OC(=O)C(C)C)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]32CC[C@@H]1C ZINC000015156191 563011350 /nfs/dbraw/zinc/01/13/50/563011350.db2.gz ZORWLQPVCJDDHT-FTILYZSGSA-N 0 0 488.621 5.254 1 0 JKAFRN CCCn1c2ccccc2nc1[C@H]1CCCN1c1nc(-c2cccc(Br)c2)cs1 ZINC000015937208 563012276 /nfs/dbraw/zinc/01/22/76/563012276.db2.gz WJVPSBXUMVWKOM-OAQYLSRUSA-N 0 0 467.436 6.674 3 0 JKAFRN C[C@H]1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(=O)/c(=C/c3ccc(Cl)cc3)sc1=N2 ZINC000016958973 563013329 /nfs/dbraw/zinc/01/33/29/563013329.db2.gz GABSYHKVFPHDHM-OIWYXUQOSA-N 0 0 455.410 5.342 1 0 JKAFRN C(=C[C@@H](Sc1ccccc1)c1ccccc1)NN=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000017210699 563013699 /nfs/dbraw/zinc/01/36/99/563013699.db2.gz HDKXFUMPAGMDHU-LVAXFNFLSA-N 0 0 489.648 6.233 1 0 JKAFRN C[C@@H](Oc1ccc(OCC2CCCCC2)cc1)C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000017220906 563013882 /nfs/dbraw/zinc/01/38/82/563013882.db2.gz NPPFEMJOUNELEJ-JOCHJYFZSA-N 0 0 472.581 6.506 1 0 JKAFRN 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563021870 /nfs/dbraw/zinc/02/18/70/563021870.db2.gz ROEGBJWLDUFUSF-BYYHNAKLSA-N 0 0 458.510 5.832 1 0 JKAFRN CCCC[C@H](NC(=O)[C@H](CSC(C)=O)[C@H](C)c1ccccc1)C(=O)OCc1ccccc1 ZINC000026017332 563021886 /nfs/dbraw/zinc/02/18/86/563021886.db2.gz NWZXIUTVGSRUAJ-FOVJLYNBSA-N 0 0 455.620 5.104 1 0 JKAFRN CCOC(=O)c1c(C)[nH]c2ccc3c(c21)CN1CCc2cc(Oc4ccccc4)ccc2[C@H]1O3 ZINC000026152800 563022502 /nfs/dbraw/zinc/02/25/02/563022502.db2.gz QELYJMWPIJVOGA-HHHXNRCGSA-N 0 0 454.526 5.895 1 0 JKAFRN O=C1O[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](Cc2ccccc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000026163045 563022904 /nfs/dbraw/zinc/02/29/04/563022904.db2.gz XIKUSXQTILEQON-BSDZUQITSA-N 0 0 457.309 5.067 1 0 JKAFRN COc1ccc(C[C@@H]2[C@@H](c3ccc(Cl)c(Cl)c3)C(=O)O[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000026166106 563022996 /nfs/dbraw/zinc/02/29/96/563022996.db2.gz WVJKUKCCKMNTKW-XRODADMRSA-N 0 0 473.352 5.355 1 0 JKAFRN C[C@@H]1c2ccccc2NC(=O)CN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026167302 563023141 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RPIKCBYIFATUNJ-FNORWQNLSA-N 0 0 452.602 6.568 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2sc3ccccc3c2c1 ZINC000026575975 563030493 /nfs/dbraw/zinc/03/04/93/563030493.db2.gz WYVQLORODWUWMX-UHFFFAOYSA-N 0 0 479.527 6.557 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1O2 ZINC000026575976 563030515 /nfs/dbraw/zinc/03/05/15/563030515.db2.gz GWTXEIFTRNLJFZ-UHFFFAOYSA-N 0 0 477.486 5.885 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cc2ccccc2)cc1 ZINC000026576397 563030588 /nfs/dbraw/zinc/03/05/88/563030588.db2.gz YOAYAAAFGZNWMZ-UHFFFAOYSA-N 0 0 463.503 5.780 1 0 JKAFRN CCOCC/C=C/c1ccc(-c2nc(-c3ccc(NC)cc3)c(-c3ccc(N(CC)CC)cc3)[nH]2)cc1 ZINC000026577224 563030681 /nfs/dbraw/zinc/03/06/81/563030681.db2.gz FMHIIGIVPNUNDL-CSKARUKUSA-N 0 0 494.683 7.738 1 0 JKAFRN CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc2c(c1)Cc1ccccc1C2 ZINC000026576691 563030709 /nfs/dbraw/zinc/03/07/09/563030709.db2.gz QRPXATFZXUWHFF-UHFFFAOYSA-N 0 0 475.514 5.684 1 0 JKAFRN 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COc1cccc(COCCN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000026649568 563031975 /nfs/dbraw/zinc/03/19/75/563031975.db2.gz BSLOXPPCRUASCP-MHZLTWQESA-N 0 0 451.010 5.272 1 0 JKAFRN CC(C)(C)C(=O)NCc1ccc(NC(=O)N(C[C@H](O)c2ccc(Cl)c(Cl)c2)C2CCC2)cc1 ZINC000026649744 563032078 /nfs/dbraw/zinc/03/20/78/563032078.db2.gz NJIBMOUCOYIGCS-QFIPXVFZSA-N 0 0 492.447 5.776 1 0 JKAFRN CC(C)c1ccc(CCCCCCCCCCCCc2ccc(C(C)C)cc(=O)c2O)c(O)c(=O)c1 ZINC000026653757 563032290 /nfs/dbraw/zinc/03/22/90/563032290.db2.gz DPXQVEPEJSSKCR-UHFFFAOYSA-N 0 0 494.716 7.751 1 0 JKAFRN CCCCCC(=O)O[C@@H](CCCc1ccccc1)CP(=O)(OCCCC)OCCCC ZINC000026669682 563033241 /nfs/dbraw/zinc/03/32/41/563033241.db2.gz VKIWMORBFATFNZ-DEOSSOPVSA-N 0 0 454.588 7.328 1 0 JKAFRN CCCCOP(=O)(C[C@H](CCc1ccccc1)NP(=O)(OCC)OCC)OCCCC ZINC000026715987 563033689 /nfs/dbraw/zinc/03/36/89/563033689.db2.gz DZJWLRUOWKHXDV-QFIPXVFZSA-N 0 0 477.519 6.585 1 0 JKAFRN Cc1cc(=O)oc2cc(CCc3n[nH]c4cccc(OCc5ccc(C(C)(C)C)cc5)c43)ccc12 ZINC000026722387 563033886 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ZINC000028332969 563059737 /nfs/dbraw/zinc/05/97/37/563059737.db2.gz AMLHROLZRHWEQT-MUUNZHRXSA-N 0 0 465.638 5.514 1 0 JKAFRN COc1ccccc1Sc1ccc(-c2ccnc(N3CCN(C(C)=O)CC3)c2)cc1C(F)(F)F ZINC000028336724 563060005 /nfs/dbraw/zinc/06/00/05/563060005.db2.gz ABFZFLPVUIIHIL-UHFFFAOYSA-N 0 0 487.547 5.596 1 0 JKAFRN CNS(=O)(=O)c1ccc(COc2cc3c(c(Cl)c2Cl)C(=O)[C@](C)(C2CCCC2)C3)cc1 ZINC000028339494 563060228 /nfs/dbraw/zinc/06/02/28/563060228.db2.gz COOCAPYLHCVZRA-QHCPKHFHSA-N 0 0 482.429 5.416 1 0 JKAFRN O=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Cl ZINC000028342309 563060541 /nfs/dbraw/zinc/06/05/41/563060541.db2.gz RPFZUITZBLTUOO-UHFFFAOYSA-N 0 0 495.237 7.160 1 0 JKAFRN O=C(Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1)c1ccccc1Oc1ccccc1 ZINC000028342182 563060558 /nfs/dbraw/zinc/06/05/58/563060558.db2.gz WPZCORTWYNZVRV-UHFFFAOYSA-N 0 0 471.582 6.860 1 0 JKAFRN CCCC[C@H](NC(=O)O[C@H](Cc1ccccc1)C(C)C)C(=O)c1nc(C(=O)OCC)cs1 ZINC000028346037 563060723 /nfs/dbraw/zinc/06/07/23/563060723.db2.gz JFIRQYVGIBDMCJ-AZUAARDMSA-N 0 0 460.596 5.055 1 0 JKAFRN CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(O)CC3)ncn2)cc1C(F)(F)F ZINC000028347288 563060822 /nfs/dbraw/zinc/06/08/22/563060822.db2.gz JNPJONSHMIUCKC-UHFFFAOYSA-N 0 0 473.564 6.398 1 0 JKAFRN CC(C)c1ccccc1Sc1ccc(-c2cc(N3C[C@@H](C)O[C@@H](C)C3)ncn2)cc1C(F)(F)F ZINC000028352412 563061150 /nfs/dbraw/zinc/06/11/50/563061150.db2.gz XXLJXHUHENVDCY-HDICACEKSA-N 0 0 487.591 7.051 1 0 JKAFRN COc1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@@H]3CO)c2)cc1C(F)(F)F ZINC000028351880 563061169 /nfs/dbraw/zinc/06/11/69/563061169.db2.gz WUFSAKWUUGHJKE-GOSISDBHSA-N 0 0 460.521 5.888 1 0 JKAFRN CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCCCC3)c2)cc1C(F)(F)F ZINC000028352394 563061179 /nfs/dbraw/zinc/06/11/79/563061179.db2.gz FLFAPHMTRQUVPN-UHFFFAOYSA-N 0 0 470.604 8.422 1 0 JKAFRN CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)co2)CC1 ZINC000028352263 563061183 /nfs/dbraw/zinc/06/11/83/563061183.db2.gz MVRMZEXFMDYXCV-UHFFFAOYSA-N 0 0 489.563 6.304 1 0 JKAFRN CCCCN(CCCC)c1ccc(NC(=O)[C@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354711 563061321 /nfs/dbraw/zinc/06/13/21/563061321.db2.gz ZKXWAKPCAVTPBT-PMERELPUSA-N 0 0 493.692 6.342 1 0 JKAFRN CCCCN(CCCC)c1ccc(NC(=O)[C@@]2(NC(=O)OCC(C)C)CCc3ccccc3C2)cc1 ZINC000028354701 563061355 /nfs/dbraw/zinc/06/13/55/563061355.db2.gz ZKXWAKPCAVTPBT-SSEXGKCCSA-N 0 0 493.692 6.342 1 0 JKAFRN CCN(CC)c1ccc(NC(=O)[C@]2(N(C)C(=O)OCC(C)C)CCc3ccccc3C2)cc1 ZINC000028356484 563061444 /nfs/dbraw/zinc/06/14/44/563061444.db2.gz DOVXQUAGALMYIX-MHZLTWQESA-N 0 0 451.611 5.123 1 0 JKAFRN OC[C@H]1CCCN1c1cc(-c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2)ccn1 ZINC000028357033 563061553 /nfs/dbraw/zinc/06/15/53/563061553.db2.gz BYQWOSKTUPJKFV-GOSISDBHSA-N 0 0 488.531 5.651 1 0 JKAFRN CCCCn1cc(C2CC[NH+](CCOc3cc(OC)ccc3C(=O)[O-])CC2)c2ccccc21 ZINC000028361702 563061779 /nfs/dbraw/zinc/06/17/79/563061779.db2.gz FWCATOSTYFCGKZ-UHFFFAOYSA-N 0 0 450.579 5.407 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccccc1SC ZINC000028362081 563061796 /nfs/dbraw/zinc/06/17/96/563061796.db2.gz XOHRGWLNFQOKJI-UHFFFAOYSA-N 0 0 464.365 6.891 1 0 JKAFRN C[C@@H](NC(=S)Nc1ccc(NC(=O)c2ccccc2F)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028361915 563061807 /nfs/dbraw/zinc/06/18/07/563061807.db2.gz MDUDHPUGGCLMJR-CYBMUJFWSA-N 0 0 479.474 6.284 1 0 JKAFRN COc1cc(CN(Cc2ccccc2Cl)C(=O)Cc2ccccn2)ccc1OCc1ccccc1 ZINC000028364192 563061875 /nfs/dbraw/zinc/06/18/75/563061875.db2.gz BIIMXCFCIMJDSR-UHFFFAOYSA-N 0 0 486.999 6.094 1 0 JKAFRN COc1ccc(NC(=O)C[C@@]2(C)[C@@H]([C@@H]3CCc4cc(OC)ccc4C3)CC[C@@H]2OC(C)=O)cc1 ZINC000028366808 563062056 /nfs/dbraw/zinc/06/20/56/563062056.db2.gz PYEAZINXMTXMQR-ORXKUAJCSA-N 0 0 465.590 5.186 1 0 JKAFRN CCCCN(CCCC)c1cc(C)nc2c(-c3ncc(C(F)(F)F)cc3Cl)c(C)nn21 ZINC000028365997 563062068 /nfs/dbraw/zinc/06/20/68/563062068.db2.gz QAITXIGAEYTJHJ-UHFFFAOYSA-N 0 0 453.940 6.487 1 0 JKAFRN COc1cc(OCc2ccccc2)c2c(OC)cc(C[C@@H]3CCOC(C)(C)O3)cc2c1OC ZINC000028369753 563062320 /nfs/dbraw/zinc/06/23/20/563062320.db2.gz ZCXMZPBJXFLPLS-FQEVSTJZSA-N 0 0 452.547 5.529 1 0 JKAFRN CCNC(=O)c1ccc(C(c2cccc(CCC(=O)[O-])c2)=C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccoc2)cc1 ZINC000028383809 563063121 /nfs/dbraw/zinc/06/31/21/563063121.db2.gz QFNCTTTZVRYNOQ-HNRBIFIRSA-N 0 0 498.623 5.675 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cccc(C(C)C)c1 ZINC000028386423 563063311 /nfs/dbraw/zinc/06/33/11/563063311.db2.gz QISBVAZRVMBDNJ-UHFFFAOYSA-N 0 0 460.352 7.292 1 0 JKAFRN CCOC(=O)c1nnc2c3c(nn2c1-c1ccccc1)nnc(-c1ccccc1)c3-c1ccccc1 ZINC000028387944 563063428 /nfs/dbraw/zinc/06/34/28/563063428.db2.gz ONCPQJUJWKQLKB-UHFFFAOYSA-N 0 0 472.508 5.245 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C(C)=O)s1 ZINC000028390089 563063450 /nfs/dbraw/zinc/06/34/50/563063450.db2.gz DGWAMRKYNYINRJ-UHFFFAOYSA-N 0 0 466.337 6.433 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(Cl)cc1 ZINC000028390437 563063451 /nfs/dbraw/zinc/06/34/51/563063451.db2.gz DCLRFXKSDYTZIN-UHFFFAOYSA-N 0 0 452.716 6.822 1 0 JKAFRN CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc2c(c1)OCO2 ZINC000028390374 563063469 /nfs/dbraw/zinc/06/34/69/563063469.db2.gz LHSWKUZVAZKLHJ-UHFFFAOYSA-N 0 0 462.280 5.898 1 0 JKAFRN CCCc1c2ccn(CC3CCCCC3)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028397257 563063851 /nfs/dbraw/zinc/06/38/51/563063851.db2.gz FTVHYJPUDBNLFI-UHFFFAOYSA-N 0 0 487.648 6.592 1 0 JKAFRN COc1cc2c(cc1OC)[C@@H](CC(c1ccccc1)c1ccccc1)N(C(=O)C1CCCCC1)CC2 ZINC000028397342 563063937 /nfs/dbraw/zinc/06/39/37/563063937.db2.gz RUCZFKFRQISINN-GDLZYMKVSA-N 0 0 483.652 6.932 1 0 JKAFRN COc1cc2c(cc1OC)[C@H](CCc1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000028456044 563064099 /nfs/dbraw/zinc/06/40/99/563064099.db2.gz YUGCNWWYDYKAGI-QHCPKHFHSA-N 0 0 469.503 6.095 1 0 JKAFRN CCCc1c2c(C)cn(CC(C)(C)C)c2ccc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000028460051 563064564 /nfs/dbraw/zinc/06/45/64/563064564.db2.gz SZWSZUNAPFJTTJ-UHFFFAOYSA-N 0 0 475.637 6.366 1 0 JKAFRN CC(C)(C)Cn1ccc2c1ccc(OCCCCOc1ccc(-c3nn[nH]n3)cc1)c2Br ZINC000028462262 563064638 /nfs/dbraw/zinc/06/46/38/563064638.db2.gz RRBFWLMWOFDFTC-UHFFFAOYSA-N 0 0 498.425 5.868 1 0 JKAFRN CCCCCCNC(=O)Nc1nc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2s1 ZINC000028466358 563065063 /nfs/dbraw/zinc/06/50/63/563065063.db2.gz ICNVPPGKYLGYHJ-UHFFFAOYSA-N 0 0 465.406 6.557 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(SC)cc3)cc2)C(=O)C(C)C)c1 ZINC000028467940 563065123 /nfs/dbraw/zinc/06/51/23/563065123.db2.gz YGUXJDALSNIHQS-LICLKQGHSA-N 0 0 459.611 6.451 1 0 JKAFRN CCCCCS(=O)(=O)Oc1cc(C)cc2c1Oc1ccc([C@@H](O)CC(C)C)c(OC)c1C(=O)O2 ZINC000028469740 563065243 /nfs/dbraw/zinc/06/52/43/563065243.db2.gz DJYVFVDEXAMALY-SFHVURJKSA-N 0 0 492.590 5.307 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccc(F)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028469836 563065359 /nfs/dbraw/zinc/06/53/59/563065359.db2.gz IQECKAWLOVAICS-FBEWSEFSSA-N 0 0 497.610 7.296 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000028471441 563065415 /nfs/dbraw/zinc/06/54/15/563065415.db2.gz OMKDCTIYUUPVEG-HHHXNRCGSA-N 0 0 482.967 6.338 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3ccccn3)cc2)C(=O)C2CCCCC2)c1 ZINC000028470876 563065426 /nfs/dbraw/zinc/06/54/26/563065426.db2.gz FHYPJMWYTKIUQE-XPWSMXQVSA-N 0 0 480.608 6.552 1 0 JKAFRN O=S(=O)(c1ccc(Cl)cc1)N1C[C@@H](c2ccccc2)C(c2ccc(Cl)c(Cl)c2)=N1 ZINC000028472648 563065637 /nfs/dbraw/zinc/06/56/37/563065637.db2.gz HFHJIPYIQJZIKQ-SFHVURJKSA-N 0 0 465.789 5.839 1 0 JKAFRN CCOc1cccc(-c2ccc(CN(C(=O)C3CCCCC3)c3cccc(/C=C/C(=O)OC)c3)cc2)c1 ZINC000028472731 563065640 /nfs/dbraw/zinc/06/56/40/563065640.db2.gz LEHQCLSZXAQHOV-LVZFUZTISA-N 0 0 497.635 7.052 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3c(F)cccc3F)cc2)C(=O)C(C)C)c1 ZINC000028473696 563065693 /nfs/dbraw/zinc/06/56/93/563065693.db2.gz LWARFUCVQWIDMJ-YXLFCKQPSA-N 0 0 475.535 6.511 1 0 JKAFRN C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C ZINC000028473624 563065702 /nfs/dbraw/zinc/06/57/02/563065702.db2.gz QGGMSUOIGCICBY-NOESFHQASA-N 0 0 491.156 7.051 1 0 JKAFRN COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3cccc(F)c3)cc2)C(=O)C(C)C)c1 ZINC000028473941 563065724 /nfs/dbraw/zinc/06/57/24/563065724.db2.gz ZJDUUWFLZFARMN-VTRAWOOYSA-N 0 0 457.545 6.372 1 0 JKAFRN O=C1N(Cc2ccc(COc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CCN1c1ccncc1 ZINC000028474492 563065806 /nfs/dbraw/zinc/06/58/06/563065806.db2.gz LYFIKDXGHYCONA-UHFFFAOYSA-N 0 0 469.972 6.423 1 0 JKAFRN COC/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)C(=O)C2CCCCC2)c1 ZINC000028474993 563065859 /nfs/dbraw/zinc/06/58/59/563065859.db2.gz CRTNUDOZCYUBJM-XIGCGSTFSA-N 0 0 489.656 6.815 1 0 JKAFRN CC(C)(CCOc1ccc(-c2ccc(Cl)cc2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028476594 563065956 /nfs/dbraw/zinc/06/59/56/563065956.db2.gz RYFHANBXZABRCS-UHFFFAOYSA-N 0 0 464.009 6.529 1 0 JKAFRN CCOC/C=C/c1ccc(CN(C(=O)C2CCCCC2)c2cccc(/C=C/C(=O)OC)c2)cc1 ZINC000028476666 563065972 /nfs/dbraw/zinc/06/59/72/563065972.db2.gz FMSHKRZBGPTXTA-KHTMJJOGSA-N 0 0 461.602 6.036 1 0 JKAFRN 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/nfs/dbraw/zinc/07/70/76/563077076.db2.gz PKEGYVLDFBCJGK-UHFFFAOYSA-N 0 0 494.370 5.441 1 0 JKAFRN Fc1ccc(C(OCCN2C[C@H]3C[C@@H](C2)N3Cc2cc3ccccc3s2)c2ccc(F)cc2)cc1 ZINC000028713785 563077430 /nfs/dbraw/zinc/07/74/30/563077430.db2.gz NJGLOJADELDDTN-WMPKNSHKSA-N 0 0 490.619 6.244 1 0 JKAFRN CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4C(=O)N(C(=O)NC(C)(C)C)C(C)(C)C)[C@@H]3CC[C@@H]12 ZINC000028760290 563078142 /nfs/dbraw/zinc/07/81/42/563078142.db2.gz UBWAAARDUZVCHZ-OHTDPVNNSA-N 0 0 487.729 5.601 1 0 JKAFRN CC/C(=C(\c1ccccc1)c1ccc(OC(C)=O)c(OC(C)=O)c1)c1ccc(OC(C)=O)cc1 ZINC000028766082 563078705 /nfs/dbraw/zinc/07/87/05/563078705.db2.gz YUYNEMPJHNBBKD-FVDSYPCUSA-N 0 0 458.510 5.832 1 0 JKAFRN Clc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)c(Cl)c1 ZINC000028766695 563078789 /nfs/dbraw/zinc/07/87/89/563078789.db2.gz TVWSBRQBUUFOSI-MOPGFXCFSA-N 0 0 454.151 5.594 1 0 JKAFRN O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000028766884 563078807 /nfs/dbraw/zinc/07/88/07/563078807.db2.gz RISCKFHMJSQSII-UHFFFAOYSA-N 0 0 494.492 6.099 1 0 JKAFRN Cc1cccc(C2=CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc54)cc3)CC2)c1 ZINC000028768184 563078828 /nfs/dbraw/zinc/07/88/28/563078828.db2.gz XLOWZXIPCHIHHC-UHFFFAOYSA-N 0 0 487.525 7.235 1 0 JKAFRN CC/C(=C(/c1ccccc1)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000028767502 563078881 /nfs/dbraw/zinc/07/88/81/563078881.db2.gz QRGPLXYTLKVBPK-AZPGRJICSA-N 0 0 458.510 5.832 1 0 JKAFRN Brc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 ZINC000028768271 563078955 /nfs/dbraw/zinc/07/89/55/563078955.db2.gz OEWVPNAJACDDFG-MOPGFXCFSA-N 0 0 464.157 5.049 1 0 JKAFRN Clc1ccc([C@]2(Cn3ccnc3)OC[C@H](Cc3ccc(Br)cc3)O2)c(Cl)c1 ZINC000028768844 563078959 /nfs/dbraw/zinc/07/89/59/563078959.db2.gz OOPGWPQJNUREMP-FXAWDEMLSA-N 0 0 468.178 5.464 1 0 JKAFRN Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](Cc3ccc(Br)cc3)O2)c(Cl)c1 ZINC000028768843 563079019 /nfs/dbraw/zinc/07/90/19/563079019.db2.gz OOPGWPQJNUREMP-PXNSSMCTSA-N 0 0 468.178 5.464 1 0 JKAFRN Brc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccc(Br)cc3)O2)cc1 ZINC000028768269 563079035 /nfs/dbraw/zinc/07/90/35/563079035.db2.gz OEWVPNAJACDDFG-OALUTQOASA-N 0 0 464.157 5.049 1 0 JKAFRN COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NC(=O)c3cc(F)c(Cl)cc3Cl)C4)c2c1 ZINC000028817537 563079854 /nfs/dbraw/zinc/07/98/54/563079854.db2.gz VTWMPPMYWBIEGU-CQSZACIVSA-N 0 0 485.346 5.162 1 0 JKAFRN CC1(C)CC([C@@H](C(=O)NC2CCN(C(=O)CCc3cccnc3)CC2)c2ccccc2)CC(C)(C)C1 ZINC000028818641 563080236 /nfs/dbraw/zinc/08/02/36/563080236.db2.gz QCTUCCZZCGXETJ-NDEPHWFRSA-N 0 0 489.704 5.758 1 0 JKAFRN CC1(C)CC([C@H](C(=O)NC2CCN(C(=O)CCc3cccnc3)CC2)c2ccccc2)CC(C)(C)C1 ZINC000028818642 563080240 /nfs/dbraw/zinc/08/02/40/563080240.db2.gz QCTUCCZZCGXETJ-MUUNZHRXSA-N 0 0 489.704 5.758 1 0 JKAFRN O=C(CCc1ccccc1F)N1CCC(NC(=O)[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000028818815 563080286 /nfs/dbraw/zinc/08/02/86/563080286.db2.gz FFBSHMPPTOAKJD-MHZLTWQESA-N 0 0 450.598 5.230 1 0 JKAFRN COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1CC=C(C)C ZINC000028820049 563080648 /nfs/dbraw/zinc/08/06/48/563080648.db2.gz NTSBBYSZSWYFHP-QBHCXONDSA-N 0 0 492.656 6.579 1 0 JKAFRN COc1ccc(CNC(=O)c2ccc([C@@H]3c4[nH]cnc4CCN3c3ccc4ccccc4c3)cc2)cc1 ZINC000028820397 563080683 /nfs/dbraw/zinc/08/06/83/563080683.db2.gz IISUPJSGLQBJEJ-SSEXGKCCSA-N 0 0 488.591 5.654 1 0 JKAFRN Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@@H](C)NC(=O)Oc1ccccc1F ZINC000028821685 563080745 /nfs/dbraw/zinc/08/07/45/563080745.db2.gz LXGNTFODLNMYKQ-JOCHJYFZSA-N 0 0 485.603 7.402 1 0 JKAFRN COc1ccc(COCc2ccccc2-c2c(Br)c3ccccc3c(=O)n2C)cc1 ZINC000028821991 563080920 /nfs/dbraw/zinc/08/09/20/563080920.db2.gz DOKDVRRDQLFKOH-UHFFFAOYSA-N 0 0 464.359 5.693 1 0 JKAFRN CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N[C@H]3C[C@@H]3c3ccccc3)cc2)c1 ZINC000028822766 563081302 /nfs/dbraw/zinc/08/13/02/563081302.db2.gz IXLVUUFUDRJUSL-RPBOFIJWSA-N 0 0 451.526 5.177 1 0 JKAFRN CC(C)(C)OC(=O)n1c(-c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cc2ccccc21 ZINC000028822970 563081440 /nfs/dbraw/zinc/08/14/40/563081440.db2.gz XIHLOKCAGFEWSY-UHFFFAOYSA-N 0 0 476.598 5.613 1 0 JKAFRN C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(N4CCN(c5ccccc5)CC4)cn3)[C@H]12 ZINC000028823107 563081453 /nfs/dbraw/zinc/08/14/53/563081453.db2.gz DPFTURWFPGEFQJ-WTEZSIDUSA-N 0 0 471.645 5.425 1 0 JKAFRN COc1ccc2cc([C@H](C)c3nnc4sc(-c5ccc(Cl)cc5Cl)nn43)ccc2c1 ZINC000028823125 563081460 /nfs/dbraw/zinc/08/14/60/563081460.db2.gz KDFHPPKITFUGFU-LBPRGKRZSA-N 0 0 455.370 6.473 1 0 JKAFRN C[C@H](Cc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028823232 563081554 /nfs/dbraw/zinc/08/15/54/563081554.db2.gz RAFYYZKZNFJMJK-MRXNPFEDSA-N 0 0 450.387 5.312 1 0 JKAFRN CCc1ccccc1N(Cc1nnc(Oc2ccc(OC)cc2)o1)S(=O)(=O)c1ccc(C)cc1 ZINC000028823383 563081615 /nfs/dbraw/zinc/08/16/15/563081615.db2.gz VZWHYFWIFGPSFR-UHFFFAOYSA-N 0 0 479.558 5.137 1 0 JKAFRN COc1ccc(/C=C/c2cc(OC)c(CCCCCCCCCCCCO)c(OC)c2)cc1 ZINC000028823584 563081637 /nfs/dbraw/zinc/08/16/37/563081637.db2.gz JEFLKIPAABWSFK-FOCLMDBBSA-N 0 0 454.651 7.319 1 0 JKAFRN CCOc1ccc(Cc2nnc(CN(c3ccccc3CC)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823313 563081653 /nfs/dbraw/zinc/08/16/53/563081653.db2.gz IUYMTUZEJPVPNH-UHFFFAOYSA-N 0 0 491.613 5.325 1 0 JKAFRN CCn1c(-c2ccc([S@@](C)=O)cc2)nc(-c2ccncc2)c1-c1ccc2cc(OC)ccc2c1 ZINC000028823977 563081690 /nfs/dbraw/zinc/08/16/90/563081690.db2.gz SPHQNDQLTJVIJA-UMSFTDKQSA-N 0 0 467.594 6.198 1 0 JKAFRN CCCn1c(-c2ccc([S@@](C)=O)cc2)nc(-c2ccncc2)c1-c1ccc2cc(OC)ccc2c1 ZINC000028823983 563081741 /nfs/dbraw/zinc/08/17/41/563081741.db2.gz MBYUZODCLRCMSS-DHUJRADRSA-N 0 0 481.621 6.588 1 0 JKAFRN C[S@](=O)c1ccc(-c2nc(-c3ccc4cc(-c5ccccc5)ccc4c3)c(-c3ccncc3)[nH]2)cc1 ZINC000028823972 563081746 /nfs/dbraw/zinc/08/17/46/563081746.db2.gz RJWAZQFXAPSWMZ-PSXMRANNSA-N 0 0 485.612 7.363 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc([S@@](C)=O)cc4C)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824348 563081899 /nfs/dbraw/zinc/08/18/99/563081899.db2.gz SAVGVJZNZBOAKW-XIFFEERXSA-N 0 0 453.567 6.013 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824346 563081920 /nfs/dbraw/zinc/08/19/20/563081920.db2.gz KOVZYHXVGPUREJ-UHFFFAOYSA-N 0 0 455.539 5.371 1 0 JKAFRN COc1ccc2cc(-c3nc(-c4ccc([S@@](C)=O)cc4Cl)[nH]c3-c3ccncc3)ccc2c1 ZINC000028824352 563081925 /nfs/dbraw/zinc/08/19/25/563081925.db2.gz WTIQLLRDBWUMJC-XIFFEERXSA-N 0 0 473.985 6.358 1 0 JKAFRN CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)O)s1 ZINC000028827354 563083014 /nfs/dbraw/zinc/08/30/14/563083014.db2.gz XSHZFWXNHJNUBT-UZLBHIALSA-N 0 0 495.636 5.322 1 0 JKAFRN CCCC(CCC)c1cnc(NC(=O)[C@H](CCC)NC(=O)Cc2cc(F)cc(F)c2)s1 ZINC000028827418 563083193 /nfs/dbraw/zinc/08/31/93/563083193.db2.gz ABXVDHUTYIDONN-IBGZPJMESA-N 0 0 451.583 5.571 1 0 JKAFRN O[C@@H](CN(Cc1cccc(-c2ccncn2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862707 563083258 /nfs/dbraw/zinc/08/32/58/563083258.db2.gz FTGHBFORSSILQA-VWLOTQADSA-N 0 0 465.475 5.866 1 0 JKAFRN Cc1cccc(-c2cccc(CN(C[C@@H](O)C(F)(F)F)c3cccc(Oc4ccccc4)c3)c2)n1 ZINC000028862718 563083286 /nfs/dbraw/zinc/08/32/86/563083286.db2.gz QMNGYTXVNLGOMP-HHHXNRCGSA-N 0 0 478.514 6.779 1 0 JKAFRN COc1ccc2c(c(CC(=O)OCc3ccccc3)c(C)n2C(=O)c2ccc(Cl)cc2)c1Cl ZINC000028862801 563083339 /nfs/dbraw/zinc/08/33/39/563083339.db2.gz SQFLZSNZRKFLSM-UHFFFAOYSA-N 0 0 482.363 6.240 1 0 JKAFRN CCc1c(=O)[nH]c(SCCOCc2ccc(OC)cc2)nc1[C@@H](C)c1c(F)cccc1F ZINC000028863027 563083470 /nfs/dbraw/zinc/08/34/70/563083470.db2.gz YNGVCDFBMCDGDN-HNNXBMFYSA-N 0 0 460.546 5.080 1 0 JKAFRN CCCCCn1cc(C(=O)NC23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(=O)c2cc(Cl)ccc21 ZINC000028864563 563083570 /nfs/dbraw/zinc/08/35/70/563083570.db2.gz WZXMPXLUSNRACT-GVGIJBBXSA-N 0 0 455.042 6.324 1 0 JKAFRN O=C(c1cccc2ccccc21)c1cn(Cc2ccc(Br)cc2)c2ccccc2c1=O ZINC000028864805 563083611 /nfs/dbraw/zinc/08/36/11/563083611.db2.gz KRPGWNMOSRJJHJ-UHFFFAOYSA-N 0 0 468.350 6.197 1 0 JKAFRN O=C(NCCCCN1CCN2c3ccccc3Cc3ccccc3[C@@H]2C1)c1cc2ccccc2s1 ZINC000028869900 563084079 /nfs/dbraw/zinc/08/40/79/563084079.db2.gz IBGOYLLAGSRGCH-MHZLTWQESA-N 0 0 481.665 5.879 1 0 JKAFRN CCCc1ccc(S(=O)(=O)Nc2c(Br)cc(Br)c3cccnc32)cc1 ZINC000028871534 563084172 /nfs/dbraw/zinc/08/41/72/563084172.db2.gz RIYOQCTXRZMETE-UHFFFAOYSA-N 0 0 484.213 5.513 1 0 JKAFRN CCCCCCC(C)(C)c1cccc(OCC/C=C\C/C=C\CCCC(=O)N[C@H](C)CO)c1 ZINC000028875776 563084401 /nfs/dbraw/zinc/08/44/01/563084401.db2.gz AMYLHZCZJGVTFT-IGNCQIMGSA-N 0 0 457.699 6.873 1 0 JKAFRN COc1cccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)cnc3cc(Cl)c(F)cc32)c1 ZINC000028876010 563084409 /nfs/dbraw/zinc/08/44/09/563084409.db2.gz XFJAPYVRNNFBBA-QNQFUXMYSA-N 0 0 459.926 5.267 1 0 JKAFRN CC(C)c1ccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)cnc3cc(Cl)c(F)cc32)cc1 ZINC000028876015 563084467 /nfs/dbraw/zinc/08/44/67/563084467.db2.gz PYIOSNBMOACZFE-YNDRMARASA-N 0 0 471.981 6.382 1 0 JKAFRN COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000028878320 563084584 /nfs/dbraw/zinc/08/45/84/563084584.db2.gz AYPYTDOHIKJLCK-HBNUBBOFSA-N 0 0 476.455 5.885 1 0 JKAFRN O=C1NC(=S)SC1=Cc1ccc2c(c1)N(CCc1ccc(Cl)cc1Cl)C(=O)CO2 ZINC000028883436 563084851 /nfs/dbraw/zinc/08/48/51/563084851.db2.gz KEVAKISGKYXASI-IUXPMGMMSA-N 0 0 465.383 5.291 1 0 JKAFRN COc1ccc2nccc([C@H]3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1 ZINC000028893738 563085387 /nfs/dbraw/zinc/08/53/87/563085387.db2.gz UPBONKUQKKQLND-XMMPIXPASA-N 0 0 486.399 5.708 1 0 JKAFRN COc1ccc2nccc([C@@H]3CN(C4CCN(Cc5ccc(Br)cc5)CC4)C(=O)O3)c2c1 ZINC000028893647 563085410 /nfs/dbraw/zinc/08/54/10/563085410.db2.gz HWCDHOIKZOMDSX-DEOSSOPVSA-N 0 0 496.405 5.164 1 0 JKAFRN CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(C(C)C)c3)ccc2C)n1 ZINC000028896882 563085711 /nfs/dbraw/zinc/08/57/11/563085711.db2.gz OPXHUNQHIWEERC-UHFFFAOYSA-N 0 0 454.534 5.452 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1 ZINC000028896866 563085718 /nfs/dbraw/zinc/08/57/18/563085718.db2.gz LKKLLNNNLUXMKW-UHFFFAOYSA-N 0 0 453.546 6.057 1 0 JKAFRN O=S(=O)(N[C@@H]1Cc2ccc(-c3cc4ccccc4n3CCc3ccccc3)cc2C1)c1ccccc1 ZINC000028949550 563086792 /nfs/dbraw/zinc/08/67/92/563086792.db2.gz HFJFDLQVZPHGMA-MUUNZHRXSA-N 0 0 492.644 5.997 1 0 JKAFRN COc1ccccc1C(=O)N[C@H]1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1 ZINC000028949670 563086806 /nfs/dbraw/zinc/08/68/06/563086806.db2.gz RBJGBZDZNUUOPX-QHCPKHFHSA-N 0 0 482.580 5.997 1 0 JKAFRN O=C(CC1CC1)n1c(-c2ccc3c(c2)C[C@@H](NS(=O)(=O)c2ccccc2)C3)cc2ccccc21 ZINC000028949511 563086828 /nfs/dbraw/zinc/08/68/28/563086828.db2.gz OCLUGKDGDSHUTF-DEOSSOPVSA-N 0 0 470.594 5.194 1 0 JKAFRN COC(=O)c1ccccc1OC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000028951164 563087114 /nfs/dbraw/zinc/08/71/14/563087114.db2.gz CRZSBNBIKUIWLS-BKKRHBAOSA-N 0 0 464.558 6.172 1 0 JKAFRN CC(Cc1ccc(C(=O)Nc2ccccc2N)cc1)(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000028951670 563087310 /nfs/dbraw/zinc/08/73/10/563087310.db2.gz GXZQXSHMCDBRAW-UHFFFAOYSA-N 0 0 492.579 5.347 1 0 JKAFRN O=C(Nc1nc(-c2cccc(OC(F)(F)F)c2)cs1)c1ccc(Nc2ccncn2)cc1 ZINC000028952523 563087564 /nfs/dbraw/zinc/08/75/64/563087564.db2.gz VNHDPSSCQNRDTP-UHFFFAOYSA-N 0 0 457.437 5.495 1 0 JKAFRN O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1)c1ccc(Nc2ccnnc2)cc1 ZINC000028952809 563087716 /nfs/dbraw/zinc/08/77/16/563087716.db2.gz ZZFKALBUMADZPS-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2F)cs1)c1ccc(Nc2ccccn2)cc1 ZINC000028952776 563087757 /nfs/dbraw/zinc/08/77/57/563087757.db2.gz ZETDMXNETULBJM-UHFFFAOYSA-N 0 0 458.440 6.359 1 0 JKAFRN O=C(Nc1ncc(-c2cccc(C(F)(F)F)c2F)s1)c1ccc(Nc2ccncn2)cc1 ZINC000028953149 563087862 /nfs/dbraw/zinc/08/78/62/563087862.db2.gz NFVAUBVDJKRWJD-UHFFFAOYSA-N 0 0 459.428 5.754 1 0 JKAFRN FC(F)(F)c1ccc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2Cl)cc1 ZINC000028953853 563088105 /nfs/dbraw/zinc/08/81/05/563088105.db2.gz BTYALXYBVLKQFV-UHFFFAOYSA-N 0 0 475.824 5.489 1 0 JKAFRN Cc1n[nH]c2c1c(=O)n(CC(F)(F)CN)c1cc(C3CCCCC3)c(C3CCCCC3)cc21 ZINC000028957077 563088331 /nfs/dbraw/zinc/08/83/31/563088331.db2.gz CMSSNFCWOGLFSS-UHFFFAOYSA-N 0 0 456.581 5.876 1 0 JKAFRN O=C(Nc1cccc2cnccc21)N[C@H]1CCc2cc(Br)ccc2[C@H]1Cc1ccccc1 ZINC000028959193 563088760 /nfs/dbraw/zinc/08/87/60/563088760.db2.gz GRMQPDUTUVTBPO-RSXGOPAZSA-N 0 0 486.413 6.460 1 0 JKAFRN CC(=O)Nc1nc2c(cccc2Oc2cc(-c3ccc(C(F)(F)F)cc3)nc(N(C)C)n2)s1 ZINC000028961108 563089063 /nfs/dbraw/zinc/08/90/63/563089063.db2.gz PXHNGRMBNWDZDT-UHFFFAOYSA-N 0 0 473.480 5.589 1 0 JKAFRN C[C@H](CCCNc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978176 563090246 /nfs/dbraw/zinc/09/02/46/563090246.db2.gz JNSRRQZTTJNISW-GOSISDBHSA-N 0 0 493.456 5.962 1 0 JKAFRN O=C1[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1c1ccc(-c2ccccc2)cc1F ZINC000028979519 563090421 /nfs/dbraw/zinc/09/04/21/563090421.db2.gz ZDBTYHSHLLRKTK-DEOSSOPVSA-N 0 0 494.975 5.383 1 0 JKAFRN Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccc(NCc4ccccn4)cc3s2)cc1 ZINC000029037227 563090502 /nfs/dbraw/zinc/09/05/02/563090502.db2.gz JSFUWUVMPZEHJW-UHFFFAOYSA-N 0 0 497.649 6.430 1 0 JKAFRN Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1 ZINC000029038993 563091006 /nfs/dbraw/zinc/09/10/06/563091006.db2.gz OGJRGWPKYVXPJS-UHFFFAOYSA-N 0 0 452.514 5.010 1 0 JKAFRN CCC[C@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@@H](C)CCC)c1O ZINC000029039166 563091051 /nfs/dbraw/zinc/09/10/51/563091051.db2.gz ZHOOXMZIRAGMFD-BUZBWCNWSA-N 0 0 481.677 6.906 1 0 JKAFRN CCC[C@@H](C)Oc1cc(/C=C/C(=O)NCCCc2ccc(C)c(C)c2)cc(O[C@@H](C)CCC)c1O ZINC000029039164 563091091 /nfs/dbraw/zinc/09/10/91/563091091.db2.gz ZHOOXMZIRAGMFD-MDIOPLHYSA-N 0 0 481.677 6.906 1 0 JKAFRN Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1 ZINC000029039003 563091115 /nfs/dbraw/zinc/09/11/15/563091115.db2.gz XNNFDOVUKNVDRN-UHFFFAOYSA-N 0 0 451.526 5.615 1 0 JKAFRN COc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029039882 563091286 /nfs/dbraw/zinc/09/12/86/563091286.db2.gz URUUOQUMOPTRRE-UHFFFAOYSA-N 0 0 468.605 6.176 1 0 JKAFRN COc1ccc(-c2nn3c(cc(Cl)cc3NC3CC3)c2-c2ccnc(NC3CCCC3)n2)cc1 ZINC000029040023 563091294 /nfs/dbraw/zinc/09/12/94/563091294.db2.gz CNMBLWDXHYWTLA-UHFFFAOYSA-N 0 0 474.996 6.049 1 0 JKAFRN COC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 ZINC000029042568 563091831 /nfs/dbraw/zinc/09/18/31/563091831.db2.gz HWTXIWLPSDZEKV-UHFFFAOYSA-N 0 0 495.557 5.070 1 0 JKAFRN Cc1cc(NC(=O)C(C)(C)c2ccccc2)nn1Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000029043707 563092008 /nfs/dbraw/zinc/09/20/08/563092008.db2.gz GLFSQIMAGZUNCH-UHFFFAOYSA-N 0 0 474.004 6.389 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC000029043968 563092069 /nfs/dbraw/zinc/09/20/69/563092069.db2.gz WVNKHFPCJFKWEO-UHFFFAOYSA-N 0 0 468.435 6.516 1 0 JKAFRN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2cccs2)C1 ZINC000029044241 563092204 /nfs/dbraw/zinc/09/22/04/563092204.db2.gz CIYPWPJIJPMGKL-GASCZTMLSA-N 0 0 477.424 5.230 1 0 JKAFRN Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2cccnc2)n1 ZINC000029044265 563092206 /nfs/dbraw/zinc/09/22/06/563092206.db2.gz APPZNEHVEDRDMB-UHFFFAOYSA-N 0 0 469.423 5.911 1 0 JKAFRN CCc1ccccc1-n1nc(C)cc1Oc1ccccc1NC(=O)Nc1ccc(OC(C)C)cc1 ZINC000029045557 563092347 /nfs/dbraw/zinc/09/23/47/563092347.db2.gz ASIRQFSWLNUGNM-UHFFFAOYSA-N 0 0 470.573 6.967 1 0 JKAFRN C[C@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=Cc2ncnc(N)c21 ZINC000029045888 563092426 /nfs/dbraw/zinc/09/24/26/563092426.db2.gz YQDBSXWNFJMQBE-OAQYLSRUSA-N 0 0 471.196 5.834 1 0 JKAFRN CCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1 ZINC000029045876 563092428 /nfs/dbraw/zinc/09/24/28/563092428.db2.gz IVUQPTJYHLQOSU-UHFFFAOYSA-N 0 0 482.462 6.770 1 0 JKAFRN C[C@@]1(c2ccc(Br)s2)CC(c2ccc(Br)s2)=Cc2ncnc(N)c21 ZINC000029045891 563092434 /nfs/dbraw/zinc/09/24/34/563092434.db2.gz YHKUQCJEVCIGHL-KRWDZBQOSA-N 0 0 483.254 5.957 1 0 JKAFRN CCOc1ccc(Cc2nc3cc([S@](=O)CC)c(Cl)cc3n2CC2CCOCC2)cc1 ZINC000029046974 563092487 /nfs/dbraw/zinc/09/24/87/563092487.db2.gz OMIYEBXRFHNCTA-HKBQPEDESA-N 0 0 461.027 5.233 1 0 JKAFRN CCOc1ccc(Cc2nc3cc(S(=O)(=O)CC)c(Cl)cc3n2CC2CCCCC2)cc1 ZINC000029046821 563092504 /nfs/dbraw/zinc/09/25/04/563092504.db2.gz UQNVFSYVEVXLQB-UHFFFAOYSA-N 0 0 475.054 6.053 1 0 JKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(C(F)(F)F)c4)cc3)oc2c(C)c1 ZINC000029049154 563092782 /nfs/dbraw/zinc/09/27/82/563092782.db2.gz INCBAWARVUSCRU-UHFFFAOYSA-N 0 0 474.866 6.801 1 0 JKAFRN Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4OC(F)(F)F)cc3)oc2c(C)c1 ZINC000029049291 563092797 /nfs/dbraw/zinc/09/27/97/563092797.db2.gz SACZXYGUCAZXNW-UHFFFAOYSA-N 0 0 456.420 6.028 1 0 JKAFRN O=C(c1cc2c(cc1F)O[C@](c1ccccc1F)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1 ZINC000029052584 563093073 /nfs/dbraw/zinc/09/30/73/563093073.db2.gz BGIZUEHCDIDGNP-DEOSSOPVSA-N 0 0 492.305 5.417 1 0 JKAFRN Nc1ccccc1NC(=O)CCCCSc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1 ZINC000029053017 563093150 /nfs/dbraw/zinc/09/31/50/563093150.db2.gz LCCPRVAYIRXPSF-UHFFFAOYSA-N 0 0 470.598 5.587 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1cccc2cc(OC)ccc21 ZINC000029052938 563093157 /nfs/dbraw/zinc/09/31/57/563093157.db2.gz HQBLZHWZRVRHLQ-GDLZYMKVSA-N 0 0 480.652 7.558 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1ccc2ccccc2c1 ZINC000029053171 563093159 /nfs/dbraw/zinc/09/31/59/563093159.db2.gz GFMFLTMFBXRFAL-MUUNZHRXSA-N 0 0 450.626 7.549 1 0 JKAFRN CCOc1cc(-c2c(CC)cccc2CC)nc2c1[C@H](N(CC)c1cccc3ccccc31)CCC2 ZINC000029052909 563093164 /nfs/dbraw/zinc/09/31/64/563093164.db2.gz BQMYVJFIUYEZOY-SSEXGKCCSA-N 0 0 478.680 8.329 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1cccc2c(OC)cccc21 ZINC000029052941 563093189 /nfs/dbraw/zinc/09/31/89/563093189.db2.gz NACXQSITAPZCKT-NDEPHWFRSA-N 0 0 480.652 7.558 1 0 JKAFRN O=C(c1ccc2c(c1)O[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCOCC1 ZINC000029055031 563093435 /nfs/dbraw/zinc/09/34/35/563093435.db2.gz GNUDAIROHJOQGV-DEOSSOPVSA-N 0 0 474.315 5.277 1 0 JKAFRN COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(-c4ccccc4)c[nH]3)c2c1 ZINC000029054657 563093443 /nfs/dbraw/zinc/09/34/43/563093443.db2.gz DBOGSXSBFWKDRX-SANMLTNESA-N 0 0 486.616 5.815 1 0 JKAFRN CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(C(=O)c4c(Cl)cc(Cl)cc4Cl)c3)c2C1 ZINC000029054505 563093450 /nfs/dbraw/zinc/09/34/50/563093450.db2.gz OMJAJFDTJSLAQK-NSHDSACASA-N 0 0 495.794 5.923 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N1CCc2c(cccc2C(F)(F)F)C1 ZINC000029054551 563093464 /nfs/dbraw/zinc/09/34/64/563093464.db2.gz UDTAEZDALNOXEQ-AREMUKBSSA-N 0 0 494.601 7.337 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(Cl)c2c(n1)CCC[C@@H]2N(CC)c1cccc2ccccc21 ZINC000029055079 563093469 /nfs/dbraw/zinc/09/34/69/563093469.db2.gz ILSLWVXGACTXAA-LJAQVGFWSA-N 0 0 469.072 8.584 1 0 JKAFRN CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4c3C[C@H](C(C)(C)C)CC4)cn2)cc1 ZINC000029054648 563093488 /nfs/dbraw/zinc/09/34/88/563093488.db2.gz DOPHIHNKZIAKJQ-LJQANCHMSA-N 0 0 478.593 5.278 1 0 JKAFRN Nc1ccccc1NC(=O)CCCCCc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1 ZINC000029055187 563093547 /nfs/dbraw/zinc/09/35/47/563093547.db2.gz QJKSPKFVGMKVAJ-UHFFFAOYSA-N 0 0 452.558 5.428 1 0 JKAFRN COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1CCCc1ccccc1 ZINC000029063028 563094081 /nfs/dbraw/zinc/09/40/81/563094081.db2.gz DOQRPWCYSAVGDC-UHFFFAOYSA-N 0 0 476.370 5.850 1 0 JKAFRN Cn1c(CC(=O)Nc2ccc(OC(F)(F)F)cc2)cs/c1=N\c1cccc(Br)c1 ZINC000029125140 563094616 /nfs/dbraw/zinc/09/46/16/563094616.db2.gz DLTYTRCFFSYIGO-BWAHOGKJSA-N 0 0 486.313 5.161 1 0 JKAFRN Cn1c(-c2ccccc2C(F)(F)F)cnc1C12CCC(c3nc(-c4ccc(F)cc4)c[nH]3)(CC1)CC2 ZINC000029126468 563095161 /nfs/dbraw/zinc/09/51/61/563095161.db2.gz KYQUYWLJCGKCCY-UHFFFAOYSA-N 0 0 494.536 7.179 1 0 JKAFRN CCc1cccc(-c2sc(NCc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1 ZINC000029127010 563095396 /nfs/dbraw/zinc/09/53/96/563095396.db2.gz IFRXSCWTNBBXGH-UHFFFAOYSA-N 0 0 466.570 5.089 1 0 JKAFRN O[C@H]1CCc2c(Br)ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 ZINC000029127339 563095607 /nfs/dbraw/zinc/09/56/07/563095607.db2.gz WJZHLKGGAKMHSR-AWEZNQCLSA-N 0 0 464.285 5.518 1 0 JKAFRN CCCCS(=O)(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]2(Cc2ccc(F)cc2)C1 ZINC000029128339 563096138 /nfs/dbraw/zinc/09/61/38/563096138.db2.gz DYZUEMUBWZBGSS-MHZLTWQESA-N 0 0 497.611 5.155 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@H](CC(C)C)NC23CCCCCC3)c1 ZINC000029129072 563096574 /nfs/dbraw/zinc/09/65/74/563096574.db2.gz LAFPBLYKSDELCU-OFVILXPXSA-N 0 0 466.670 5.721 1 0 JKAFRN CC(C)OC(=O)c1ccc(NC(=O)CN(C)C(=O)OCc2ccccc2)cc1-c1cccc(Cl)c1 ZINC000029129704 563096769 /nfs/dbraw/zinc/09/67/69/563096769.db2.gz AJWUISYLFMJOCM-UHFFFAOYSA-N 0 0 494.975 5.779 1 0 JKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](OCCC(C)C)c2ccccc2-3)cc1 ZINC000029130157 563096876 /nfs/dbraw/zinc/09/68/76/563096876.db2.gz PNHPYHRCXGZARG-GDLZYMKVSA-N 0 0 453.582 6.499 1 0 JKAFRN COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](OCCC(C)C)c2ccccc2-3)cc1 ZINC000029130158 563096911 /nfs/dbraw/zinc/09/69/11/563096911.db2.gz PNHPYHRCXGZARG-LJAQVGFWSA-N 0 0 453.582 6.499 1 0 JKAFRN CC(C)(C)Cn1cnc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccc(F)cc3)nc21 ZINC000029131527 563097123 /nfs/dbraw/zinc/09/71/23/563097123.db2.gz MRTSPTRJKFTETB-UHFFFAOYSA-N 0 0 461.491 6.619 1 0 JKAFRN COc1ccc(CN2CCN(Cc3ccc(OC)cc3)C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000029131988 563097213 /nfs/dbraw/zinc/09/72/13/563097213.db2.gz DHMOMMQWBRFRNG-UHFFFAOYSA-N 0 0 457.401 6.027 1 0 JKAFRN CC(C)COc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000029131851 563097252 /nfs/dbraw/zinc/09/72/52/563097252.db2.gz DEAAXOIQXULJJB-VWLOTQADSA-N 0 0 467.993 5.606 1 0 JKAFRN COc1cc(NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)cc(OC)c1OC ZINC000029131954 563097263 /nfs/dbraw/zinc/09/72/63/563097263.db2.gz SMUADROZVBFSJY-UHFFFAOYSA-N 0 0 495.885 6.084 1 0 JKAFRN CS(=O)(=O)c1ccc(-c2nc(NCc3csc4ccccc34)cc(C(F)(F)F)n2)cc1 ZINC000029132208 563097286 /nfs/dbraw/zinc/09/72/86/563097286.db2.gz QFCAYYXTESRCMF-UHFFFAOYSA-N 0 0 463.506 5.393 1 0 JKAFRN CC(=O)c1ccc(-c2sc(N)c(C(=O)c3ccccc3)c2-c2cccc(C(F)(F)F)c2)cc1 ZINC000029132815 563097445 /nfs/dbraw/zinc/09/74/45/563097445.db2.gz MFTXILVQFRKLIY-UHFFFAOYSA-N 0 0 465.496 7.117 1 0 JKAFRN CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1c(C)n(-c2ccccc2)nc1C(=O)Nc1ccccc1 ZINC000029133306 563097578 /nfs/dbraw/zinc/09/75/78/563097578.db2.gz DHLMANPLLHSXQQ-UHFFFAOYSA-N 0 0 489.535 5.052 1 0 JKAFRN COc1cc2ncnc(Oc3ccc4c(cccc4C(=O)Nc4ccc(Cl)cc4)c3)c2cc1OC ZINC000029134366 563097735 /nfs/dbraw/zinc/09/77/35/563097735.db2.gz CGYFTXHGLOCTTK-UHFFFAOYSA-N 0 0 485.927 6.498 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)N[C@H](C)c3ccccc3)c2cc1OC ZINC000029134229 563097738 /nfs/dbraw/zinc/09/77/38/563097738.db2.gz DJNWXYTWORPJNI-GOSISDBHSA-N 0 0 485.540 5.714 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)NCc3ccc(C)cc3)c2cc1OC ZINC000029134267 563097741 /nfs/dbraw/zinc/09/77/41/563097741.db2.gz RKFUKWHBZZWJNX-UHFFFAOYSA-N 0 0 485.540 5.461 1 0 JKAFRN COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3)c2cc1OC ZINC000029134362 563097820 /nfs/dbraw/zinc/09/78/20/563097820.db2.gz CXDZGSNFZYGQSZ-UHFFFAOYSA-N 0 0 475.476 5.614 1 0 JKAFRN c1ccc(COC[C@H](OCc2ccccc2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 ZINC000029202910 563098198 /nfs/dbraw/zinc/09/81/98/563098198.db2.gz XBQYCDNCWQKKRO-YTTGMZPUSA-N 0 0 475.588 7.289 1 0 JKAFRN O=C(Nc1c2c(nc3ccccc31)N(Cc1cccc(Cl)c1)CC2)C12CC3CC(CC(C3)C1)C2 ZINC000029212290 563098561 /nfs/dbraw/zinc/09/85/61/563098561.db2.gz DCBNFBUBDQYVAI-UHFFFAOYSA-N 0 0 472.032 6.606 1 0 JKAFRN COC(=O)c1ccc(NC(=O)CCCCCCCCCCOc2ccc(C(=O)OC)cc2)cc1 ZINC000029212948 563098613 /nfs/dbraw/zinc/09/86/13/563098613.db2.gz NKKTXKHWLPKMCU-UHFFFAOYSA-N 0 0 469.578 5.788 1 0 JKAFRN O=C1c2c(Cl)cc([O-])cc2O[C@H](c2ccc(OCC[NH+]3CCCCC3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000029219775 563098754 /nfs/dbraw/zinc/09/87/54/563098754.db2.gz BUPQBCXHDXWGHQ-LEAFIULHSA-N 0 0 493.987 5.716 1 0 JKAFRN O=C(Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2)c1c(F)cccc1C(F)(F)F ZINC000029217430 563098762 /nfs/dbraw/zinc/09/87/62/563098762.db2.gz DGVDASKKALPIML-UHFFFAOYSA-N 0 0 465.450 5.630 1 0 JKAFRN CCOC(=O)c1ccc(NCCCCCCCCCCCNc2ccc(C(=O)OCC)cc2)cc1 ZINC000029217183 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CC(C)N(C(=O)[C@@H](c1cccnc1)[C@@H](CNC(=O)NCCc1ccccc1)c1ccccc1)C(C)C ZINC000034987040 563118047 /nfs/dbraw/zinc/11/80/47/563118047.db2.gz QCAXZVDPYLKDGZ-NSOVKSMOSA-N 0 0 486.660 5.136 1 0 JKAFRN Cc1nnc(SCC(=O)Nc2ccccc2Br)n1-c1ccc(C)c2cc(C)ccc21 ZINC000035002920 563118181 /nfs/dbraw/zinc/11/81/81/563118181.db2.gz YZRYYAKOPZJRCV-UHFFFAOYSA-N 0 0 481.419 5.839 1 0 JKAFRN COc1ccc2c(Cc3ccc(C(F)(F)F)cc3)c3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000035014889 563118345 /nfs/dbraw/zinc/11/83/45/563118345.db2.gz KQKVFDBRCRPLST-UHFFFAOYSA-N 0 0 479.454 5.523 1 0 JKAFRN CCCCc1nc(CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)c[nH]1 ZINC000035064329 563118568 /nfs/dbraw/zinc/11/85/68/563118568.db2.gz GEHKGKWUUHCQHS-LJAQVGFWSA-N 0 0 451.570 5.826 1 0 JKAFRN C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(C(=O)[O-])c1 ZINC000035075259 563118788 /nfs/dbraw/zinc/11/87/88/563118788.db2.gz ILKDAQHWNBLOEZ-XDFFSJMGSA-N 0 0 454.614 5.610 1 0 JKAFRN Cc1cn(C/C=C\COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000035080006 563118943 /nfs/dbraw/zinc/11/89/43/563118943.db2.gz REWNSLVXVLBEQF-HJWRWDBZSA-N 0 0 472.972 5.063 1 0 JKAFRN Cc1cn(CCCCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O ZINC000035079995 563118963 /nfs/dbraw/zinc/11/89/63/563118963.db2.gz SFNKSIIBUILCIH-UHFFFAOYSA-N 0 0 496.651 6.194 1 0 JKAFRN O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1CCCNc1ccnc2cc(Cl)ccc21 ZINC000035091177 563119209 /nfs/dbraw/zinc/11/92/09/563119209.db2.gz KBIRNZFYACVASO-NRFANRHFSA-N 0 0 466.821 6.271 1 0 JKAFRN CCCCCCN(C(=O)c1ccccc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC ZINC000035094426 563119225 /nfs/dbraw/zinc/11/92/25/563119225.db2.gz CQULUYZZKPHDIF-AREMUKBSSA-N 0 0 497.639 6.568 1 0 JKAFRN CCCCC(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc21)Cc1ccccc1OC ZINC000035095899 563119318 /nfs/dbraw/zinc/11/93/18/563119318.db2.gz VCDMBGIFIGMLFT-NRFANRHFSA-N 0 0 463.622 6.052 1 0 JKAFRN CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)C1CCC1 ZINC000035229256 563119383 /nfs/dbraw/zinc/11/93/83/563119383.db2.gz KGXURCDXGLPKNG-NDEPHWFRSA-N 0 0 471.601 5.351 1 0 JKAFRN CC(=O)c1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CN3C(=O)c4ccccc4C3=O)CCC[C@]21C ZINC000035270623 563119749 /nfs/dbraw/zinc/11/97/49/563119749.db2.gz COBSQQVCNYMFPL-BHBSRLOASA-N 0 0 457.614 6.319 1 0 JKAFRN CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc1O ZINC000035276602 563119998 /nfs/dbraw/zinc/11/99/98/563119998.db2.gz CGJIPMVTBQUUQL-GEDZTWKOSA-N 0 0 464.602 5.973 1 0 in-vitro JKAFRN COc1cc2c(cc1OC)Sc1nc(C)nc(Nc3cccc(Br)c3)c1NC2 ZINC000035821007 563120459 /nfs/dbraw/zinc/12/04/59/563120459.db2.gz MEFKCNDTZHOSPM-UHFFFAOYSA-N 0 0 459.369 5.385 1 0 JKAFRN CC(C)(C)c1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3n[nH]cc31)CCN2Cc1ccccc1 ZINC000035833280 563120591 /nfs/dbraw/zinc/12/05/91/563120591.db2.gz SFXDORUIZFRXSG-DEOSSOPVSA-N 0 0 453.590 6.134 1 0 JKAFRN CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000035850686 563120729 /nfs/dbraw/zinc/12/07/29/563120729.db2.gz VFSRZCKMEBJXOY-UNOMPAQXSA-N 0 0 484.375 5.367 1 0 JKAFRN FC(F)(F)c1cc2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c(-c2nccs2)c1 ZINC000035881794 563121065 /nfs/dbraw/zinc/12/10/65/563121065.db2.gz XCNFCMREGLGKMX-UHFFFAOYSA-N 0 0 498.456 5.446 1 0 JKAFRN C[C@H](CC[C@@H]1O[C@]1(C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O ZINC000035902961 563121094 /nfs/dbraw/zinc/12/10/94/563121094.db2.gz DHGMYNLRIYMOGS-AGHVMXEASA-N 0 0 470.694 6.050 1 0 in-vitro JKAFRN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2OC(C)C)C2=C(C[C@@H](c3ccco3)CC2=O)N1 ZINC000035913044 563121211 /nfs/dbraw/zinc/12/12/11/563121211.db2.gz OOUQFJJUJVRKSR-IOKPGSKQSA-N 0 0 491.584 5.991 1 0 JKAFRN O=C(CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1 ZINC000035903808 563121225 /nfs/dbraw/zinc/12/12/25/563121225.db2.gz CEXBUHRJNQKOBZ-HKBQPEDESA-N 0 0 496.054 6.412 1 0 JKAFRN O=C(CN1CCN([C@@H](c2ccccc2)c2cccc(Cl)c2)CC1)N(c1ccccc1)c1ccccc1 ZINC000035922748 563121272 /nfs/dbraw/zinc/12/12/72/563121272.db2.gz NTCNYPJNYIBPSC-HKBQPEDESA-N 0 0 496.054 6.412 1 0 JKAFRN CN1CC[NH+]([C@@H]2COc3ccccc3-c3c(C4CCCCC4)c4ccc(C(=O)[O-])cc4n3C2)CC1 ZINC000035939960 563121490 /nfs/dbraw/zinc/12/14/90/563121490.db2.gz KJZBMVNHANPLFP-QFIPXVFZSA-N 0 0 473.617 5.063 1 0 JKAFRN CC(C)(C)c1cc(CN2CCS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 ZINC000035952731 563121578 /nfs/dbraw/zinc/12/15/78/563121578.db2.gz QFWIDJLAEBFXSY-UHFFFAOYSA-N 0 0 471.648 5.073 1 0 JKAFRN CCCn1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)nc1C ZINC000035974353 563121609 /nfs/dbraw/zinc/12/16/09/563121609.db2.gz GUXNAMPRELBVQO-UHFFFAOYSA-N 0 0 470.665 5.765 1 0 JKAFRN O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000035974873 563121642 /nfs/dbraw/zinc/12/16/42/563121642.db2.gz RLEMIIBGFDBVBD-WJOKGBTCSA-N 0 0 496.054 6.412 1 0 JKAFRN CCc1nc(Cl)c(C2C(C(=O)OC3CCCCC3)=C(C)NC(C)=C2C(=O)OC2CCCCC2)[nH]1 ZINC000035985581 563121772 /nfs/dbraw/zinc/12/17/72/563121772.db2.gz GCUHVGJLOATSCT-UHFFFAOYSA-N 0 0 490.044 5.612 1 0 JKAFRN FC(F)(F)Oc1ccc(Cn2c3ccccc3nc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000035998387 563121780 /nfs/dbraw/zinc/12/17/80/563121780.db2.gz USFLLYIPZKRUAK-UHFFFAOYSA-N 0 0 452.354 6.549 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F ZINC000036126946 563122617 /nfs/dbraw/zinc/12/26/17/563122617.db2.gz SHMSWZKRGNJFAM-UHFFFAOYSA-N 0 0 474.966 5.593 1 0 JKAFRN COC(=O)C[C@H](c1cccc(-c2c(C)noc2C)c1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 ZINC000036159794 563122933 /nfs/dbraw/zinc/12/29/33/563122933.db2.gz GUYZVPLNHXHNFV-SHQCIBLASA-N 0 0 477.605 5.429 1 0 JKAFRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036160918 563123021 /nfs/dbraw/zinc/12/30/21/563123021.db2.gz CDLWUVFLMVGQGL-XMMPIXPASA-N 0 0 465.525 5.548 1 0 JKAFRN CC(=O)NCc1ccn2c(c1)nc(-c1ccc(F)cc1)c2-c1ccnc([C@@H](C)c2ccccc2)n1 ZINC000036161104 563123040 /nfs/dbraw/zinc/12/30/40/563123040.db2.gz MVFOODAIQUTQDQ-SFHVURJKSA-N 0 0 465.532 5.385 1 0 JKAFRN COC(=O)CCC[C@]1(C)CCC[C@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000036175681 563123137 /nfs/dbraw/zinc/12/31/37/563123137.db2.gz RPMAGSXCVXNPGV-RPWUZVMVSA-N 0 0 484.992 6.211 1 0 JKAFRN COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCCCC3)cn2)c(F)c1 ZINC000036161573 563123146 /nfs/dbraw/zinc/12/31/46/563123146.db2.gz RVONHBDBVVBQSJ-UHFFFAOYSA-N 0 0 465.500 5.052 1 0 JKAFRN O=C([O-])C[C@@H]1C[NH2+][C@@H](c2ccc(-c3noc(-c4ccc([C@@H]5CCC(F)(F)C5)cc4)n3)cc2)C1 ZINC000036178504 563123446 /nfs/dbraw/zinc/12/34/46/563123446.db2.gz BLLBAGSMDDITHA-IPHXSNPTSA-N 0 0 453.489 5.432 1 0 JKAFRN CCCCCN(C(=O)c1ccccc1)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036189592 563124022 /nfs/dbraw/zinc/12/40/22/563124022.db2.gz HKPRPTRQOGLUMA-JDGWIWAWSA-N 0 0 478.721 6.551 1 0 JKAFRN COc1ccc(N(C(=O)C(C)C)[C@H]2CC[C@@H]3[C@H]4CC[C@H]5N(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000036189639 563124023 /nfs/dbraw/zinc/12/40/23/563124023.db2.gz RVWWYYYXZGBXRH-WVPQBYQWSA-N 0 0 480.693 5.916 1 0 JKAFRN CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4N(C(=O)c4ccccc4)c4ccccc4)[C@@H]3CC[C@@H]12 ZINC000036188483 563124026 /nfs/dbraw/zinc/12/40/26/563124026.db2.gz FGXXHFWGZTYOIF-MFVRRPMISA-N 0 0 484.684 6.565 1 0 JKAFRN CCCCCN(C(=O)CCCC)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036189642 563124028 /nfs/dbraw/zinc/12/40/28/563124028.db2.gz UXPXDVPWMPHDER-VFRKKVTHSA-N 0 0 458.731 6.427 1 0 JKAFRN CCCC[C@H]1Nc2ccc(CC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000036222191 563124526 /nfs/dbraw/zinc/12/45/26/563124526.db2.gz DVARCAMKSZOPNA-SANMLTNESA-N 0 0 466.589 5.680 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000036294855 563125566 /nfs/dbraw/zinc/12/55/66/563125566.db2.gz ZLRSQTMAGSCJBZ-MHECFPHRSA-N 0 0 489.965 7.047 1 0 JKAFRN C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000036294825 563125572 /nfs/dbraw/zinc/12/55/72/563125572.db2.gz HAMLZAXSMZZNHH-XDHUDOTRSA-N 0 0 490.858 7.335 1 0 JKAFRN COC(=O)c1ccccc1-c1ccc2c(c1)CN(C(C)=O)c1ccc(Br)cc1CC2 ZINC000036311186 563125683 /nfs/dbraw/zinc/12/56/83/563125683.db2.gz APBUQJIFECIIKA-UHFFFAOYSA-N 0 0 464.359 5.554 1 0 JKAFRN Cc1cc(C)cc(/C(F)=C2/CC[C@H](NC(=O)c3ccnc4ccccc43)C[C@@H]2Cc2ccccc2)c1 ZINC000036323808 563125779 /nfs/dbraw/zinc/12/57/79/563125779.db2.gz WSCXFZWPQPJUAS-APSZOBCBSA-N 0 0 478.611 7.374 1 0 JKAFRN CN(C)C(=O)N[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324309 563125800 /nfs/dbraw/zinc/12/58/00/563125800.db2.gz NPFFIZUPJRNPPA-AABGKKOBSA-N 0 0 474.445 5.827 1 0 JKAFRN COC(=O)N(C)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324226 563125805 /nfs/dbraw/zinc/12/58/05/563125805.db2.gz XLQRBGCAMPLWHK-AABGKKOBSA-N 0 0 475.429 6.254 1 0 JKAFRN CCCN(CC1CC1)c1nc(C)nc2c1sc(=S)n2-c1ccc(C(C)C)cc1Br ZINC000036322152 563125806 /nfs/dbraw/zinc/12/58/06/563125806.db2.gz GVAHQUYUMYBUDG-UHFFFAOYSA-N 0 0 491.524 7.032 1 0 JKAFRN COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc3ccc(Cl)cc3)c2c1 ZINC000036338718 563126330 /nfs/dbraw/zinc/12/63/30/563126330.db2.gz RSTTVCLDERVLTG-VWLOTQADSA-N 0 0 498.023 5.344 1 0 JKAFRN COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc3ccccc3Cl)c2c1 ZINC000036338724 563126450 /nfs/dbraw/zinc/12/64/50/563126450.db2.gz PPCBFPVRIUFRPQ-VWLOTQADSA-N 0 0 498.023 5.344 1 0 JKAFRN CCOC(=O)CCC(=O)Nc1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc31)O2 ZINC000036379113 563127370 /nfs/dbraw/zinc/12/73/70/563127370.db2.gz MXFOIGQGTNGWLK-HSZRJFAPSA-N 0 0 453.498 5.198 3 0 JKAFRN CCCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)c1c(cc(C)n(-c3ccccc3)c1=O)O2 ZINC000036379173 563127468 /nfs/dbraw/zinc/12/74/68/563127468.db2.gz FIEOOVOHHKKXAI-XTEPFMGCSA-N 0 0 461.558 5.494 1 0 JKAFRN COc1ccc([C@]23Cc4ccccc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000036379224 563127473 /nfs/dbraw/zinc/12/74/73/563127473.db2.gz ZYDSXKKONVKPRN-YTMVLYRLSA-N 0 0 451.522 5.121 1 0 JKAFRN O=C(NCCCCc1ccccc1)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000036381435 563127690 /nfs/dbraw/zinc/12/76/90/563127690.db2.gz KEOSHYYJTMQWFO-UHFFFAOYSA-N 0 0 498.490 5.928 1 0 JKAFRN O=S(=O)(c1cccc2ccccc21)N1CCN(c2nc(-c3cccs3)nc3ccccc32)CC1 ZINC000036381375 563127716 /nfs/dbraw/zinc/12/77/16/563127716.db2.gz WYKXNNQTFHWIJH-UHFFFAOYSA-N 0 0 486.622 5.022 1 0 JKAFRN CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](C)CC3=CCC[C@H]32)c2c1cccc2Br ZINC000036381962 563127823 /nfs/dbraw/zinc/12/78/23/563127823.db2.gz MCZFHWKSODZEFZ-TWRSYJPVSA-N 0 0 470.451 6.829 1 0 JKAFRN COc1cc2c(c(OC)c1OC)CC(c1ccccc1)=C(c1ccccc1)C[C@H]2NC(=O)C(F)(F)F ZINC000036381932 563127860 /nfs/dbraw/zinc/12/78/60/563127860.db2.gz ZXNYGXJAZWOLRO-HSZRJFAPSA-N 0 0 497.513 5.989 3 0 JKAFRN CC1=C[C@@H](COCc2ccccc2)O[C@]2(C1)c1ccccc1N(Cc1ccccc1C(F)(F)F)C2=O ZINC000036381966 563127875 /nfs/dbraw/zinc/12/78/75/563127875.db2.gz WVPPGAPYZMZAAX-NEKDWFFYSA-N 0 0 493.525 6.400 3 0 JKAFRN COC(=O)c1ccc(CN2c3ccccc3[C@]3(CC(C)=CC[C@@H](COc4ccccc4)O3)C2=O)cc1 ZINC000036381986 563127877 /nfs/dbraw/zinc/12/78/77/563127877.db2.gz MZDVCFYYHIHCIY-SETSBSEESA-N 0 0 483.564 5.420 3 0 JKAFRN COc1ccc(CSc2ccc(-c3nc4ccccn4c3NCc3ccccc3)cc2OC)cc1 ZINC000036382352 563127898 /nfs/dbraw/zinc/12/78/98/563127898.db2.gz WTVOILTUTYYFGK-UHFFFAOYSA-N 0 0 481.621 6.923 3 0 JKAFRN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3nc(CCc4ccccc4)[nH]c(=O)c32)cc1OC ZINC000036382507 563128119 /nfs/dbraw/zinc/12/81/19/563128119.db2.gz KNLOOSHRHMZRET-MHZLTWQESA-N 0 0 490.559 6.011 1 0 JKAFRN COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000036384233 563128418 /nfs/dbraw/zinc/12/84/18/563128418.db2.gz HOMPUUXCIYRAIV-XUZZJYLKSA-N 0 0 478.564 5.174 3 0 JKAFRN COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036384308 563128447 /nfs/dbraw/zinc/12/84/47/563128447.db2.gz SHMOJSMSTLYURE-SCLBCKFNSA-N 0 0 468.859 5.025 3 0 JKAFRN COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(Cl)ccc3C(=O)N12 ZINC000036387361 563129258 /nfs/dbraw/zinc/12/92/58/563129258.db2.gz ACNYIVHWDXKRJD-MBPYSEENSA-N 0 0 474.944 5.049 3 0 JKAFRN Cc1ccc(-c2c3ccccc3ccc2[C@@H]2[C@@H]3C=CCC[C@]3(C)C(=O)N2Cc2ccccc2)cc1 ZINC000036388300 563129384 /nfs/dbraw/zinc/12/93/84/563129384.db2.gz RQHUEKRKLCEMRZ-VLDRXUDMSA-N 0 0 457.617 7.871 1 0 JKAFRN COc1ccc(-c2ccc([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC ZINC000036388396 563129433 /nfs/dbraw/zinc/12/94/33/563129433.db2.gz SMKIVOGOMKHMBF-QYTWNYEOSA-N 0 0 471.572 6.422 1 0 JKAFRN COc1ccc([C@@H]2C=CCN(C(=O)C3CCCCC3)[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388526 563129470 /nfs/dbraw/zinc/12/94/70/563129470.db2.gz CVPSWYYOBYZPAO-IBVKSMDESA-N 0 0 464.581 5.271 1 0 JKAFRN COc1ccc(-c2ccc3c(c2)c(-c2cccs2)c(-c2cc(OC)cc(OC)c2)n3C)c(F)c1 ZINC000036388828 563129650 /nfs/dbraw/zinc/12/96/50/563129650.db2.gz QRVOKRXBIPNNGX-UHFFFAOYSA-N 0 0 473.569 7.406 3 0 JKAFRN COc1ccc(-c2ccc3c(c2)c(-c2cccs2)c(-c2cc(OC)cc(OC)c2)n3C)cc1 ZINC000036388826 563129661 /nfs/dbraw/zinc/12/96/61/563129661.db2.gz WFFJSULWHBQOBT-UHFFFAOYSA-N 0 0 455.579 7.267 3 0 JKAFRN CCOC(=O)c1ccc(-c2c3cc4c(cc3sc2-c2ccccc2OC)OCO4)cc1F ZINC000036388683 563129667 /nfs/dbraw/zinc/12/96/67/563129667.db2.gz LPZRYXHOXBRPSM-UHFFFAOYSA-N 0 0 450.487 6.288 3 0 JKAFRN COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OC)nc4)ccc3n2C)c1 ZINC000036388822 563129670 /nfs/dbraw/zinc/12/96/70/563129670.db2.gz RKCOECXIIMAHTG-UHFFFAOYSA-N 0 0 456.567 6.662 3 0 JKAFRN COc1cc(O)cc(CCCCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 ZINC000036404024 563129873 /nfs/dbraw/zinc/12/98/73/563129873.db2.gz NJAYBTLRHRIKOW-IHWYPQMZSA-N 0 0 454.651 7.835 1 0 JKAFRN Clc1ccc([C@@H](COCc2ccc(OCc3ccccc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000036446019 563130219 /nfs/dbraw/zinc/13/02/19/563130219.db2.gz ROFBUOPSHLHPOO-OAQYLSRUSA-N 0 0 468.384 6.165 1 0 JKAFRN COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000036473576 563130348 /nfs/dbraw/zinc/13/03/48/563130348.db2.gz MRFLNAJRPHKGLY-QGZVFWFLSA-N 0 0 487.194 6.119 1 0 JKAFRN Cc1sc(C(=O)CCc2cc(C)c(OCCC[NH2+]CC(=O)[O-])c(C)c2)c2c1[C@H]1[C@@H](C2)C1(C)C ZINC000036479031 563130521 /nfs/dbraw/zinc/13/05/21/563130521.db2.gz DEMFDNQIAALUBK-HYBUGGRVSA-N 0 0 469.647 5.228 1 0 JKAFRN CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(C(F)(F)F)c2)cc1 ZINC000036487242 563130624 /nfs/dbraw/zinc/13/06/24/563130624.db2.gz IYNWFSGMQMALQB-UHFFFAOYSA-N 0 0 472.598 5.424 1 0 JKAFRN CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1 ZINC000036487243 563130663 /nfs/dbraw/zinc/13/06/63/563130663.db2.gz QDXCHOJFXREFOV-UHFFFAOYSA-N 0 0 472.598 5.424 1 0 JKAFRN COc1ccc(N2C(=S)N=NC2CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000036729281 563130791 /nfs/dbraw/zinc/13/07/91/563130791.db2.gz MDRGRGNHYNPKGF-UHFFFAOYSA-N 0 0 472.599 5.105 1 0 JKAFRN Cc1ccn2c(c1)nc(-c1ccccc1OC(=O)[C@@H]1C[C@H]1c1ccccc1)c2NC(C)(C)CC(C)(C)C ZINC000037666795 563130846 /nfs/dbraw/zinc/13/08/46/563130846.db2.gz AHUMYXYGCWSEBE-LOSJGSFVSA-N 0 0 495.667 7.646 1 0 JKAFRN COc1cccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(-c4ccccc4)c(=N)c32)c1OC ZINC000038142022 563131323 /nfs/dbraw/zinc/13/13/23/563131323.db2.gz SRCMKVWULBOOMX-VWLOTQADSA-N 0 0 461.521 5.808 3 0 JKAFRN COc1ccc([C@H]2c3c(ccc4ccccc43)Oc3ncn(CCc4ccccc4)c(=N)c32)cc1OC ZINC000038142448 563131332 /nfs/dbraw/zinc/13/13/32/563131332.db2.gz CFBQCHSQTBNVOS-MHZLTWQESA-N 0 0 489.575 6.062 1 0 JKAFRN COc1cc2c(c(OC)c1OC)C(c1ccccc1)(c1ccccc1)C[C@@H]2NC(=O)C(F)(F)F ZINC000038142328 563131343 /nfs/dbraw/zinc/13/13/43/563131343.db2.gz XABQNSIWZIEHSH-IBGZPJMESA-N 0 0 471.475 5.170 1 0 JKAFRN CC(C)CCn1c(Cn2c3ccccc3n(C(=O)Nc3ccccc3)c2=O)nc2ccccc21 ZINC000038142837 563131451 /nfs/dbraw/zinc/13/14/51/563131451.db2.gz DFPILDUYKCQGBN-UHFFFAOYSA-N 0 0 453.546 5.327 1 0 JKAFRN O=C(Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4CC4(F)F)ccc3[nH]2)cc1)c1ccccc1Cl ZINC000038147878 563131925 /nfs/dbraw/zinc/13/19/25/563131925.db2.gz YYBRDJACMSSFST-KRWDZBQOSA-N 0 0 466.875 5.729 1 0 JKAFRN COC(=O)[C@@]1(c2ccccc2)CCCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000038149614 563131966 /nfs/dbraw/zinc/13/19/66/563131966.db2.gz HFFCHXHRFPTTEV-IBGZPJMESA-N 0 0 461.402 5.058 1 0 JKAFRN COC(=O)[C@]1(c2ccccc2)CCCCN1c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000038149613 563132003 /nfs/dbraw/zinc/13/20/03/563132003.db2.gz HFFCHXHRFPTTEV-LJQANCHMSA-N 0 0 461.402 5.058 1 0 JKAFRN O=c1c2sc(-c3ccccc3Cl)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1 ZINC000038149748 563132180 /nfs/dbraw/zinc/13/21/80/563132180.db2.gz YTJWEQISZQKQQU-UHFFFAOYSA-N 0 0 489.000 5.148 1 0 JKAFRN O=c1c2sc(-c3cccc(Cl)c3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1 ZINC000038149749 563132231 /nfs/dbraw/zinc/13/22/31/563132231.db2.gz ZKTZNQNPWORXFR-UHFFFAOYSA-N 0 0 489.000 5.148 1 0 JKAFRN O=C([O-])[C@H]1CCC[N@H+](CCO[C@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000038153735 563132565 /nfs/dbraw/zinc/13/25/65/563132565.db2.gz IECCVNACZVCBPJ-OXJNMPFZSA-N 0 0 476.322 5.915 1 0 JKAFRN FC(F)(F)c1cc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2cc1Br ZINC000038157654 563132860 /nfs/dbraw/zinc/13/28/60/563132860.db2.gz RBOPCJUWLWVANT-UHFFFAOYSA-N 0 0 494.237 5.085 1 0 JKAFRN O=C(NC(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2cccc(Cl)c2)CC1 ZINC000038211814 563133260 /nfs/dbraw/zinc/13/32/60/563133260.db2.gz MTACWCHMAADIEZ-SSEXGKCCSA-N 0 0 496.054 6.546 1 0 JKAFRN CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000038227752 563133362 /nfs/dbraw/zinc/13/33/62/563133362.db2.gz UEXACWCPSKCHSH-UHFFFAOYSA-N 0 0 483.852 6.254 1 0 JKAFRN CCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000038240364 563133510 /nfs/dbraw/zinc/13/35/10/563133510.db2.gz FLXXYAPFRVVUIF-LOJUFBAJSA-N 0 0 451.629 5.128 1 0 JKAFRN COc1cc(Nc2ncc3c(C)nc(-c4cccc(Oc5ccccc5)c4)n3n2)cc(OC)c1OC ZINC000038310618 563133788 /nfs/dbraw/zinc/13/37/88/563133788.db2.gz UYDANWBUSABCEA-UHFFFAOYSA-N 0 0 483.528 5.661 1 0 JKAFRN O=C(NC(=O)N(C(=O)OCc1ccccc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000038310534 563133811 /nfs/dbraw/zinc/13/38/11/563133811.db2.gz VPWUFVMKCQTUHE-UHFFFAOYSA-N 0 0 478.373 5.677 1 0 JKAFRN CC1=CC[C@H]2[C@@](C)(CC[C@H]3C(C)(C)[C@]4(O)CC[C@@]32CO4)[C@]12Cc1c(cc(-c3cccnc3)oc1=O)O2 ZINC000038348445 563133951 /nfs/dbraw/zinc/13/39/51/563133951.db2.gz VVYVYDOUCPUFSI-XHVWOXFNSA-N 0 0 489.612 5.283 1 0 JKAFRN CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000038338267 563133952 /nfs/dbraw/zinc/13/39/52/563133952.db2.gz CHIRWFQKAWHTEA-XTJKPUCJSA-N 0 0 488.756 10.317 1 0 JKAFRN Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(OC(C)C)ncc2[nH]1)C(F)(F)F ZINC000038360287 563133980 /nfs/dbraw/zinc/13/39/80/563133980.db2.gz PHUOGFXDMSBGIK-QHCPKHFHSA-N 0 0 452.492 6.001 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1cc(F)cc(F)c1)[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000038461074 563134643 /nfs/dbraw/zinc/13/46/43/563134643.db2.gz MRECCTXLXCELBU-OSPHWJPCSA-N 0 0 457.948 6.307 1 0 JKAFRN C[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000038658647 563135217 /nfs/dbraw/zinc/13/52/17/563135217.db2.gz VQOOAQMFUGGWKX-VGOFRKELSA-N 0 0 457.401 6.077 1 0 JKAFRN NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000038802965 563135564 /nfs/dbraw/zinc/13/55/64/563135564.db2.gz IOACOZTYILEJTD-UHFFFAOYSA-N 0 0 476.285 6.631 1 0 JKAFRN COc1cccc2c1Oc1cccc(c1)CCc1cc(OC)c(OC)c(c1)Oc1ccc(cc1)CC2 ZINC000038911956 563135787 /nfs/dbraw/zinc/13/57/87/563135787.db2.gz JNMUZWBJUZBJLP-UHFFFAOYSA-N 0 0 482.576 7.181 1 0 JKAFRN CC(=O)O[C@H]1CC=C(C)[C@@H]2CC3=C(C)C(=O)O[C@H]3/C=C(/C)CC[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000039183448 563136334 /nfs/dbraw/zinc/13/63/34/563136334.db2.gz BYTXNCPKVDXTRC-DIAZDVSWSA-N 0 0 478.585 5.488 1 0 JKAFRN O=C(N[C@H](c1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 ZINC000039166918 563136346 /nfs/dbraw/zinc/13/63/46/563136346.db2.gz YPYKNZPTAOGMPI-SANMLTNESA-N 0 0 489.464 6.668 1 0 JKAFRN CCCCOc1cc(Nc2cc(C)nc3ccc4[nH]cnc4c32)c(OCCCC)cc1Cl ZINC000039214872 563136498 /nfs/dbraw/zinc/13/64/98/563136498.db2.gz YWGOUKADVAVPHT-UHFFFAOYSA-N 0 0 452.986 7.174 1 0 JKAFRN CC(=O)c1ccc2c(c1)N(CCCN1CCC(C(=O)c3ccc(F)cc3)CC1)c1ccccc1S2 ZINC000039221710 563136504 /nfs/dbraw/zinc/13/65/04/563136504.db2.gz WGPBQPGEOAOGES-UHFFFAOYSA-N 0 0 488.628 6.616 1 0 JKAFRN COC(=O)[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000039242750 563136542 /nfs/dbraw/zinc/13/65/42/563136542.db2.gz LBODFLHETLATAA-QHCPKHFHSA-N 0 0 458.476 7.088 1 0 JKAFRN COC(=O)[C@@H](Oc1ccc(C2CCCCC2)cc1)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000039242758 563136556 /nfs/dbraw/zinc/13/65/56/563136556.db2.gz CPDWLKRMMSVJCC-LJAQVGFWSA-N 0 0 472.625 8.117 1 0 JKAFRN Cc1cccc(N(C)c2cc(Nc3ccc(CC(=O)Nc4ccc5ncsc5c4)cc3)ncn2)c1 ZINC000039300940 563136638 /nfs/dbraw/zinc/13/66/38/563136638.db2.gz YPDCQAUBWCODJY-UHFFFAOYSA-N 0 0 480.597 6.087 1 0 JKAFRN Fc1cccc(COc2ccc(Nc3ncnc4sc(-c5cccs5)cc43)cc2Cl)c1 ZINC000040379218 563137139 /nfs/dbraw/zinc/13/71/39/563137139.db2.gz PBIJKZCHYCDPPC-UHFFFAOYSA-N 0 0 467.978 7.535 1 0 JKAFRN CC1(C)C[C@]2(CN(Cc3ccc(C(F)(F)F)cc3)C(=O)CO2)c2cc(Br)ccc2O1 ZINC000040379702 563137293 /nfs/dbraw/zinc/13/72/93/563137293.db2.gz LORDNDOVJPPRKN-NRFANRHFSA-N 0 0 484.312 5.283 1 0 JKAFRN Clc1ccc(C[C@H]2CN=C(c3csc4ccccc34)N2C2CCC3(CC2)OCCO3)cc1 ZINC000040379706 563137302 /nfs/dbraw/zinc/13/73/02/563137302.db2.gz IPWWLIKPQJZREB-NRFANRHFSA-N 0 0 467.034 5.914 1 0 JKAFRN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000040379918 563137420 /nfs/dbraw/zinc/13/74/20/563137420.db2.gz CAMMICOMEPBDPD-MUUNZHRXSA-N 0 0 463.577 5.312 1 0 JKAFRN CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)[O-] ZINC000040380481 563137572 /nfs/dbraw/zinc/13/75/72/563137572.db2.gz GIANIUAUTNMTHQ-AHWVRZQESA-N 0 0 480.004 5.673 1 0 JKAFRN COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2oc1=O ZINC000040380404 563137639 /nfs/dbraw/zinc/13/76/39/563137639.db2.gz YQPJDDSMIOAJBS-UHFFFAOYSA-N 0 0 481.504 5.832 1 0 JKAFRN 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ZINC000040763246 563147955 /nfs/dbraw/zinc/14/79/55/563147955.db2.gz BSPCYDWVZNGIIL-FQEVSTJZSA-N 0 0 458.867 5.343 1 0 JKAFRN O=c1c2ccccc2c(Cc2ccc(Cl)c(Cl)c2)nn1-c1ccc(Br)cc1 ZINC000040763413 563148070 /nfs/dbraw/zinc/14/80/70/563148070.db2.gz PBGKPGIGZYMZPO-UHFFFAOYSA-N 0 0 460.158 6.046 1 0 JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)C[NH2+]CCCCCC(=O)[O-])[C@@]4(C)CC[C@@H]32)C1 ZINC000040764294 563148255 /nfs/dbraw/zinc/14/82/55/563148255.db2.gz HDZLUVGSFJQGOH-DNRXZPDESA-N 0 0 487.725 6.368 1 0 JKAFRN Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1-c1ccccc1 ZINC000040766998 563148447 /nfs/dbraw/zinc/14/84/47/563148447.db2.gz RQQYFEPKPOWOPO-UHFFFAOYSA-N 0 0 468.969 6.415 1 0 JKAFRN Cc1ccccc1NC(=O)N(c1ccc(N(C)C)cc1)c1ccnc(N[C@@H](C)c2ccccc2)n1 ZINC000040812370 563148706 /nfs/dbraw/zinc/14/87/06/563148706.db2.gz JEEUYOFAAMGLCC-NRFANRHFSA-N 0 0 466.589 6.394 1 0 JKAFRN CCCN1N=C2/C(=C/c3ccc(C(C)(C)C)cc3)CS(=O)(=O)C[C@H]2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000040818381 563148753 /nfs/dbraw/zinc/14/87/53/563148753.db2.gz OBLUBNPCKLHODP-ZUWQWBQKSA-N 0 0 492.729 6.533 1 0 JKAFRN CCC(C)(C)C(=O)N(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040834429 563148945 /nfs/dbraw/zinc/14/89/45/563148945.db2.gz PXMZXXNANMOLAF-UHFFFAOYSA-N 0 0 492.834 6.843 1 0 JKAFRN CCCCCOC(=O)COc1ccc2c(=O)cc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc2c1 ZINC000040836042 563149006 /nfs/dbraw/zinc/14/90/06/563149006.db2.gz BIAHZNCJTQEBCI-UHFFFAOYSA-N 0 0 494.628 6.873 1 0 JKAFRN Cn1cc(-c2ccn3c2ncc(-c2ccc(NC(=O)Nc4cccc(Cl)c4)cc2)c3N)cn1 ZINC000040836462 563149011 /nfs/dbraw/zinc/14/90/11/563149011.db2.gz AXMYMBSUHVYPRA-UHFFFAOYSA-N 0 0 457.925 5.281 1 0 JKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OCC(F)(F)F)cc1)n2CCC(C)C ZINC000040836235 563149019 /nfs/dbraw/zinc/14/90/19/563149019.db2.gz ICKZPCHRKFZOMO-UHFFFAOYSA-N 0 0 475.555 6.096 1 0 JKAFRN COc1cc2cccnc2c(N[C@H](C)CCCNC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000040836699 563149077 /nfs/dbraw/zinc/14/90/77/563149077.db2.gz YNJYOHCJLFYLIK-OAQYLSRUSA-N 0 0 468.601 5.913 1 0 JKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC(F)(F)F)cc1)n2CCC(C)C ZINC000040845092 563149115 /nfs/dbraw/zinc/14/91/15/563149115.db2.gz KXGVTPXLSYNNLX-UHFFFAOYSA-N 0 0 461.528 6.054 1 0 JKAFRN CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(OC3CCCC3)cc1)n2CCC(C)C ZINC000040845592 563149170 /nfs/dbraw/zinc/14/91/70/563149170.db2.gz NILJSCAJHVULQP-UHFFFAOYSA-N 0 0 461.650 6.477 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cocc(-c2ccc(F)cc2)c1=O ZINC000040845521 563149190 /nfs/dbraw/zinc/14/91/90/563149190.db2.gz DDPXAYNMHBTSTN-UHFFFAOYSA-N 0 0 459.408 5.506 1 0 JKAFRN CC(C)Cc1cc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)[O-] ZINC000040846007 563149199 /nfs/dbraw/zinc/14/91/99/563149199.db2.gz YUPOCJDDQSOMHF-SANMLTNESA-N 0 0 467.993 5.606 1 0 JKAFRN COc1cc2nc(N3CCC(Cc4ccccc4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040846155 563149274 /nfs/dbraw/zinc/14/92/74/563149274.db2.gz KVAADZRCCQKZJF-UHFFFAOYSA-N 0 0 474.649 6.241 1 0 JKAFRN Cc1cccc(C)c1/C=C/n1cnc2c1nc(N(C)C)nc2Nc1ccc(P(C)(C)=O)cc1 ZINC000040847472 563149432 /nfs/dbraw/zinc/14/94/32/563149432.db2.gz CDRJTNGWNAODES-CCEZHUSRSA-N 0 0 460.522 5.129 1 0 JKAFRN CC(C)C[C@H](NP(=O)(OC(C)C)OC(C)C)C(=O)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000040847622 563149433 /nfs/dbraw/zinc/14/94/33/563149433.db2.gz YYWXWXDKOWJJNU-SDQWYYNMSA-N 0 0 472.566 6.758 1 0 JKAFRN O=C(Nc1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000040848002 563149521 /nfs/dbraw/zinc/14/95/21/563149521.db2.gz SYZSHYVQKXQTTJ-UHFFFAOYSA-N 0 0 454.327 6.465 1 0 JKAFRN COC(=O)C[C@H]1[C@]2(C)CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]3(C)[C@H]2CC[C@]1(C)C(C)=O ZINC000040848375 563149617 /nfs/dbraw/zinc/14/96/17/563149617.db2.gz KYCSVRIOLQNHQA-MZRSIZMESA-N 0 0 458.727 7.610 1 0 JKAFRN O=C(NN1C[C@@H]2CCC[C@@H]2C1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000040848571 563149708 /nfs/dbraw/zinc/14/97/08/563149708.db2.gz NHLZNTYRPUFRMB-IYBDPMFKSA-N 0 0 475.807 5.876 1 0 JKAFRN O=C(Nc1ccc(Oc2ccnc3[nH]ccc32)c(F)c1)c1cn(C2CC2)cc(-c2ccc(F)cc2)c1=O ZINC000040860300 563149862 /nfs/dbraw/zinc/14/98/62/563149862.db2.gz VQDHMEATZYVHPQ-UHFFFAOYSA-N 0 0 498.489 6.049 1 0 JKAFRN C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)CO ZINC000040860435 563149942 /nfs/dbraw/zinc/14/99/42/563149942.db2.gz SDAWCNCFVWQZDP-GOUGDUPLSA-N 0 0 454.695 6.839 1 0 in-vitro JKAFRN Fc1cc(F)c(-c2c(Cl)nc(-c3cc4ccccc4cn3)nc2NCC(F)(F)F)c(F)c1 ZINC000040861022 563150095 /nfs/dbraw/zinc/15/00/95/563150095.db2.gz GNJIOXWXWUUCQZ-UHFFFAOYSA-N 0 0 468.788 6.404 1 0 JKAFRN C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040861094 563150104 /nfs/dbraw/zinc/15/01/04/563150104.db2.gz IQFOVKTXQPEMEW-NDEPHWFRSA-N 0 0 460.581 6.292 1 0 JKAFRN CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4n3C)c3ccccc23)n1 ZINC000040861972 563150233 /nfs/dbraw/zinc/15/02/33/563150233.db2.gz FGQULRNTICLCRF-UHFFFAOYSA-N 0 0 473.540 6.156 1 0 JKAFRN C[C@@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)[C@@H]1CC[C@H](C)[C@@H](O)O1 ZINC000040861872 563150264 /nfs/dbraw/zinc/15/02/64/563150264.db2.gz DRTROQLYCJSMQX-GSULAHQPSA-N 0 0 458.727 6.866 1 0 JKAFRN Fc1cc(F)c(-c2c(Cl)nc(-c3nccc4ccccc43)nc2NCC(F)(F)F)c(F)c1 ZINC000040862544 563150316 /nfs/dbraw/zinc/15/03/16/563150316.db2.gz QBYHZMDVKBPHAA-UHFFFAOYSA-N 0 0 468.788 6.404 1 0 JKAFRN CCCCCc1cc2c(c(O)c1C(=O)O[C@@H]1C(C)(C)[C@@H]3CC[C@@]1(C)C3)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 ZINC000040862588 563150447 /nfs/dbraw/zinc/15/04/47/563150447.db2.gz MQJYRDGWGIZCIV-GRQZRGDYSA-N 0 0 494.716 8.107 1 0 JKAFRN O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1nnc(-c2ccc(Cl)cc2)s1 ZINC000040863818 563150641 /nfs/dbraw/zinc/15/06/41/563150641.db2.gz IQDJEQRGSIJJOQ-VGOFMYFVSA-N 0 0 477.376 6.381 1 0 JKAFRN CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040863722 563150673 /nfs/dbraw/zinc/15/06/73/563150673.db2.gz ORXHKXASVGJXOO-LJQANCHMSA-N 0 0 459.015 6.416 1 0 JKAFRN CCCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040864143 563150786 /nfs/dbraw/zinc/15/07/86/563150786.db2.gz IJWSSKLUEFXCQE-AWEZNQCLSA-N 0 0 489.834 8.152 1 0 JKAFRN CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@H]12)[C@H](COC(=O)c1cccnc1)[C@H]4O ZINC000040865413 563150917 /nfs/dbraw/zinc/15/09/17/563150917.db2.gz ZNMKDGNJIODCPP-GKGCAFNRSA-N 0 0 483.649 5.192 1 0 JKAFRN CCCC[C@H](Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(=O)OCC ZINC000040865363 563150975 /nfs/dbraw/zinc/15/09/75/563150975.db2.gz AFPQXHOGCQYPOF-DEOSSOPVSA-N 0 0 494.657 5.934 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1 ZINC000040865601 563150979 /nfs/dbraw/zinc/15/09/79/563150979.db2.gz VYLIQGBQDOPRSY-UHFFFAOYSA-N 0 0 499.785 7.400 1 0 JKAFRN CC(C)=CCC[C@@H](C(C)=O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000040866686 563151205 /nfs/dbraw/zinc/15/12/05/563151205.db2.gz WHXWXHWHTQFRIM-FAGCWEOESA-N 0 0 468.722 7.083 1 0 JKAFRN CCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000040873386 563151706 /nfs/dbraw/zinc/15/17/06/563151706.db2.gz HMGXPGMZAJUVKU-QHCPKHFHSA-N 0 0 463.453 6.688 1 0 JKAFRN Cc1ccc(NC(=O)Nc2ccc3ncnc(Nc4cccc(C(F)(F)F)c4)c3c2)cc1Cl ZINC000040873297 563151715 /nfs/dbraw/zinc/15/17/15/563151715.db2.gz MTKRHDZAPSNNAW-UHFFFAOYSA-N 0 0 471.870 6.998 1 0 JKAFRN CCCCCC[C@@H](Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040873916 563151883 /nfs/dbraw/zinc/15/18/83/563151883.db2.gz BFCFGUPNXICZMR-HXUWFJFHSA-N 0 0 473.042 6.285 1 0 JKAFRN CCCCCC[C@H](Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC ZINC000040873914 563151893 /nfs/dbraw/zinc/15/18/93/563151893.db2.gz BFCFGUPNXICZMR-FQEVSTJZSA-N 0 0 473.042 6.285 1 0 JKAFRN CCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040874852 563152104 /nfs/dbraw/zinc/15/21/04/563152104.db2.gz FJFBAEKFHBDIAX-ZDUSSCGKSA-N 0 0 491.875 8.230 1 0 JKAFRN CC[C@H](C)c1c(=O)[nH]c(SCC(=O)c2ccc(F)cc2)nc1Cc1c(F)cccc1Cl ZINC000040875068 563152114 /nfs/dbraw/zinc/15/21/14/563152114.db2.gz PREAJADVDJDUNM-ZDUSSCGKSA-N 0 0 462.949 5.781 1 0 JKAFRN Cc1cc(NC(=O)c2ccccc2)c2cc(NC(=O)Nc3cc(Cl)cc(Cl)c3)ccc2n1 ZINC000040875454 563152234 /nfs/dbraw/zinc/15/22/34/563152234.db2.gz VTFBGKCCERTJRA-UHFFFAOYSA-N 0 0 465.340 6.746 1 0 JKAFRN Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)cc3)sc2c1 ZINC000040875483 563152283 /nfs/dbraw/zinc/15/22/83/563152283.db2.gz CLNVCKFTJPHZLZ-UHFFFAOYSA-N 0 0 491.638 5.311 1 0 JKAFRN FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4C(F)(F)F)nc32)cc1 ZINC000040875969 563152324 /nfs/dbraw/zinc/15/23/24/563152324.db2.gz XQHGCQQMUHLUAG-UHFFFAOYSA-N 0 0 455.387 6.611 1 0 JKAFRN CCc1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(NC(=O)CCc4ccccc4)cc32)cc1 ZINC000040876181 563152347 /nfs/dbraw/zinc/15/23/47/563152347.db2.gz WUQDLGWMBOEDCD-SANMLTNESA-N 0 0 462.615 5.176 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 ZINC000040877746 563152580 /nfs/dbraw/zinc/15/25/80/563152580.db2.gz WZCHPURDBDZDLI-UHFFFAOYSA-N 0 0 479.367 7.055 1 0 JKAFRN O=C(NCCCNc1ccnc2cc(Cl)ccc21)c1ccc(F)cc1NCc1ccccc1 ZINC000040877723 563152595 /nfs/dbraw/zinc/15/25/95/563152595.db2.gz ISTJYUKUMOWYQC-UHFFFAOYSA-N 0 0 462.956 5.871 1 0 JKAFRN Cc1c(C(=O)NN2C[C@@H]3CCC[C@@H]3C2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)s1 ZINC000040879093 563152782 /nfs/dbraw/zinc/15/27/82/563152782.db2.gz FQCPRCTUZIOXEU-OKILXGFUSA-N 0 0 495.863 6.246 1 0 JKAFRN COc1ccc(Cn2c(=O)c3ccc(C)cc3c(Br)c2-c2ccccc2O)cc1 ZINC000040880716 563152929 /nfs/dbraw/zinc/15/29/29/563152929.db2.gz WUMKUVOKUHXFSG-UHFFFAOYSA-N 0 0 450.332 5.502 1 0 JKAFRN C[C@H](CN(C(=O)c1csc2ccccc12)C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 ZINC000040891698 563153095 /nfs/dbraw/zinc/15/30/95/563153095.db2.gz FPSHHIPLSDPHHZ-GOSISDBHSA-N 0 0 470.034 6.486 1 0 JKAFRN Cc1ccc(Nc2nnc(CSc3nnc(-c4ccncc4)n3-c3ccccc3)s2)cc1 ZINC000040892056 563153289 /nfs/dbraw/zinc/15/32/89/563153289.db2.gz IPXMPFFRYHEMDK-UHFFFAOYSA-N 0 0 457.588 5.525 1 0 JKAFRN CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@H]3C(=CC[C@]21C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O ZINC000040893543 563153515 /nfs/dbraw/zinc/15/35/15/563153515.db2.gz BNCWPGHWXAEYNK-MEKJSECDSA-N 0 0 472.710 5.147 1 0 in-vitro JKAFRN Cc1ccc(-c2nnc(-n3c(/C=C/c4cccc(Cl)c4)nc4ccccc4c3=O)s2)cc1 ZINC000040893420 563153530 /nfs/dbraw/zinc/15/35/30/563153530.db2.gz ZKTICDBGGOVWLG-SDNWHVSQSA-N 0 0 456.958 6.036 1 0 JKAFRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3cccc4ccccc43)CC2)c(C)c1 ZINC000040894220 563153588 /nfs/dbraw/zinc/15/35/88/563153588.db2.gz PZIOHPWMXAUPRV-OAQYLSRUSA-N 0 0 464.631 5.043 1 0 JKAFRN Fc1ccc(N2N=C(c3ccc(Cl)cc3)[C@H](n3ccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000040894814 563153692 /nfs/dbraw/zinc/15/36/92/563153692.db2.gz BMHSAJJFJIJHML-RPWUZVMVSA-N 0 0 451.332 6.536 1 0 JKAFRN Cc1ccccc1NC(=C[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)C1 ZINC000040895385 563153765 /nfs/dbraw/zinc/15/37/65/563153765.db2.gz MQRFQLUMZYQACM-GFDSCVEPSA-N 0 0 491.979 5.727 1 0 JKAFRN COc1ccc(/C=C2\C[C@](CO)(COC(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)OC2=O)cc1 ZINC000040895899 563153949 /nfs/dbraw/zinc/15/39/49/563153949.db2.gz GYKDPGRXKGXJRX-QVWDXGFNSA-N 0 0 494.628 5.984 1 0 JKAFRN C[P@](=O)(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)OCc1cccnc1 ZINC000040896712 563154002 /nfs/dbraw/zinc/15/40/02/563154002.db2.gz YUGYFUOJZVHTHY-JGCGQSQUSA-N 0 0 477.526 6.269 1 0 JKAFRN COc1ccc(N(C(=O)c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1 ZINC000040896820 563154015 /nfs/dbraw/zinc/15/40/15/563154015.db2.gz KUUCRERQLRLCSS-SANMLTNESA-N 0 0 476.548 5.290 1 0 JKAFRN COc1ccccc1[C@H]1[C@@H](C)C(=O)[C@@H](C)[C@@H](c2ccccc2OC)N1C(=O)Cn1cnc2ccccc21 ZINC000040898770 563154342 /nfs/dbraw/zinc/15/43/42/563154342.db2.gz LCNVZXMJDOGQHW-BWBYRYSHSA-N 0 0 497.595 5.220 1 0 JKAFRN CCOC(=O)C1C(Nc2ccccc2)=C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000040899014 563154443 /nfs/dbraw/zinc/15/44/43/563154443.db2.gz VIHQGHFBJQEGJJ-IGYGKHONSA-N 0 0 474.604 7.309 1 0 JKAFRN O=C(c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000040914092 563155143 /nfs/dbraw/zinc/15/51/43/563155143.db2.gz CBKPIAWGRIOYGJ-UHFFFAOYSA-N 0 0 465.475 6.148 1 0 JKAFRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)c4ccccc34)CC2)c(C)c1 ZINC000040914366 563155227 /nfs/dbraw/zinc/15/52/27/563155227.db2.gz MFGCOQVXZXREHB-UHFFFAOYSA-N 0 0 471.022 5.458 1 0 JKAFRN COc1ccc2cc1Oc1ccc(cc1)CCc1cc(O)ccc1-c1ccc(cc1OC)CC2 ZINC000040915434 563155437 /nfs/dbraw/zinc/15/54/37/563155437.db2.gz VGCKEZBMGMNIEG-UHFFFAOYSA-N 0 0 452.550 6.753 1 0 JKAFRN CCOC(=O)C1=NO[C@H](c2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)C1 ZINC000040916696 563155696 /nfs/dbraw/zinc/15/56/96/563155696.db2.gz ZLFQHUCKTGOUQV-QFIPXVFZSA-N 0 0 478.467 5.014 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2c(ccc(OC(C)=O)c2OC(C)=O)O1 ZINC000040917248 563155777 /nfs/dbraw/zinc/15/57/77/563155777.db2.gz RAYIDJIDGBPJDH-YYSBBWFFSA-N 0 0 480.645 7.901 1 0 JKAFRN Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1 ZINC000040918026 563156023 /nfs/dbraw/zinc/15/60/23/563156023.db2.gz CZXAZXLPPWLLGJ-UHFFFAOYSA-N 0 0 454.574 5.049 1 0 JKAFRN Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc2c(c1)C(CC[NH+](C)C)=CC2(C)C ZINC000040918299 563156182 /nfs/dbraw/zinc/15/61/82/563156182.db2.gz SUUKFXYZRUESTA-UHFFFAOYSA-N 0 0 475.079 6.290 1 0 JKAFRN COc1ccc([C@H]2[C@H](C)C(=O)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2C(=O)Cn2cnc3ccccc32)cc1 ZINC000040918858 563156494 /nfs/dbraw/zinc/15/64/94/563156494.db2.gz CXTJWICMIXVYAB-REKZJURSSA-N 0 0 497.595 5.220 1 0 JKAFRN Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(/C=C/C(=O)N2CCCCC2)cc1 ZINC000040919073 563156531 /nfs/dbraw/zinc/15/65/31/563156531.db2.gz IYDVZRCBSUKEDF-CNHKJKLMSA-N 0 0 479.580 5.952 1 0 JKAFRN O=C(CCc1ccccc1)C[C@@H](/C=C/c1ccccc1)c1c(O)cc(/C=C/c2ccccc2)oc1=O ZINC000040933014 563156619 /nfs/dbraw/zinc/15/66/19/563156619.db2.gz GYEGNEMGVNMHRG-AYLXNMLLSA-N 0 0 476.572 6.905 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(OC)ccc1-c1ccccc1 ZINC000040933654 563156922 /nfs/dbraw/zinc/15/69/22/563156922.db2.gz NNLBMSQVKKQKCE-MHZLTWQESA-N 0 0 492.663 8.047 1 0 JKAFRN C[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000040933639 563156940 /nfs/dbraw/zinc/15/69/40/563156940.db2.gz SZLOJPBRQXHOLB-VWLOTQADSA-N 0 0 487.600 5.102 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2Nc1cc(-c2ccccc2)ccc1C ZINC000040934078 563157155 /nfs/dbraw/zinc/15/71/55/563157155.db2.gz JXDQPXYLQYYEJS-HHHXNRCGSA-N 0 0 476.664 8.347 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1ccccc1C(F)(F)F ZINC000040934031 563157167 /nfs/dbraw/zinc/15/71/67/563157167.db2.gz AESSRSHXFGCUGF-NRFANRHFSA-N 0 0 454.536 7.390 1 0 JKAFRN O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1 ZINC000040934106 563157232 /nfs/dbraw/zinc/15/72/32/563157232.db2.gz UGEPDKKVEJHVMJ-HSZRJFAPSA-N 0 0 455.514 5.519 1 0 JKAFRN CCOC(=O)c1cn(CC)c2c(cc(F)c(OCc3ccccc3)c2OCc2ccccc2)c1=O ZINC000040934126 563157245 /nfs/dbraw/zinc/15/72/45/563157245.db2.gz WZGCTZGVFRAKHX-UHFFFAOYSA-N 0 0 475.516 5.495 1 0 JKAFRN CCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1 ZINC000040934303 563157346 /nfs/dbraw/zinc/15/73/46/563157346.db2.gz QMQHXZJGAUXZOX-CYBMUJFWSA-N 0 0 475.807 7.762 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2Nc1cc(C(F)(F)F)ccc1CO ZINC000040934618 563157427 /nfs/dbraw/zinc/15/74/27/563157427.db2.gz QAVMYAXPFYKWRF-NRFANRHFSA-N 0 0 484.562 6.883 1 0 JKAFRN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1 ZINC000040934722 563157525 /nfs/dbraw/zinc/15/75/25/563157525.db2.gz MERNBUIIDBIGFK-DEOSSOPVSA-N 0 0 483.568 6.299 1 0 JKAFRN NC(=O)c1sc(-n2cnc3ccc(C(F)(F)F)cc32)cc1OCc1ccccc1Br ZINC000040934898 563157639 /nfs/dbraw/zinc/15/76/39/563157639.db2.gz LOKKVFGDJAVMLU-UHFFFAOYSA-N 0 0 496.308 5.546 1 0 in-vitro JKAFRN Cc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040935181 563157640 /nfs/dbraw/zinc/15/76/40/563157640.db2.gz DHFZQRAOFUHNLV-UHFFFAOYSA-N 0 0 477.848 7.624 1 0 JKAFRN C[C@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]12c1ccccc1N(C)C2=O ZINC000040935321 563157745 /nfs/dbraw/zinc/15/77/45/563157745.db2.gz PDPHSUSXXMUFJQ-UVDDSOTQSA-N 0 0 458.561 5.448 1 0 JKAFRN C[C@H](c1ccccc1)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@]12c1ccccc1N(C)C2=O ZINC000040935325 563157757 /nfs/dbraw/zinc/15/77/57/563157757.db2.gz PDPHSUSXXMUFJQ-JPZYQRIQSA-N 0 0 458.561 5.448 1 0 JKAFRN Cc1cc(NC(=O)c2cccc(CN3CCOCC3)c2)nn1Cc1cc(Cl)ccc1OCC(C)C ZINC000040936174 563157901 /nfs/dbraw/zinc/15/79/01/563157901.db2.gz HNADQMJAIIRCEW-UHFFFAOYSA-N 0 0 497.039 5.013 1 0 JKAFRN O=C(Cn1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2Cl)n1)N1CCCCC1 ZINC000040936405 563158074 /nfs/dbraw/zinc/15/80/74/563158074.db2.gz XTLDZHVEQHHQBL-UHFFFAOYSA-N 0 0 484.214 6.238 1 0 JKAFRN CCc1cccc(CC)c1-c1cc(OC(C)C)c2c(n1)CCC[C@@H]2Nc1ccccc1CCO ZINC000040936550 563158076 /nfs/dbraw/zinc/15/80/76/563158076.db2.gz OTZFBBYPIRPLBY-VWLOTQADSA-N 0 0 458.646 6.685 1 0 JKAFRN CC(C)c1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(Cl)ccc54)cc3)nc(N)n2)cc1 ZINC000040937403 563158176 /nfs/dbraw/zinc/15/81/76/563158176.db2.gz IPLHSDBXONHZOQ-UHFFFAOYSA-N 0 0 465.988 7.461 1 0 JKAFRN COc1cc2nccc(Oc3ccc(C)cc3C(=O)c3ccc(C(C)(C)C)cc3)c2cc1OC ZINC000040937063 563158236 /nfs/dbraw/zinc/15/82/36/563158236.db2.gz FXHOCNUSVJQVHA-UHFFFAOYSA-N 0 0 455.554 6.881 1 0 JKAFRN CC(C)OC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040937460 563158346 /nfs/dbraw/zinc/15/83/46/563158346.db2.gz WPCSQWOAEHRTGB-QLWXXVCSSA-N 0 0 474.604 6.537 1 0 JKAFRN Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)cc3)c21 ZINC000040939090 563158600 /nfs/dbraw/zinc/15/86/00/563158600.db2.gz YOBKRSJXFGBLCQ-UHFFFAOYSA-N 0 0 477.830 5.370 1 0 JKAFRN Cc1ccc(C2(c3ccc(C)cc3)C(=O)N([C@@H](C)c3ccccc3)[C@]23c2ccccc2N(C)C3=O)cc1 ZINC000040939484 563158690 /nfs/dbraw/zinc/15/86/90/563158690.db2.gz KLPLLAIWTCDWIR-RBBQXQBVSA-N 0 0 486.615 6.065 1 0 JKAFRN CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc21 ZINC000040939922 563158784 /nfs/dbraw/zinc/15/87/84/563158784.db2.gz XYRNHCLMMHULHS-UHFFFAOYSA-N 0 0 483.951 6.961 1 0 JKAFRN CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000040940109 563158879 /nfs/dbraw/zinc/15/88/79/563158879.db2.gz AVGGRABRPLEVRD-QLWXXVCSSA-N 0 0 474.604 6.457 1 0 JKAFRN Cc1nc(Nc2ccc(Cl)cc2)sc1-c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000040940099 563158881 /nfs/dbraw/zinc/15/88/81/563158881.db2.gz JTWNFXOZYFFYDW-UHFFFAOYSA-N 0 0 479.392 6.868 1 0 JKAFRN O=C(CSc1snnc1-c1ccc(Cl)cc1Cl)Nc1ccccc1Br ZINC000040940533 563158966 /nfs/dbraw/zinc/15/89/66/563158966.db2.gz ILPKSMBCMUDKMM-UHFFFAOYSA-N 0 0 475.220 6.005 1 0 JKAFRN COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000040943235 563159047 /nfs/dbraw/zinc/15/90/47/563159047.db2.gz MZXCHJABTVFYKX-GRKNLSHJSA-N 0 0 460.577 5.845 1 0 JKAFRN O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1ccccc1)C(F)(F)F ZINC000040943145 563159073 /nfs/dbraw/zinc/15/90/73/563159073.db2.gz OHDAOMGGNBVRNT-GGAORHGYSA-N 0 0 481.436 6.669 1 0 JKAFRN Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@@H](c3ccccc3)C2)c1 ZINC000040950266 563159380 /nfs/dbraw/zinc/15/93/80/563159380.db2.gz VBKBLYBCYNJNSW-OAQYLSRUSA-N 0 0 486.398 6.358 1 0 JKAFRN CCO[C@@H](Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(C(F)(F)F)cc3)CC2)cc1)C(=O)[O-] ZINC000040950274 563159384 /nfs/dbraw/zinc/15/93/84/563159384.db2.gz OBLLJVOXHWIASZ-DEOSSOPVSA-N 0 0 477.523 5.296 1 0 JKAFRN CCO[C@@H](Cc1ccc(OCCC[N@H+]2CC=C(c3ccc(Cl)c(Cl)c3)CC2)cc1)C(=O)[O-] ZINC000040950278 563159403 /nfs/dbraw/zinc/15/94/03/563159403.db2.gz ZBJYTLVBCAOWHI-DEOSSOPVSA-N 0 0 478.416 5.584 1 0 JKAFRN CCOC(=O)c1nc(COc2cc(C(F)(F)F)nc3c2cccc3C(F)(F)F)cs1 ZINC000040950847 563159465 /nfs/dbraw/zinc/15/94/65/563159465.db2.gz LOWBCUUQKTWUOR-UHFFFAOYSA-N 0 0 450.360 5.485 1 0 JKAFRN CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CCC)cc3)C[C@@]21C ZINC000040950647 563159491 /nfs/dbraw/zinc/15/94/91/563159491.db2.gz UVOYTZLUSNLFCD-PABOLRIOSA-N 0 0 457.658 6.187 1 0 JKAFRN CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000040952010 563159722 /nfs/dbraw/zinc/15/97/22/563159722.db2.gz BVJDDPRBYGBPKD-TVZSAIOCSA-N 0 0 456.711 6.764 1 0 JKAFRN CC(C)Cc1ccc([C@@H](C)c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000040952474 563160002 /nfs/dbraw/zinc/16/00/02/563160002.db2.gz AXRNFUIHTUMKIS-CQSZACIVSA-N 0 0 461.418 6.422 1 0 JKAFRN CC(=O)Nc1cccc2c(Oc3ccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)ccnc12 ZINC000040953720 563160332 /nfs/dbraw/zinc/16/03/32/563160332.db2.gz FZUMVTINDMVIAT-UHFFFAOYSA-N 0 0 499.876 6.910 1 0 JKAFRN COC(=O)c1ccc(NCc2cncn2Cc2ccccc2C(C)(C)C)cc1-c1ccccc1 ZINC000040953716 563160383 /nfs/dbraw/zinc/16/03/83/563160383.db2.gz KBMIRCWKAKEMGA-UHFFFAOYSA-N 0 0 453.586 6.295 1 0 JKAFRN CSc1cc(Oc2ccnc3[nH]c(=O)[nH]c32)ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000040954043 563160476 /nfs/dbraw/zinc/16/04/76/563160476.db2.gz FDDWGCNOHJMCBF-UHFFFAOYSA-N 0 0 493.442 5.567 1 0 JKAFRN CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(C(C)(C)C)c1 ZINC000040954517 563160531 /nfs/dbraw/zinc/16/05/31/563160531.db2.gz HNFQHPNMHYZAID-UHFFFAOYSA-N 0 0 462.631 5.041 1 0 JKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1cccc(Cl)c1 ZINC000040955095 563160584 /nfs/dbraw/zinc/16/05/84/563160584.db2.gz QCLCFVHGTZBYAS-UHFFFAOYSA-N 0 0 469.371 5.430 1 0 JKAFRN c1ncn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc(N2CCCC2)c(-c2ccccc2)c1 ZINC000040955015 563160595 /nfs/dbraw/zinc/16/05/95/563160595.db2.gz OOHSBPMGWVDLQJ-UHFFFAOYSA-N 0 0 484.647 7.478 1 0 JKAFRN COc1cc2nccc(CN3CCc4c(cccc4C(=O)Nc4ccc(Cl)cc4)C3)c2cc1OC ZINC000040954769 563160624 /nfs/dbraw/zinc/16/06/24/563160624.db2.gz XWNQESXAJNOPLY-UHFFFAOYSA-N 0 0 487.987 5.716 1 0 JKAFRN CCc1cc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)n(C)n1 ZINC000040954944 563160645 /nfs/dbraw/zinc/16/06/45/563160645.db2.gz QIQFPEHDBGCHHZ-UHFFFAOYSA-N 0 0 456.638 5.146 1 0 JKAFRN CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1cccc(Cl)c1 ZINC000040955085 563160648 /nfs/dbraw/zinc/16/06/48/563160648.db2.gz STSAFDCDVTUBAY-UHFFFAOYSA-N 0 0 469.371 5.430 1 0 JKAFRN CSc1nc(-c2ccnc(N[C@H](Cc3ccccc3)c3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1 ZINC000040955132 563160737 /nfs/dbraw/zinc/16/07/37/563160737.db2.gz FFXPRRUGNJIYEZ-RUZDIDTESA-N 0 0 480.612 7.396 1 0 JKAFRN C(=C/c1cc(NCc2cccc3ccccc32)nc(NCc2cccc3ccccc32)n1)\c1ccccc1 ZINC000040955870 563160804 /nfs/dbraw/zinc/16/08/04/563160804.db2.gz UXXXWUSTQNLCTC-QZQOTICOSA-N 0 0 492.626 8.178 1 0 JKAFRN O=C(O[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1cc(CO)cc(C(=O)O[C@H]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000040956836 563161027 /nfs/dbraw/zinc/16/10/27/563161027.db2.gz YVGUBLNADARCND-HEHPHPBNSA-N 0 0 468.634 6.210 1 0 JKAFRN O=C(O[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cc(CO)cc(C(=O)O[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000040956825 563161035 /nfs/dbraw/zinc/16/10/35/563161035.db2.gz FNUHIDLQWNAHCK-MFWIUBMPSA-N 0 0 468.634 6.210 1 0 JKAFRN CCn1nc(CN2CCN(c3cccc4[nH]c(-c5ccc(C(C)(C)C)cc5)nc43)CC2)cc1C ZINC000040972472 563161266 /nfs/dbraw/zinc/16/12/66/563161266.db2.gz QGXZIDOHOHDIIV-UHFFFAOYSA-N 0 0 456.638 5.374 1 0 JKAFRN COc1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)[O-] ZINC000040974159 563161660 /nfs/dbraw/zinc/16/16/60/563161660.db2.gz OFUHXMUPWBDUCT-RDPSFJRHSA-N 0 0 467.949 5.020 1 0 JKAFRN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(CCC(=O)c2c(O)cc(O)cc2O)ccc1O ZINC000040975260 563161830 /nfs/dbraw/zinc/16/18/30/563161830.db2.gz SJBBGMVJNAOUOI-VLURGLOZSA-N 0 0 478.629 7.286 1 0 in-vitro JKAFRN Clc1ccc([C@@H](Nc2ccnc3cc(Cl)ccc32)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000040976161 563162035 /nfs/dbraw/zinc/16/20/35/563162035.db2.gz ZWXLCYWHYPEZAU-MHZLTWQESA-N 0 0 478.423 6.575 1 0 JKAFRN CCCCC1(CCCC)OC(c2ccc3c(c2)OCO3)=NN1C(=O)NC(=O)c1ccccc1Cl ZINC000040975972 563162062 /nfs/dbraw/zinc/16/20/62/563162062.db2.gz OETVMAFJBUMTCT-UHFFFAOYSA-N 0 0 485.968 5.689 1 0 JKAFRN Clc1ccc([C@H](Nc2ccnc3cc(Cl)ccc32)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000040976163 563162071 /nfs/dbraw/zinc/16/20/71/563162071.db2.gz ZWXLCYWHYPEZAU-HHHXNRCGSA-N 0 0 478.423 6.575 1 0 JKAFRN CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)O1 ZINC000040980659 563162526 /nfs/dbraw/zinc/16/25/26/563162526.db2.gz ZHXDKTNHRFMRHI-KGSBYCFNSA-N 0 0 496.444 5.545 1 0 JKAFRN O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 ZINC000042876020 563163030 /nfs/dbraw/zinc/16/30/30/563163030.db2.gz WHYGWEJJAHPBQA-SANMLTNESA-N 0 0 460.574 5.024 1 0 JKAFRN O=C1NC(=O)c2c1c1c(cc2-c2ccccc2Cl)[nH]c2cc(CCCCn3cccc3)c(O)cc21 ZINC000042878032 563163131 /nfs/dbraw/zinc/16/31/31/563163131.db2.gz DPYYKBUHQMGFOI-UHFFFAOYSA-N 0 0 483.955 6.055 1 0 JKAFRN C[C@@]12CC[C@H]([C@@]3(C)CCCC(C)(C)O3)[C@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C(=O)C[C@]12C ZINC000042878536 563163208 /nfs/dbraw/zinc/16/32/08/563163208.db2.gz YCTOKVWDUCMPQH-IHEBSQTDSA-N 0 0 472.710 6.128 1 0 JKAFRN O=C1O[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(c2ccc(O)cc2)C1=O ZINC000042879096 563163287 /nfs/dbraw/zinc/16/32/87/563163287.db2.gz IZHWKWVIPQQUPL-LJAQVGFWSA-N 0 0 480.516 6.117 1 0 JKAFRN Cc1c(-c2nnc(C3CCC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000042888285 563163400 /nfs/dbraw/zinc/16/34/00/563163400.db2.gz DUCSIYKICIYVNJ-UHFFFAOYSA-N 0 0 459.764 7.125 1 0 JKAFRN CCNC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@H]3C(=O)O[C@H](C)[C@H]3[C@H]2/C=C/c2ccc(-c3cccc(F)c3)cn2)C1 ZINC000042890303 563163475 /nfs/dbraw/zinc/16/34/75/563163475.db2.gz IQTIQAPIFLPGHQ-QHNZEKIYSA-N 0 0 491.607 5.203 1 0 JKAFRN CC(C)=C1CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]23C)CC(=O)[C@H](O)C5(C)C)[C@H](O)C1 ZINC000042890781 563163563 /nfs/dbraw/zinc/16/35/63/563163563.db2.gz XAZGKNABNCWOTE-LRFFKBFUSA-N 0 0 468.722 6.463 1 0 JKAFRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1cccc(I)c1 ZINC000042921652 563163633 /nfs/dbraw/zinc/16/36/33/563163633.db2.gz BAYNNRHMOQPXKX-HZJYTTRNSA-N 0 0 495.489 7.721 1 0 JKAFRN O=C(CCCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O)n1ccnc1 ZINC000042922959 563163727 /nfs/dbraw/zinc/16/37/27/563163727.db2.gz FOPCMKRPHIRJHT-UHFFFAOYSA-N 0 0 498.926 5.021 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(C2CCCC2)cc1 ZINC000043011361 563164112 /nfs/dbraw/zinc/16/41/12/563164112.db2.gz RZOIHPQOCXEIBW-UHFFFAOYSA-N 0 0 497.470 6.943 1 0 JKAFRN CC(C)(C)c1csc(/C=C/c2cccc(Cn3c4ccccc4c4c3CC[N@@H+](CCC(=O)[O-])C4)c2)n1 ZINC000043012414 563164176 /nfs/dbraw/zinc/16/41/76/563164176.db2.gz LIXLQTJCLAHKPU-VAWYXSNFSA-N 0 0 499.680 6.447 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCC3)c1 ZINC000043015632 563164550 /nfs/dbraw/zinc/16/45/50/563164550.db2.gz ZBIPNXHCIBNIDS-WXVAWEFUSA-N 0 0 486.660 5.528 1 0 JKAFRN Clc1ccc(C[C@H](CNc2cc(N3CCCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043017345 563164656 /nfs/dbraw/zinc/16/46/56/563164656.db2.gz LDDSIXGTEGQGRL-HXUWFJFHSA-N 0 0 485.857 6.321 1 0 JKAFRN C[C@H](Nc1cc(N2CCCCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043020910 563164930 /nfs/dbraw/zinc/16/49/30/563164930.db2.gz OLFDIWKKDJZSMO-FDDCHVKYSA-N 0 0 499.884 6.710 1 0 JKAFRN COc1ccc2c(c1)sc1c2c(I)c(-c2ccccc2F)oc1=O ZINC000043066653 563166059 /nfs/dbraw/zinc/16/60/59/563166059.db2.gz NDJIDVSDAFYBFY-UHFFFAOYSA-N 0 0 452.244 5.427 1 0 JKAFRN CCCN(C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)C1CCCCCC1 ZINC000043059321 563165568 /nfs/dbraw/zinc/16/55/68/563165568.db2.gz JQJJNQAWLYPCQI-UHFFFAOYSA-N 0 0 463.043 5.394 1 0 JKAFRN COc1cc2cccnc2c(N[C@@H](C)CCCN2C(=O)[C@@H](C(C)C)NC23CCCCCC3)c1 ZINC000043064768 563165996 /nfs/dbraw/zinc/16/59/96/563165996.db2.gz FBUZLZZNMWUSER-GBXCKJPGSA-N 0 0 452.643 5.331 1 0 JKAFRN O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1 ZINC000043067122 563166063 /nfs/dbraw/zinc/16/60/63/563166063.db2.gz AEUILRDAXLSTHQ-QUCCMNQESA-N 0 0 456.468 5.201 1 0 JKAFRN Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1/C=C/n1cnc2c1ncnc2NC1CC1 ZINC000043073914 563166503 /nfs/dbraw/zinc/16/65/03/563166503.db2.gz OGOBKCJNTZENRZ-MDZDMXLPSA-N 0 0 493.493 6.000 1 0 JKAFRN COc1ccc2c(c1)sc1c2c(I)c(-c2ccc(F)cc2)oc1=O ZINC000043074011 563166532 /nfs/dbraw/zinc/16/65/32/563166532.db2.gz HQYUUUIMEHDDRY-UHFFFAOYSA-N 0 0 452.244 5.427 1 0 JKAFRN CC(=O)c1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cn21 ZINC000043076767 563166694 /nfs/dbraw/zinc/16/66/94/563166694.db2.gz RBVXOCNPCFXAAY-UHFFFAOYSA-N 0 0 463.459 6.352 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(F)cc2Cl)c1-c1ccc(C2CC2)cc1 ZINC000043076193 563166706 /nfs/dbraw/zinc/16/67/06/563166706.db2.gz OMUSNWXGPSAWML-UHFFFAOYSA-N 0 0 452.961 5.648 1 0 JKAFRN CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(-c3ccccc3)c2C(=O)c2ccccc2)cc1 ZINC000043076232 563166710 /nfs/dbraw/zinc/16/67/10/563166710.db2.gz FXWOQFVYHTUYJG-UHFFFAOYSA-N 0 0 485.543 6.225 1 0 JKAFRN O=C(c1cc2ccccc2o1)N1CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1 ZINC000043079818 563167007 /nfs/dbraw/zinc/16/70/07/563167007.db2.gz YZHRYHBDHPSVDA-HSZRJFAPSA-N 0 0 458.945 5.182 1 0 JKAFRN O=C(c1cc2ccccc2o1)N1CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C1 ZINC000043079821 563167012 /nfs/dbraw/zinc/16/70/12/563167012.db2.gz YZHRYHBDHPSVDA-QHCPKHFHSA-N 0 0 458.945 5.182 1 0 JKAFRN CNC(=O)c1ccc2c(c1)nc(Nc1ccc(OC)cc1)n2Cc1ccccc1C(F)(F)F ZINC000043080780 563167112 /nfs/dbraw/zinc/16/71/12/563167112.db2.gz TXSSFFXDNUBDBE-UHFFFAOYSA-N 0 0 454.452 5.215 1 0 JKAFRN CCOC(=O)N1CCC[C@H]1c1cc2c(cc1Oc1ccc(F)cc1)nc(-c1cccnc1)n2C ZINC000043120250 563167392 /nfs/dbraw/zinc/16/73/92/563167392.db2.gz NGKBREIRXFBRAA-QFIPXVFZSA-N 0 0 460.509 5.860 1 0 JKAFRN Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2F)c1-c1ccc(C2CC2)cc1 ZINC000043120325 563167464 /nfs/dbraw/zinc/16/74/64/563167464.db2.gz CIQDOERMVATVHK-UHFFFAOYSA-N 0 0 452.961 5.648 1 0 JKAFRN CC(C)OC(=O)c1cccc(-c2cc3nccc(-c4ccc(OC(F)F)c(OCC5CC5)c4)n3n2)c1 ZINC000043177368 563168237 /nfs/dbraw/zinc/16/82/37/563168237.db2.gz ZWRXKWOSZMBGDE-UHFFFAOYSA-N 0 0 493.510 6.019 1 0 JKAFRN CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000043195858 563168322 /nfs/dbraw/zinc/16/83/22/563168322.db2.gz FDLMKWSBXUFRMN-DEOSSOPVSA-N 0 0 470.573 6.418 1 0 JKAFRN COc1cc(-c2cn(Cc3ccc(-c4nc5ccccc5o4)cc3)nn2)ccc1-n1cnc(C)c1 ZINC000043201901 563168560 /nfs/dbraw/zinc/16/85/60/563168560.db2.gz SUMCOGNZDPMGQX-UHFFFAOYSA-N 0 0 462.513 5.304 1 0 JKAFRN CCCN(c1c(OC)nn2c(-c3c(Cl)cc(COC)cc3OC)csc12)C1CCOCC1 ZINC000043208141 563168961 /nfs/dbraw/zinc/16/89/61/563168961.db2.gz ZOEBQJWEMYNPDT-UHFFFAOYSA-N 0 0 480.030 5.275 1 0 JKAFRN CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O ZINC000043422558 563169885 /nfs/dbraw/zinc/16/98/85/563169885.db2.gz CDDWAYFUFNQLRZ-VPXGNJILSA-N 0 0 474.726 5.083 3 0 in-vitro JKAFRN O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1CC1CC1 ZINC000043531744 563170305 /nfs/dbraw/zinc/17/03/05/563170305.db2.gz UDKFIEDZZRGJSR-JWXZHISWSA-N 0 0 488.624 5.302 1 0 JKAFRN CC(C)C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000043532068 563170313 /nfs/dbraw/zinc/17/03/13/563170313.db2.gz SXXPNPQQXIGAHY-SIMGMAISSA-N 0 0 490.640 5.548 1 0 JKAFRN CC(C)C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000043532107 563170318 /nfs/dbraw/zinc/17/03/18/563170318.db2.gz SXXPNPQQXIGAHY-JQWMYKLHSA-N 0 0 490.640 5.548 1 0 JKAFRN C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)[C@@H](O)[C@@H](O)[C@H](O)C4(C)C ZINC000043617294 563170724 /nfs/dbraw/zinc/17/07/24/563170724.db2.gz AAUDVCPRPMQVGQ-NLTJIPSISA-N 0 0 474.726 5.081 1 0 JKAFRN CC1(C)CC[C@@]23CC[C@]4(C)[C@@](O[C@@H]2O)([C@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@]14C ZINC000043780855 563171012 /nfs/dbraw/zinc/17/10/12/563171012.db2.gz YEWQVBPDLNDGPL-YWOIOKHOSA-N 0 0 474.726 5.671 1 0 JKAFRN COC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O ZINC000044086611 563171706 /nfs/dbraw/zinc/17/17/06/563171706.db2.gz MTDJIWUMGYOEEV-GWJNXYNGSA-N 0 0 470.738 7.178 1 0 JKAFRN 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C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000045261600 563183276 /nfs/dbraw/zinc/18/32/76/563183276.db2.gz PAKITLSAGWEJME-RBBKRZOGSA-N 0 0 491.599 5.713 1 0 JKAFRN C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CCCN(C(=O)Nc2cccc3ccccc32)C1 ZINC000045261320 563183278 /nfs/dbraw/zinc/18/32/78/563183278.db2.gz PAKITLSAGWEJME-UNMCSNQZSA-N 0 0 491.599 5.713 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCN2CCCCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000045261738 563183359 /nfs/dbraw/zinc/18/33/59/563183359.db2.gz MZYVJBKQTDDISU-UHFFFAOYSA-N 0 0 461.031 5.267 1 0 JKAFRN CC(C)=C/C=C/[C@@]1(C)CCc2c([C@@H]3CC(=O)c4c(O)c(CC=C(C)C)c(O)cc4O3)ccc(O)c2O1 ZINC000045283434 563183429 /nfs/dbraw/zinc/18/34/29/563183429.db2.gz FNYVZBJCIHYCGC-IPKCNSJSSA-N 0 0 490.596 6.625 1 0 JKAFRN COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccccc5)C4=O)cc3)c2cc1OC ZINC000045283817 563183451 /nfs/dbraw/zinc/18/34/51/563183451.db2.gz SDMAUROWEPHQER-UHFFFAOYSA-N 0 0 484.512 5.518 1 0 JKAFRN CCCCn1cc2c(n1)nc(NC(=O)C(c1ccccc1)c1ccccc1)n1nc(-c3ccco3)nc21 ZINC000045283749 563183456 /nfs/dbraw/zinc/18/34/56/563183456.db2.gz KTDPNBIMPLZPCK-UHFFFAOYSA-N 0 0 491.555 5.305 1 0 JKAFRN Cc1cccc(Nc2ncc(C)c(-c3c[nH]c(C(=O)N[C@H](CO)c4cccc(Cl)c4)c3)n2)c1C ZINC000045283983 563183521 /nfs/dbraw/zinc/18/35/21/563183521.db2.gz UKLODWPLBDVRPZ-HSZRJFAPSA-N 0 0 475.980 5.257 1 0 JKAFRN CC(C)(C)CCNc1c2cccc(C(F)(F)F)c2ncc1C1N=NC(=S)N1c1ccccc1 ZINC000045285425 563183801 /nfs/dbraw/zinc/18/38/01/563183801.db2.gz WVNGKEZRUIHXGY-UHFFFAOYSA-N 0 0 471.552 6.638 1 0 JKAFRN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(C(F)(F)F)cc3)c(-c3ccccc3)c2)S1 ZINC000045286056 563183954 /nfs/dbraw/zinc/18/39/54/563183954.db2.gz WRYBFDMNVXHTMO-BKUYFWCQSA-N 0 0 455.457 6.275 1 0 JKAFRN C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@@H]2c1cccs1 ZINC000045286169 563183976 /nfs/dbraw/zinc/18/39/76/563183976.db2.gz NIHUXOYPODONJS-ZKBMDCSPSA-N 0 0 494.660 6.800 1 0 JKAFRN CCCCNC(=O)NCc1ccc(CN2C(N)=N[C@@](CCC3CCCCC3)(CC(C)C)C2=O)cc1 ZINC000045285988 563183984 /nfs/dbraw/zinc/18/39/84/563183984.db2.gz CNTBNKNPMIFGMN-NDEPHWFRSA-N 0 0 483.701 5.298 1 0 JKAFRN CN(c1ccc(NC(=O)c2ccccc2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000045286332 563184036 /nfs/dbraw/zinc/18/40/36/563184036.db2.gz GZCQLNLEOMBBNR-UHFFFAOYSA-N 0 0 479.385 5.221 1 0 JKAFRN COc1ccc(CCc2cccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)c2)cc1 ZINC000045286694 563184059 /nfs/dbraw/zinc/18/40/59/563184059.db2.gz XXNGDPQKHJDHDN-UHFFFAOYSA-N 0 0 495.189 6.895 1 0 JKAFRN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2cccc(C(F)(F)F)c2)S1 ZINC000045286629 563184060 /nfs/dbraw/zinc/18/40/60/563184060.db2.gz UOQREKKXYMJNBE-NVNXTCNLSA-N 0 0 458.255 5.371 1 0 JKAFRN CC1=CCC[C@H]2[C@](C)(Cc3cc(O)cc(Sc4ccccc4CO)c3O)[C@@H](C)CC[C@]12C ZINC000045287922 563184272 /nfs/dbraw/zinc/18/42/72/563184272.db2.gz CUIJYOHCRGNTLI-GGQNTOLOSA-N 0 0 452.660 7.083 1 0 JKAFRN CN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000045288622 563184473 /nfs/dbraw/zinc/18/44/73/563184473.db2.gz NNQCUZVLLYXZEC-UHFFFAOYSA-N 0 0 485.433 5.487 1 0 JKAFRN Cc1c(C(=O)NCCc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1cccc1 ZINC000045288989 563184576 /nfs/dbraw/zinc/18/45/76/563184576.db2.gz SARFNBYJOVJGNP-UHFFFAOYSA-N 0 0 473.791 5.904 1 0 JKAFRN Clc1ccc(-c2nc(N3CCN(c4ccccn4)CC3)nc3c2CCc2ccccc2-3)c(Cl)c1 ZINC000045290626 563184860 /nfs/dbraw/zinc/18/48/60/563184860.db2.gz ZBWXORGSJMNPJV-UHFFFAOYSA-N 0 0 488.422 5.938 1 0 JKAFRN CCC(CC)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045290051 563184887 /nfs/dbraw/zinc/18/48/87/563184887.db2.gz LBKRAOWULMTPQY-NRFANRHFSA-N 0 0 468.044 5.111 1 0 JKAFRN COc1ccc(-c2c(-c3cc(F)ccc3OC)cn3c2-c2cc(OC)c(OC)cc2CC3)cc1 ZINC000045298818 563185175 /nfs/dbraw/zinc/18/51/75/563185175.db2.gz KUAXKYONTTWVPL-UHFFFAOYSA-N 0 0 459.517 6.219 1 0 JKAFRN O=c1cc(-c2ccccc2)nc2n(-c3ccccc3)nc(-c3ccc4c(n3)-c3ccccc3CCC4)n21 ZINC000045298572 563185212 /nfs/dbraw/zinc/18/52/12/563185212.db2.gz MUKAPJFWOUTBPG-UHFFFAOYSA-N 0 0 481.559 5.765 1 0 JKAFRN CC(C)(C)c1ccc2[nH]c3c(c2c1)CC(=O)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1-3 ZINC000045299497 563185261 /nfs/dbraw/zinc/18/52/61/563185261.db2.gz RZYATJZFRQBDLG-UHFFFAOYSA-N 0 0 463.408 7.529 1 0 JKAFRN CCC(CC)[C@@H](c1ccnn1-c1ccccc1)N(C)S(=O)(=O)c1ccc(Br)s1 ZINC000045299363 563185306 /nfs/dbraw/zinc/18/53/06/563185306.db2.gz QXCMHNSNDUJJHI-FQEVSTJZSA-N 0 0 482.469 5.494 1 0 JKAFRN CC(C)=CCC[C@@]1(C)CCc2c([C@@H]3CC(=O)c4c(O)c(CC=C(C)C)c(O)cc4O3)ccc(O)c2O1 ZINC000045299175 563185310 /nfs/dbraw/zinc/18/53/10/563185310.db2.gz YDKQMGVESZZFGP-QCDSWUKFSA-N 0 0 492.612 6.849 1 0 JKAFRN COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045300125 563185488 /nfs/dbraw/zinc/18/54/88/563185488.db2.gz FPPNIPNICUVDEC-UHFFFAOYSA-N 0 0 483.977 6.246 1 0 JKAFRN Cc1ccc(C)n1-c1c(C)c(C(=O)NCc2ccc(Cl)cc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000045300646 563185570 /nfs/dbraw/zinc/18/55/70/563185570.db2.gz GSAAVKPLIQVPLL-UHFFFAOYSA-N 0 0 487.818 6.478 1 0 JKAFRN CC(=O)N(C)c1ccc(C(=O)Nc2cccc(-c3cccc(-c4nc5c(cccc5C)[nH]4)c3)c2)cc1 ZINC000045301565 563185776 /nfs/dbraw/zinc/18/57/76/563185776.db2.gz SUUGIITUJUTMEJ-UHFFFAOYSA-N 0 0 474.564 6.440 1 0 JKAFRN O=C(NCc1cccc(F)c1)Nc1cccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)c1 ZINC000045301750 563185873 /nfs/dbraw/zinc/18/58/73/563185873.db2.gz SOWVTYVVAVZSRV-UHFFFAOYSA-N 0 0 454.480 6.497 1 0 JKAFRN O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045301798 563185886 /nfs/dbraw/zinc/18/58/86/563185886.db2.gz SZZCWLQNMXLZKR-QFIPXVFZSA-N 0 0 474.523 5.425 1 0 JKAFRN O=C(Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1)c1c[nH]cn1 ZINC000045302512 563186355 /nfs/dbraw/zinc/18/63/55/563186355.db2.gz ZRTGTHGCFHZHIJ-UHFFFAOYSA-N 0 0 453.449 5.953 1 0 JKAFRN O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(-c2cccc(-c3nc4cc(F)ccc4[nH]3)c2)c1 ZINC000045302738 563186646 /nfs/dbraw/zinc/18/66/46/563186646.db2.gz BXCPHRBCMVFUNL-UHFFFAOYSA-N 0 0 466.472 6.409 1 0 JKAFRN Clc1ccc(OC2CCC(Cn3ccnc3)(c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000045303035 563186942 /nfs/dbraw/zinc/18/69/42/563186942.db2.gz HSYZJOKPBXLLCB-UHFFFAOYSA-N 0 0 470.227 7.456 1 0 JKAFRN O=C(Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000045303060 563187022 /nfs/dbraw/zinc/18/70/22/563187022.db2.gz LIYFWCZEOJYTGO-UHFFFAOYSA-N 0 0 473.363 7.848 1 0 JKAFRN CO[C@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2cncc(-c3cccc(Cl)c3)c2c1 ZINC000045315187 563187328 /nfs/dbraw/zinc/18/73/28/563187328.db2.gz NWYPASVRRCFSSJ-HHHXNRCGSA-N 0 0 474.391 6.880 1 0 JKAFRN CO[C@@](c1cncn1C)(c1ccc(Cl)cc1)c1ccc2cncc(-c3cccc(Cl)c3)c2c1 ZINC000045315190 563187332 /nfs/dbraw/zinc/18/73/32/563187332.db2.gz NWYPASVRRCFSSJ-MHZLTWQESA-N 0 0 474.391 6.880 1 0 JKAFRN Cc1cc(N2CCCC2=O)ccc1-c1ccc(C(=O)N2CCC(Oc3cccc(Cl)c3)CC2)cc1 ZINC000045315952 563187430 /nfs/dbraw/zinc/18/74/30/563187430.db2.gz FHMCEDRWKACQDY-UHFFFAOYSA-N 0 0 489.015 6.126 1 0 JKAFRN NC(=S)Nc1cccc(OCCCCCN2CCN(c3ccc(C4CCCCC4)cc3)C2=S)c1 ZINC000045317433 563187612 /nfs/dbraw/zinc/18/76/12/563187612.db2.gz YJPKJSQJTCMDAB-UHFFFAOYSA-N 0 0 496.746 6.046 1 0 JKAFRN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)n2ncnc2N3C)cc1 ZINC000045317613 563187617 /nfs/dbraw/zinc/18/76/17/563187617.db2.gz RLLRTIHIPONYTN-NOZRDPDXSA-N 0 0 485.385 5.933 1 0 JKAFRN CN1c2ncnn2[C@H](c2ccc(Cl)cc2)C2=C1c1ccccc1O[C@H]2c1ccc(Cl)cc1 ZINC000045319536 563187934 /nfs/dbraw/zinc/18/79/34/563187934.db2.gz TVZQVERUCXVELL-VWNXMTODSA-N 0 0 461.352 6.169 1 0 JKAFRN FC(F)(F)c1cccc2c1ncc(C1N=NC(=S)N1c1ccccc1)c2NC1CCCCC1 ZINC000045320279 563187984 /nfs/dbraw/zinc/18/79/84/563187984.db2.gz HKRWITUQRFQVSA-UHFFFAOYSA-N 0 0 469.536 6.535 1 0 JKAFRN CCCn1c(SCCNC(=O)/C=C/c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000045321398 563188245 /nfs/dbraw/zinc/18/82/45/563188245.db2.gz PRRTVFALFIBHPD-VHEBQXMUSA-N 0 0 467.638 6.549 1 0 JKAFRN O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045322317 563188419 /nfs/dbraw/zinc/18/84/19/563188419.db2.gz IYVFJSPBASGCLF-UHFFFAOYSA-N 0 0 485.742 6.245 1 0 JKAFRN Cc1cc(CNC(=O)c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)on1 ZINC000045322446 563188448 /nfs/dbraw/zinc/18/84/48/563188448.db2.gz RSCSBYPRHMWGMQ-UHFFFAOYSA-N 0 0 482.487 6.204 1 0 JKAFRN COc1ccc(Nc2ncc3c(-c4cccc(NC(=O)Cc5cccc(O)c5)c4)c[nH]c3n2)cc1OC ZINC000045322448 563188537 /nfs/dbraw/zinc/18/85/37/563188537.db2.gz DNHYGGSDCRRLLQ-UHFFFAOYSA-N 0 0 495.539 5.273 1 0 JKAFRN O=C(Nc1ccccc1Oc1ccccc1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000045322496 563188578 /nfs/dbraw/zinc/18/85/78/563188578.db2.gz LTFUZVKMSGSLNQ-IBGZPJMESA-N 0 0 458.949 6.081 1 0 JKAFRN COc1cc2ncnc(Nc3ccc(OCc4ccccc4)c(C(F)(F)F)c3)c2cc1OC ZINC000045322989 563188655 /nfs/dbraw/zinc/18/86/55/563188655.db2.gz LJCPUSZOTHFZTF-UHFFFAOYSA-N 0 0 455.436 5.988 1 0 JKAFRN Cc1cccc2[nH]c(-c3ccc(-c4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)cc3)nc21 ZINC000045324197 563189095 /nfs/dbraw/zinc/18/90/95/563189095.db2.gz HBCRJTNFTVQGJK-UHFFFAOYSA-N 0 0 452.945 7.503 1 0 JKAFRN Cc1ncccc1C(=O)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045324295 563189136 /nfs/dbraw/zinc/18/91/36/563189136.db2.gz RSGVEYCCFULZIT-UHFFFAOYSA-N 0 0 472.470 6.871 1 0 JKAFRN O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCCCC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000045324433 563189182 /nfs/dbraw/zinc/18/91/82/563189182.db2.gz RMVRLUMSKXHSAF-UHFFFAOYSA-N 0 0 485.742 6.245 1 0 JKAFRN CC(=O)Nc1ccc(C(=O)Nc2cccc(-c3ccc(-c4nc5cc(F)ccc5[nH]4)s3)c2)cn1 ZINC000045334479 563189493 /nfs/dbraw/zinc/18/94/93/563189493.db2.gz BHHVRLLBHXUTJZ-UHFFFAOYSA-N 0 0 471.517 5.703 1 0 JKAFRN CC(C)(C)c1ccc2[nH]c(-c3ccc(C=CC(=O)NCc4cccc(C(F)(F)F)c4)cc3)nc2c1 ZINC000045334563 563189524 /nfs/dbraw/zinc/18/95/24/563189524.db2.gz MTYNLWLBTLQGIP-NTEUORMPSA-N 0 0 477.530 6.876 1 0 JKAFRN CC[C@H](C)NS(=O)(=O)c1ccc2nc(Nc3ccc(C)c(Cl)c3)n(C3CCCCC3)c2c1 ZINC000045334724 563189564 /nfs/dbraw/zinc/18/95/64/563189564.db2.gz QBOUPIAQQGNKQD-KRWDZBQOSA-N 0 0 475.058 6.324 1 0 JKAFRN Cc1cccc2[nH]c(-c3cccc(-c4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4)c3)nc21 ZINC000045334648 563189579 /nfs/dbraw/zinc/18/95/79/563189579.db2.gz BEPWWHVXEAJEFT-UHFFFAOYSA-N 0 0 452.945 7.503 1 0 JKAFRN Oc1ccc(CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1Cl ZINC000045334765 563189584 /nfs/dbraw/zinc/18/95/84/563189584.db2.gz QJIWYBXMZYLCFQ-UHFFFAOYSA-N 0 0 472.963 5.248 1 0 JKAFRN COc1cccc(Oc2nc3c4c5c(sc4nc(C)c3c(=O)n2-c2ccccc2)CCCC5)c1 ZINC000045335259 563189883 /nfs/dbraw/zinc/18/98/83/563189883.db2.gz JHZQACIYAZSMMZ-UHFFFAOYSA-N 0 0 469.566 5.984 1 0 JKAFRN O=C(CCc1cccnc1)Nc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045335886 563190139 /nfs/dbraw/zinc/19/01/39/563190139.db2.gz JQWVSVUGIRYHQY-UHFFFAOYSA-N 0 0 492.526 6.944 1 0 JKAFRN CN(C(=O)CCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000045335770 563190164 /nfs/dbraw/zinc/19/01/64/563190164.db2.gz XJMNVKBTLFJJPW-UHFFFAOYSA-N 0 0 452.782 5.161 1 0 JKAFRN NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2Cl)[nH]c1-c1ccc(Oc2ccccc2)cc1 ZINC000045336608 563190303 /nfs/dbraw/zinc/19/03/03/563190303.db2.gz JOZOFHBRNYEMRQ-UHFFFAOYSA-N 0 0 466.324 5.693 1 0 JKAFRN NC(=O)c1c(N)c(C(=O)c2cc(Cl)ccc2Cl)[nH]c1-c1ccc(Oc2ccccc2)cc1 ZINC000045336628 563190320 /nfs/dbraw/zinc/19/03/20/563190320.db2.gz DGKPUEYZDKUXSX-UHFFFAOYSA-N 0 0 466.324 5.693 1 0 JKAFRN CCC[C@@H](C)NC(=O)c1cnn(-c2ccc(C(C)(C)C)cc2)c1OCc1ccc(Br)cc1 ZINC000045337043 563190429 /nfs/dbraw/zinc/19/04/29/563190429.db2.gz KPBHPUHVIDJUBT-GOSISDBHSA-N 0 0 498.465 6.430 1 0 JKAFRN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1cc(Br)c(C)c(Br)c1 ZINC000045337169 563190441 /nfs/dbraw/zinc/19/04/41/563190441.db2.gz KKOSJFORDCFSAG-UHFFFAOYSA-N 0 0 498.602 6.413 1 0 JKAFRN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045338034 563190674 /nfs/dbraw/zinc/19/06/74/563190674.db2.gz UDORVKYQAIVFHJ-INIZCTEOSA-N 0 0 464.793 5.621 1 0 JKAFRN COc1ccc2c(c1)[nH]c1cc(OS(=O)(=O)c3cccc4c3cccc4N(C)C)c(C)cc12 ZINC000045338169 563190739 /nfs/dbraw/zinc/19/07/39/563190739.db2.gz 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SJBRRYZATMWGDA-QFIPXVFZSA-N 0 0 451.498 5.059 3 0 JKAFRN c1c(-c2cccc(OCc3ccccc3)c2)nn2ccc(NCc3ccc4c(c3)OCO4)nc12 ZINC000061905972 563210388 /nfs/dbraw/zinc/21/03/88/563210388.db2.gz LZPUBYMFZZHVTJ-UHFFFAOYSA-N 0 0 450.498 5.316 3 0 JKAFRN Cc1ccc(Cl)cc1-c1cc(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]n1 ZINC000061906242 563210428 /nfs/dbraw/zinc/21/04/28/563210428.db2.gz RJWDOZGNXCVOBK-UHFFFAOYSA-N 0 0 461.793 6.006 3 0 JKAFRN CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2c1N(C)CCCc1ccccc1 ZINC000061906608 563210525 /nfs/dbraw/zinc/21/05/25/563210525.db2.gz VSABCYDBQQCGSP-UHFFFAOYSA-N 0 0 469.589 5.176 3 0 JKAFRN COc1ccc(-c2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)c3occc32)c(C)c1 ZINC000061907130 563210548 /nfs/dbraw/zinc/21/05/48/563210548.db2.gz JKABBEPOTQNSQY-UHFFFAOYSA-N 0 0 450.516 5.041 3 0 JKAFRN CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061907788 563210669 /nfs/dbraw/zinc/21/06/69/563210669.db2.gz NFZNBNNICRBIEN-AREMUKBSSA-N 0 0 465.509 5.442 3 0 JKAFRN CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3cccc(C(F)(F)F)c3)cnc12 ZINC000061907770 563210679 /nfs/dbraw/zinc/21/06/79/563210679.db2.gz RNHHKXKVCIYLLB-UHFFFAOYSA-N 0 0 466.463 5.347 3 0 JKAFRN CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2cccc(Oc4ccccc4)c2)O3)cc1 ZINC000061907789 563210687 /nfs/dbraw/zinc/21/06/87/563210687.db2.gz NFZNBNNICRBIEN-SANMLTNESA-N 0 0 465.509 5.442 3 0 JKAFRN O=C(CCCc1ccccc1)N1CCC[C@H](c2cc(C(=O)Nc3ccccc3Cl)no2)C1 ZINC000061907614 563210691 /nfs/dbraw/zinc/21/06/91/563210691.db2.gz LGLVMMZNROUTCI-IBGZPJMESA-N 0 0 451.954 5.309 3 0 JKAFRN CCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C)C(=O)c1cccs1 ZINC000061908007 563210715 /nfs/dbraw/zinc/21/07/15/563210715.db2.gz PDGLMZMLFRCZLH-UHFFFAOYSA-N 0 0 488.396 5.803 3 0 JKAFRN O=C(CCc1ccccc1)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 ZINC000061908222 563210759 /nfs/dbraw/zinc/21/07/59/563210759.db2.gz QCEPVTXVSKLUQG-QFIPXVFZSA-N 0 0 486.399 5.598 3 0 JKAFRN O=c1c2cc(Cl)ccc2nc2n1-c1cc3ccccc3cc1C(=O)N[C@H]2Cc1ccccc1 ZINC000061921362 563211041 /nfs/dbraw/zinc/21/10/41/563211041.db2.gz DAWXWGIMHLYQOY-QHCPKHFHSA-N 0 0 451.913 5.220 3 0 JKAFRN CC1=N[C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@@H](OC(=O)CCCCCCC2)C(C)=N1 ZINC000013383665 571700223 /nfs/dbraw/zinc/70/02/23/571700223.db2.gz OEDAQCLCHGASNH-VEYUFSJPSA-N 0 0 474.686 6.532 1 0 endogenous,in-man JKAFRN CC1(C)CC(=O)[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000014617790 571716756 /nfs/dbraw/zinc/71/67/56/571716756.db2.gz FNRBOAGVUNHDIL-TXPPVAMDSA-N 0 0 456.711 6.320 1 0 endogenous,in-man JKAFRN CO[C@@H]1C=C2[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@@]2(C)[C@@]2(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]3(C)[C@@H]12 ZINC000014617363 571716814 /nfs/dbraw/zinc/71/68/14/571716814.db2.gz VKGXBRHZFJRMOC-UBKSXEDGSA-N 0 0 456.755 7.794 1 0 endogenous,in-man JKAFRN CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@](O)(C[C@H](O)[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]2C1 ZINC000014617322 571716823 /nfs/dbraw/zinc/71/68/23/571716823.db2.gz PVMLWBWORNCCPQ-YWNVPYDQSA-N 0 0 460.743 6.335 1 0 endogenous,in-man JKAFRN CO[C@H]1CC(C)(C)CC2=C3CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)CC[C@]21C ZINC000014617842 571716843 /nfs/dbraw/zinc/71/68/43/571716843.db2.gz JAQZKPHHLRTVCY-DPPXYMFWSA-N 0 0 472.754 6.910 1 0 endogenous,in-man JKAFRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@H]2CCC2=C4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000095619574 571798791 /nfs/dbraw/zinc/79/87/91/571798791.db2.gz IKRLOJLDFINHCU-PEPQJSAHSA-N 0 0 468.766 8.740 1 0 endogenous,in-man JKAFRN CC1(C)CCC(=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000095620011 571799229 /nfs/dbraw/zinc/79/92/29/571799229.db2.gz GGVUQGXIFKUXHY-CKGLFSFDSA-N 0 0 458.727 6.399 1 0 endogenous,in-man JKAFRN C/C1=C/CC[C@@]2(C)Cc3c(O)c(C(=O)CC(C)C)c(O)c(C=O)c3O[C@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000100772677 571816354 /nfs/dbraw/zinc/81/63/54/571816354.db2.gz JIUCFHYHXVNZMU-UEHLMNOCSA-N 0 0 454.607 6.241 1 0 endogenous,in-man JKAFRN CO[C@]12C=C[C@@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@H]12 ZINC000100773685 571818318 /nfs/dbraw/zinc/81/83/18/571818318.db2.gz SUQFTOPYIBMCAU-WIQYLFSASA-N 0 0 470.738 6.830 1 0 endogenous,in-man JKAFRN CO[C@@]12C=C[C@@H]3[C@@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]1(C)CC[C@@]1(CO)CC[C@@H](C)[C@@H](C)[C@@H]21 ZINC000100773683 571818334 /nfs/dbraw/zinc/81/83/34/571818334.db2.gz SUQFTOPYIBMCAU-KQZKVEJSSA-N 0 0 470.738 6.830 1 0 endogenous,in-man JKAFRN CC1(C)C[C@@H](O)[C@]2(CO)[C@@H](O)C[C@@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000100777746 571825065 /nfs/dbraw/zinc/82/50/65/571825065.db2.gz CTNHZEZBBGIUJB-YZKFCDHUSA-N 0 0 474.726 5.083 1 0 endogenous,in-man JKAFRN CC1(C)CCC(=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000261496025 571861890 /nfs/dbraw/zinc/86/18/90/571861890.db2.gz GGVUQGXIFKUXHY-OKNGPWLKSA-N 0 0 458.727 6.399 1 0 endogenous,in-man JKAFRN CC1=CC[C@@]2(CO)[C@@H]([C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O)[C@@H]1C ZINC000095620012 574417101 /nfs/dbraw/zinc/41/71/01/574417101.db2.gz SAJCKXGPHBRCAY-KDYNKMQASA-N 0 0 458.727 5.968 1 0 endogenous,in-man JKAFRN COC(=O)[C@@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@@H](C(=O)C(C)C)C1=O ZINC000100779488 574418861 /nfs/dbraw/zinc/41/88/61/574418861.db2.gz QVUJYADKXQKJHK-SBXDIWKWSA-N 0 0 458.683 7.041 1 0 endogenous,in-man JKAFRN Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCn3ccnc3)n2)s1 ZINC000014952202 581092887 /nfs/dbraw/zinc/09/28/87/581092887.db2.gz SJHDMDLDMVESHW-UHFFFAOYSA-N 0 0 467.986 5.195 1 0 JKAFRN Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 ZINC000101031110 581094544 /nfs/dbraw/zinc/09/45/44/581094544.db2.gz LVZOQUMLGOHFGL-NDEPHWFRSA-N 0 0 496.579 5.349 1 0 JKAFRN CCC(C)(C)C(=O)C(=O)N1[C@@H](C(=O)SCCC(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000027300443 581098003 /nfs/dbraw/zinc/09/80/03/581098003.db2.gz MQIFPPZRWWYMGO-GIFXNVAJSA-N 0 0 477.670 5.853 1 0 JKAFRN O=C1C[C@H](O)C[C@H](/C=C/c2c(-c3ccc(F)cc3)cc(-c3ccccc3)nc2C2CCCCC2)O1 ZINC000027656999 581098977 /nfs/dbraw/zinc/09/89/77/581098977.db2.gz RLORTZFLTXGQMX-ULYWAXSHSA-N 0 0 471.572 6.682 1 0 JKAFRN